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Contents Spis treści

Anthony R. Thornton, Thomas Weinhart, Vitaliy Ogarko, Stefan Luding MULTI-SCALE METHODS FOR MULTI-COMPONENT GRANULAR MATERIALS .............................. 197 Marta Serafin, Witold Cecot NUMERICAL ASPECTS OF COMPUTATIONAL HOMOGENIZATION .................................................... 213 Liang Xia, Balaji Raghavan, Piotr Breitkopf, Weihong Zhang A POD/PGD REDUCTION APPROACH FOR AN EFFICIENT PARAMETERIZATION OF DATA-DRIVEN MATERIAL MICROSTRUCTURE MODELS ..................................................................... 219 Marek Klimczak, Witold Cecot LOCAL NUMERICAL HOMOGENIZATION IN MODELING OF HETEROGENEOUS VISCO-ELASTIC MATERIALS ....................................................................................................................... 226 Balbina Wcisło, Jerzy Pamin NUMERICAL SIMULATIONS OF STRAIN LOCALIZATION FOR LARGE STRAIN DAMAGEPLASTICITY MODEL ...................................................................................................................................... 231 Andrzej Milenin, Piotr Kustra, Dorota J. Byrska-Wójcik THE MULTI-SCALE NUMERICAL AND EXPERIMENTAL ANALYSIS OF COLD WIRE DRAWING FOR HARDLY DEFORMABLE BIOCOMPATIBLE MAGNESIUM ALLOY .............................................. 238 Piotr Gurgul, Marcin Sieniek, Maciej Paszyński, Łukasz Madej THREE-DIMENSIONAL ADAPTIVE ALGORITHM FOR CONTINUOUS APPROXIMATIONS OF MATERIAL DATA USING SPACE PROJECTION ........................................................................................ 245 Wacław Kuś, Radosław Górski PARALLEL IDENTIFICATION OF VOIDS IN A MICROSTRUCTURE USING THE BOUNDARY ELEMENT METHOD AND THE BIOINSPIRED ALGORITHM ................................................................... 251 Krzysztof Muszka, Łukasz Madej APPLICATION OF THE THREE DIMENSIONAL DIGITAL MATERIAL REPRESENTATION APPROACH TO MODEL MICROSTRUCTURE INHOMOGENEITY DURING PROCESSES INVOLVING STRAIN PATH CHANGES ....................................................................................................... 258 Ewa Majchrzak, Bohdan Mochnacki IDENTIFICATION OF INTERFACE POSITION IN TWO-LAYERED DOMAIN USING GRADIENT METHOD COUPLED WITH THE BEM .......................................................................................................... 264

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Agnieszka Cebo-Rudnicka, Zbigniew Malinowski, Beata Hadała, Tadeusz Telejko INFLUENCE OF THE SAMPLE GEOMETRY ON THE INVERSE DETERMINATION OF THE HEAT TRANSFER COEFFICIENT DISTRIBUTION ON THE AXIALLY SYMMETRICAL SAMPLE COOLED BY THE WATER SPRAY ............................................................................................... 269 Michael Petrov, Pavel Petrov, Juergen Bast, Anatoly Sheypak INVESTIGATION OF THE HEAT TRANSPORT DURING THE HOLLOW SPHERES PRODUCTION FROM THE TIN MELT ..................................................................................................................................... 276 Sławomir Świłło AN EXPERIMENTAL STUDY OF MATERIAL FLOW AND SURFACE QUALITY USING IMAGE PROCESSING IN THE HYDRAULIC BULGE TEST ..................................................................................... 283 Szymon Lechwar SELECTION OF SIGNIFICANT VISUAL FEATURES FOR CLASSIFICATION OF SCALES USING BOOSTING TREES MODEL ............................................................................................................................ 289 Stanisława Kluska-Nawarecka, Zenon Pirowski, Zora Jančíková, Milan Vrožina, Jiří David, Krzysztof Regulski, Dorota Wilk-Kołodziejczyk A USER-INSPIRED KNOWLEDGE SYSTEM FOR THE NEEDS OF METAL PROCESSING INDUSTRY ........................................................................................................................................................ 295 Stanisława Kluska-Nawarecka, Edward Nawarecki, Grzegorz Dobrowolski, Arkadiusz Haratym, Krzysztof Regulski THE PLATFORM FOR SEMANTIC INTEGRATION AND SHARING TECHNOLOGICAL KNOWLEDGE ON METAL PROCESSING AND CASTING ........................................................................ 304 Jan Kusiak, Gabriel Rojek, Łukasz Sztangret, Piotr Jarosz INDUSTRIAL PROCESS CONTROL WITH CASE-BASED REASONING APPROACH ........................... 313 Krzysztof Regulski, Danuta Szeliga, Jacek Rońda, Andrzej Kuźniar, Rafał Puc RULE-BASED SIMPLIFIED PROCEDURE FOR MODELING OF STRESS RELAXATION ..................... 320 Sławomir Świłło EXPERIMENTAL APPARATUS FOR SHEET METAL HEMMING ANALYSIS ....................................... 326 Sławomir Świłło, Piotr Czyżewski AN EXPERIMENTAL AND NUMERICAL STUDY OF MATERIAL DEFORMATION OF A BLANKING PROCESS ................................................................................................................................. 333 Piotr Lacki, Janina Adamus, Wojciech Więckowski, Julita Winowiecka MODELLING OF STAMPING PROCESS OF TITANIUM TAILOR-WELDED BLANKS ......................... 339

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Andrzej Woźniakowski, Józef Deniszczyk, Omar Adjaoud, Benjamin P. Burton FIRST PRINCIPLES PHASE DIAGRAM CALCULATIONS FOR THE CdSe-CdS WURTZITE, ZINCBLENDE AND ROCK SALT STRUCTURES ........................................................................................ 345 Andrzej Woźniakowski, Józef Deniszczyk PHASE DIAGRAM CALCULATIONS FOR THE ZnSe – BESE SYSTEM BY FIRST-PRINCIPLES BASED THERMODYNAMIC MONTE CARLO INTEGRATION ................................................................. 351 Michal Gzyl, Andrzej Rosochowski, Andrzej Milenin, Lech Olejnik MODELLING MICROSTRUCTURE EVOLUTION DURING EQUAL CHANNEL ANGULAR PRESSING OF MAGNESIUM ALLOYS USING CELLULAR AUTOMATA FINITE ELEMENT METHOD ................. 357 Bartek Wierzba THE MIGRATION OF KIRKENDALL PLANE DURING DIFFUSION ........................................................ 364 Onur Güvenc, Thomas Henke, Gottfried Laschet, Bernd Böttger, Markus Apel, Markus Bambach, Gerhard Hirt MODELING OF STATIC RECRYSTALLIZATION KINETICS BY COUPLING CRYSTAL PLASTICITY FEM AND MULTIPHASE FIELD CALCULATIONS ............................................................. 368

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MULTI-SCALE METHODS FOR MULTI-COMPONENT GRANULAR MATERIALS
ANTHONY R. THORNTON1,2, THOMAS WEINHART1, VITALIY OGARKO1, STEFAN LUDING1 Multi-Scale Mechanics, Department of Mechanical Engineering, University of Twente, 7500 AE Enschede, The Netherlands 2 Mathematics of Computational Science, Department of Applied Mathematics, University of Twente, 7500 AE Enschede, The Netherlands *Corresponding author: a.r.thornton@utwente.nl
Abstract In this paper we review recent progress made to understand granular chutes flow using multi-scale modeling techniques. We introduce the discrete particle method (DPM) and explain how to construct continuum fields from discrete data in a way that is consistent with the macroscopic concept of mass and momentum conservation. We present a novel advanced contact detection method that is able of dealing with multiple distinct granular components with sizes ranging over orders of magnitude. We discuss how such advanced DPM simulations can be used to obtain closure relations for continuum frameworks (the mapping between the micro-scale and macro-scale variables and functions): the micro-macro transition. This enables the development of continuum models that contain information about the micro-structure of the granular materials without the need for a priori assumptions. The micro-macro transition will be illustrated with two granular chute/avalanche flow problems. The first is a shallow granular chute flow where the main unknown in the continuum models is the macro-friction coefficient at the base. We investigate how this depends on both the properties of the flow particles and the surface over which the flow is taking place. The second problem is that of gravity-driven segregation in poly-dispersed granular chute flows. In both these problems we consider small steady-state periodic box DPM simulations to obtain the closure relations. Finally, we discuss the issue of the validity of such closure-relations for complex dynamic problems, that are a long way from the simple period box situation from which they were obtained. For simple situations the pre-computed closure relations will hold. In more complicated situations new strategies are required were macro-continuum and discrete micromodels are coupled with dynamic, two-way feedback between them. Key words: coupled multiscale model, multi-component granular materials, Navier-Stokes equation, discrete particle simulations
1

1. INTRODUCTION Granular materials are everywhere in nature and many industrial processes use materials in granular form, as they are easy to produce, process, transport and store. Many natural flows are comprised of granular materials and common examples include rock slides than can contain many cubic kilometers of material. Granular materials are, after water, the second most widely manipulated substance on the

planet (de Gennes, 2008); however, the field is considerable behind the field of fluids and currently no unified continuum description exists, i.e. there is no granular Navier-Stokes style constitutive equations. However, simplified descriptions do exist for certain limiting scenarios: examples include rapid granular flows where kinetic theory is valid (e.g., Jenkins & Savage, 1983; Lun et al., 1984) and shallow dense flows where shallow-layer models are applicable

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by the contact model. flow obstacles and constrictions.g. Gray. it is possible to pre-compute the relations between the particle and continuum (micro-macro transition method). coexistence of static. in more complicated situations twoway coupled multi-scale modelling (CMSM) is required. DPM can be used to obtain the mapping between the microscopic and macroscopic parameters allowing determination of the macroscopic data without the need for a priori knowledge. – 198 – . Once these averaged parameters have been tuned via experimental or historical data. How to capture these elaborate interactions of sintering. (a) shows the idea for the micro-macro transition and (b) for two way coupled multi-scale modelling (CMSM). however. Therefore. Solid lines indicate the main steps of the method and dashed lines the verification steps. thus reducing computational expense and allowing simulation of complex granular flows. here. more research on a continuum description is required. surface contact properties.INFORMATYKA W TECHNOLOGII MATERIAŁÓW (e. Savage & Hutter. 2003. these mappings are referred to as closure relations (e.. 2013). For the micro-macro transition. it is not possible in this fashion to create a unified model capable of describing a new scenario. variations in density. nonuniform shape. Flows in both nature and industry show highly complex behaviour as they are influenced by many factors such as: poly-dispersity. a model tuned for one flow configuration often has no prediction power for another setup. With the recent increase in computational power it is now possible to simulate flows containing a few million particles. in arbitrary geometries.g. Weinhart et al. Thornton et al. it is computationally very expensive. by solving Newton's laws of motion for each particle (e. but.. For CMSM. Discrete particle methods (DPMs) are a very powerful computational tool that allows the simulation of individual particles with complex interactions. Continuum methods are able to simulate the volume of real industrial or geophysical flows. but have to make averaging approximations reducing the properties of a huge number of particles to a handful of averaged quantities. 1. these models can be surprisingly accurate. but. For the case of quasi-static materials the situations is even more complicated and. for 1 mm particles this would represent a flow of approximately 1 litre which is many orders of magnitude smaller than the flows found in industrial and natural flows. 2012). Bokhove & Thornton.g. discrete particle simulations are used to determine unknown functions or parameters in the continuum model as a function of microscopic particle parameters and other state variables. in size and density. 1012). arbitrary shapes. however. complex (nonspherical) shape. DPM is very powerful and flexibility tool. complex basal topography. The coupling is done in selective regions in space and time. 2012. breaking and cohesional particles. is an active area of research and many steps forward have recently been made. For problems COMPUTER METHODS IN MATERIALS SCIENCE Fig. In simple situations. 1989. Illustration of the modeling philosophy for the undertaken research. continuum and micro-scale models are dynamically coupled with two-way feedback between the computational models. and. steady and accelerating material.

often called the discrete element method. and the overlap is:    ijn  max 0. forces. We will focus on scenarios where simplifying approximations are made which lead to continuum models (still containing undetermined quantities) that are valid only in certain limits. we will briefly review three commonly used contact laws for almost spherical granular particles: linear spring-dashpot. and §7 future prospects and conclusions. §3 how to construct continuum fields from discrete particle data (how to perform the micro-macro transition). 2011). 2007). Hertzian springs and plastic models. the tangential force yields – 199 – COMPUTER METHODS IN MATERIALS SCIENCE Two particles are in contact if their overlap is positive. we will use the computationally more expensive two-way coupled models to simulate the flow. §5 DPM simulations with wide particle distribution. which for this investigation will be limited to gravity. and external forces. Since we are assuming that particles are almost spherical and only slightly soft. The relative distance between two particles i and j is rij = ri-rj. For large complex regions or globally complex problems. we will not take this approach.1. INTRODUCTION TO DPM In the discrete particle method. the contacts can be treated as occurring at a single point. The ultimate aim of this research would be to determine the unknowns (material/contact properties) in the contact law from a few standard experiments on individual particles. and the relative velocity normal is n is vij = vi . review the current steps we have made and discuss the future directions and open issues with this approach. mass mi. where a continuum solver is used everywhere. gravity-driven segregation of poly-dispersed granular material. see e. 1. velocity vi and angular velocity i. For the second problem. and tangential. For each contact model.e to close the model). c. Firstly.g. Newton's laws are solved for both the translational and the rotational degrees of freedom. §5 collision detection. f ijt . and small particle simulations are run each time the closure relations need to be evaluated. Different contact models exist for the normal. We then perform small scale periodic box particles simulations and use this data to determine unknowns in the continuum models (i. (Weinan. Outline It is possible to apply CMSM or micro-macro methods to completely general three-dimensional Cauchy mass and momentum equations and use the DPM to determine the unspecified constitutive relations for the stresses. The outline for the rest of the paper will be: §2 introduction to DPM. one can use a localised hybrid approach where a particle method is applied in the complex region and is coupled through the boundary conditions to a continuum solver (Markesteijn. however. where the unit point) is bij   d i  dij n   ˆ ij  ri  r j / rij . Our approach is illustrated in figure 1. the branch vector (the vector from the centre of particle i to the contact n ˆ / 2  2 . Here. It is then expected that this closed continuum model is able to simulate the flow of the same particles in more complex and larger systems. §6 micro-macro transition for segregating flows. we will consider shallow granular flows (of major importance to many areas of geophysics) and secondly. The normal and tangential relative velocities at the contact point are given by: .vj . The problem is fully determined by specifying the forces and torques between two interacting particles.INFORMATYKA W TECHNOLOGII MATERIAŁÓW that contain only small complex regions. the efficiency of DPM becomes an issue and a new algorithm will have to be considered. In this paper we discuss the approach we are taking. 2. and iterative approach can be used. For situations were this one-way coupled micro-macro approach fails. The idea is to obtain the particle material properties from small (individual) particle experiments and use this information to determine the parameters of the contact model for DPM simulations. The validity of this closed model will be investigated by comparing its results with both computationally expensive large-scale simulations and experiments. position ri. f ijn . Each particle i has diameter di. mig. §4 the micromacro transition for shallow granular flows.  1  d i + d j   rij    2  n ˆij  n ˆij vij   vij  n t ˆij  n ˆij  ωi  bij  ω j  b ji vij  vij   vij  n The total force on particle i is a combination of the normal and tangential contact forces fijn  fijt from each particle j that is in contact with particle i. when the tangential-tonormal force ratio becomes larger than a contact friction coefficient.

and the t second term ensures that δij remains normal to nij. 1982. 1986). There are many papers in the literature on how to go from the discrete to the continuum: binning micro-scale fields into small volumes (Irving & Kirkwood. since oscillations on the unn ) branch do not dissipate enerloading/reloading ( k2 (2) with spring constants kn. (Silbert et al. (Luding. one of the biggest challenges is how to obtain continuum fields from large amounts of discrete particle data. THE MICRO-MACRO TRANSITION For all multi-scale methods. Unlike n (Luding. This model is designed to model particles that are elastic. The only assumptions are that each particle pair has a single point of contact (i. We integrate the resulting force and torque relations in time using Velocity-Verlet and forward Euler (Allen & Tildesley. For the Hertzian case we modify the interaction force with: f n/t ij ( Hertz )   ijn d t fijn(/sd ) (4) see e. 2008. Shen & Atluri.g. in the normal direction a different spring constant is taken for loading and – 200 – . For a more detailed review of contact laws. Luding. 2012a) the normal. (Luding. 1950. 2001). for enk1n / k2 f ijn( sd ) . we use the coarse graining approach described by Weinhart et al. 2008. This models follows from the theory of elasticity and takes account of the full non-linear elastic response. even near the flow base.e. but dissipated with clearly defined coefficient of restitution.e. 2008): fijn( p ) ˆ ij  k1n ijn n  n e ˆ ij   k2  ij n  0  if if if n e k2  ij  k1n ijn n e k1n ijn  k 2  ij  0 n e k2  ij  0 (5a) t t f ijt ( p )  f ijt ( sd )   k t δij   t vij tc   kn   n  mij   2mij     2 (1) (5b) e n max n n max n with  ij   ij   ij 1  k1 / k2 and. However. forces are modelled with linear elastic and linear dissipative contributions. 2010).  ij is  max  ij   with the reduced mass mij = mimj/(mi + mj). Schoeld & Henderson. we give a short overview. kt and damping coefficients t n. the first term is the relative tangential velocity at the contact point. we refer the reader to (Luding. Goldhirsch. and tangential. Luding et al. averaging along planes (Todd et al. Walton & Braun. t t fijt( sd )   k t ij   t vij during contacts the dissipation is smaller than in the spring-dashpot case. (iii) the results are even valid for single particles as no averaging over groups of particles is required. the maximum overlap during the contact.INFORMATYKA W TECHNOLOGII MATERIAŁÓW and the particles slide. (2012b) as this is still valid within one coursegraining width of the boundary. 3. in general. Walton & Braun. t. 1986). 2001). Weinhart. (ii) it is neither assumed that the particles are rigid nor spherical. . 1989) with a time step t = tc = 50. or coarse-graining spatially and temporally (Babic. and its rate of change is given by: d t t t δij  vij  rij1  δij  vij  nij dt (3) COMPUTER METHODS IN MATERIALS SCIENCE In equation (3). 1995).: fijt   c fijn . 1997. then review in more detail the approach we prefer. see (Weinhart. δij . For the spring-dashpot case (Cundall & Strack. 2004. f ijt( sd ) . so that the normal coefficient of restitution is given by n = n . and. and we truncate the magnitude of the tangential force as necessary to satisfy unloading/reloading of the contact and no dash-pot is used i.g. Here. where tc is the collision time.. Here. we take k 2 to be constant. therefore. 2008. 2012a) for details. is gy. 2004. Luding. The elastic tangential displacement.g. The coarse-graining method has the following advantages over other methods: (i) the fields produced automatically satisfy the equations of continuum mechanics.. 2008). 1979.. for the plastic case (designed to capture small plastic deformation) we modify the normal force using the (hysteretic) elastic-plastic form of Walton and Braun e.. see e. hence: n ˆij   n vij f ijn( sd )  k n ijn n . Finally. the particle shapes are convex). the contact area can be defined to be zero at the initial time of contact.

and that collisions are not instantaneous. t) is defined by: p  r . mic. We will take the coarsegraining function to be a Gaussian: with the Einstein summation convention for Greek letters.t) is then defined as the ratio of momentum and density fields. As before. Momentum balance W  r  ri  t      r  r t  2  i  exp   3 2 2 w   2 w   1  (8) Finally.. see (Weinhart et al.2.t  = R3  W  r  r  t     r '. j. 3. The next step is to compute their temporal and spatial derivatives.e. we will calculate macroscopic fields pertaining to the owing particles only. all macroscopic variables will be defined in a way compatible with the continuum conservation laws. 2012b). Since we want to describe boundary stresses as well as internal stresses. Then after some algebra. respectively. Bold vector notation will be used when convenient. we will consider the momentum conservation equation with the aim of establishing the macroscopic stress field. Expressions (10) and (11) for the momentum p and the velocity V have already been defined. the microscopic mass density of the flow. t  (11) where (r) is the Dirac delta function and mi is the mass of particle i. Mass balance Vectorial and tensorial components are denoted by Greek letters in order to distinguish them from the Latin particle indices i. 2012b) for details. the desired momentum balance equations are written as:  r. It is clear that as w → 0 the macroscopic density defined in (8) reduces to the one in (7). The coarse-grained momentum density vector p(r.1. t. The macroscopic velocity field V(r.e. at a point r at time t is defined by: Next.. In general. Other choices of the coarse-graining function are possible. Notation and basic ideas 3. According to Goldhirsch (2010). we will consider how to obtain the other fields of interest: the momentum density vector and the stress tensor.:  p   V V      t   g   r r r (13) . Since we are interested in the flow. the particles are not too soft). and reach closure. 3. t dr ' mic i (9) where  is the stress tensor.3. the boundary interaction force density. but the Gaussian has the advantage that it produces smooth fields and the required integrals can be analysed exactly. The coarsegraining function can also be seen as a convolution integral between the micro and macro definitions. t  =  m v   t W  r  r  i 1 i i i Nf (10) where the vi ‘s are the velocity components of particle i. t    r. and the width w is the key parameter. Assume a system given by Nf owing particles and Nb fixed basal particles with N = Nf + Nb. has been included. t    mi  i 1 Nf (6) V  r . or surface traction density. the coarse-grained fields depend only weakly on the choice of function. as described in detail in (Weinhart et al.:  mic  r  ri  t     r . t  = p  r . i. From statistical mechanics. we arrive at the following expression for the stress: – 201 – COMPUTER METHODS IN MATERIALS SCIENCE with width or variance w. and g is the gravitational acceleration vector. t    mi W   r  ri  t    i 1 Nf (7)  p  0 t r (12) thus replacing the Dirac delta function in (6) by an integrable ‘coarse-graining’ function w whose integral over space is unity.INFORMATYKA W TECHNOLOGII MATERIAŁÓW replaced by a contact point (i. The following definition of the macroscopic density of the flow is used: It is straightforward to confirm that equations (7) and (10) satisfy exactly the continuity equation:   r .

. The expression for the energy is also not treated in this publication.(2010) by an additional term that accounts for the stress created by the presence of the base. Originally these models were derived from the general continuum incompressible mass and momentum equations. Further details about the accuracy of the stress definition (14) are discussed by Weinhart et al. 4. block and ash flows (Dalby et al.b and velocity components are u = (u. 1989. (e.. which in one-dimension are given by: h     hu    hv   0 t x y (16a) (16b)   g 2  2  hu      hu  K h cos    S x t x  2  COMPUTER METHODS IN MATERIALS SCIENCE 4. K. The strength of this method is that the spatially coarse-grained fields by construction satisfy the mass and momentum balance equations exactly at any given time. 2007). 2008). It has nonzero values only near the basal surface and can be introduced into continuum models as a boundary condition. shallow granular equations have been applied to analyse small-scale laboratory chute flows containing obstacles (Gray. Background where g is the gravitational acceleration. while the contribution from the interaction of particles i with a fixed particle k is distributed along the line from ri to the contact point cik = ri + bik. These closure relations can either be postulated (from theory or phenomenologically). shallow-layer models tend to be surprisingly accurate. j is spatially distributed along the contact line from ri to rj. Depthaveraging the mass and momentum balance equations and retaining only leading and first order terms (in the ratio of height to length of the flow) yields the depth-averaged shallow-granular equations. Our philosophy was to determine these unknown relations using Shallow-layer granular continuum models are often used to simulate geophysical mass flows. i 1 Nf i (14) Equation (14) differs from the results of Goldhirsch. 2001).y). the free-surface and base locations are given by z = s(x. Such shallowlayer models involve approximations reducing the properties of a huge number of individual particles to a handful of averaged quantities. and are thus an effective tool in modelling geophysical flows. using the long-wave approximation (Savage & Hutter.g.y) and z = b(x. or determined from experiments or DPM simulations.v.w)T. 2012) – 202 – . the ratio of the two diagonal stress components. debris flows (Denlinger & Iverson. between the granular materials and the basal surface over which it flows. the boundary interaction force density: t   fikW i 1 k 1 Nf Nb  r  cik  (15) is active. Moreover. Gray. 2003). and lahars (Williamset al. Bokhove & Thornton. . we will only consider flows over rough at surfaces where b can be taken as constant. 2007). irrespective of the choice of coarsegraining function. The contribution to the stress from the interaction of two flow particles i. closure relations need to be specified for three unknowns: the velocity shape factor. Despite the massive reduction in degrees of freedom made.1. The height of the flow is h = s . 2003. wedges (Hakonardottir & Hogg.. showing good quantitative agreement between theory and experiment. measuring the force applied by the base to the flow. including snow avalanches (Cui et al. Gray. There. Here. 2003). the x-axis downslope. as detailed by Weinhart et al.. In general.Gray. 2007) and contractions (Vreman. i i . respectively. In addition to these geological applications. and the friction. we refer the interested reader to (Babic. y-axis across the slope and the z-axis normal to the slope. . SHALLOW GRANULAR FLOWS for shallow variations in the flow height and basal topography.. u the depth-averaged velocity and the source term is given by:   u S x  gh cos   tan     u2 v2   Before these equations can be solved. 2005.INFORMATYKA W TECHNOLOGII MATERIAŁÓW      fij rij  W  r  ri  sbik  ds i 1 j 11 b ik ik  0 Nf Nf 1   f b i 1 k 1 Nf Nf W  r  r  sb  ds   m v  v W i ik 0 i 1 . We will consider flow down a slope with inclination . (2012b). dense pyroclastic flows. 2008). 1997). they are now used as a geological risk assessment and hazard planning tool (Dalby et al. (2012b). 2008)..

 The coefficient of restitution of the particles only affects. Detailed experimental investigations (GDR MiDi. and  change as a function of the contact friction between bed and owing particles. only a weak effect on and. Closure for K form flow is only possible at a single inclination. The chute is periodic and of size 20d10d in the xydirections. the particle size ratio  and even the type of contact law.INFORMATYKA W TECHNOLOGII MATERIAŁÓW small-scale periodic box simulations DPMs similar to the ones used by Silbert et al. The domain is periodic in x. 4. The main conclusion were:  The law (18) holds for the spring-dashpot. Silbert et al. plastic and Hertzian contact models  The properties of the basal particles have very little affect on the macroscopic friction. 4. where  is a fixed basal frictional angle. steady uni- This experimentally determined law has previously been shown to hold from DPM simulations (e. where  1 is the minimum angle required for flow. c.  1. Pouliquen. gravity direction g as indicated. The base was created from particles and roughness was changed by modifying the ratio of the size of base and flow particles. fixed particles (black) form a rough base while the surface is unconstrained.g. In the early models a constant friction coefficient was assumed (Hungr & Morgenstern. They also observed that the Froude number F = K fit  1  o   d1 d0 o u / gh cos   . In (Pouliquen & Forterre. and  2 is the maximum angle at which steady uniform flow is possible. 2001). .  = 1. the measured height hstop () of stationary material left behind when a owing layer has been brought to rest. 1989). inclination  = 24 and the diameter ratio of free and fixed particles. In this case flow particles are monodispersed. . we consider only the springdashpot contact model and looked at the closures across different basal surfaces (Weinhart et al. F   tan 1   tan  2   tan 1  h 1 Ad  F    (20) Fig. 2012a).. below which the flow arrests. Colours indicate speed: increasing from blue via green to orange. 2012a) we investigate how the parameters A. 1984. 1999. In the z-direction. From these relations you can show that the friction closure is given by:   h. 2004.3. (2001).30 . – 203 – COMPUTER METHODS IN MATERIALS SCIENCE . with inclination . 2. First the K was found to be linear in the inclination angle and independent of  (for all but the smooth base case of  = 0):  tan  2   tan   1     2 tan    tan 1  (18) where d is the particle diameter and A a characteristic dimensionless scale over which the friction varies. For these models. DPM simulation for Nf/200 = 17:5. K.  = tan . Pouliquen & Forterre. i. 2002). Initially.  The geometric roughness  is more important than the contract friction in the interaction law. was fitted to: hstop   Ad For the shallow layer theory presented in (16). see figure 2. 2012.. In (Thornton. is the ratio of two stress component K = xx/zz..e. 2002) for the flow over rough uniform beds showed that steady flow emerges at a range of inclinations. at time t = 2000. scaled linear with this curve: (17) F with d0 = 132 and d1 = 21. Savage & Hutter. Closure for  By far the most studies closure relation for shallow granular flows is the basal friction coefficient . Weinhart et al. and above which the flow accelerates indefinitely. not the friction angles. h   1     2 hstop   (19) where  and  are two experimentally determined constants.and y-directions.2. Below some of the main findings are summarized.  2. that is.  1 <  < 2.

5  hz  u  u 1    3    h  9. particle free regions and static mate2 u dz 1 s COMPUTER METHODS IN MATERIALS SCIENCE – 204 – . We observe a Bagnold velocity profile. Future directions We have now established closure relations for shallow-granular flows and the natural question of (21)   bs h the range of validity of closure relations derived udz  from this small steady periodic box simulations. howlines). and fit (h. it was observed that the vertical flow velocity structure contained three parts. b This closed continuum model has recently been implemented in an inhouse discontinuous Galerkin finite element package. The values of  as a function of height and angle. 2012a).5. Flow velocity profiles for varying height for 4000 particles and  = 1.) (dotted fine for simple flow scenarios. for case  = 1.. This comparison and verification set is represented by the dashed lines in figure 1. plug flow  = 1.and microscopic parameters can be found in (Thornton. 3/2   .INFORMATYKA W TECHNOLOGII MATERIAŁÓW Full details of the values of A. Bagnold profile  = 1:25 and lines profile  = ever. The results of this closed model are compared with computationally expensive full-scale DPM simulations of the same scenarios. a linear profile near the surface and a convex profile near the base [z < b1hstop()/h) with b1 =   4.  2. These were then fitted separately and from these fits the Fig. van der Vegt).42. for complex flow containing 1:5. we consider the closure the velocity shape factor. This was done in two steps: firstly. 2007. is shown in figure 4. 3. Weinhart et al. 4. . Shape factor  from simulations (markers). A series of test cases and currently being investigated include complicated features with contractions and obstacles. For comparison. and  as a function of both macro. This is the shape of the velocity profile with height and is defined as shape factor  was computed. Closure for  Finally. in the bulk.  1. hpGEM (Pesch. see figure 4 for details. It is anticipated that this closured continuum model will work Fig. 4. 2012.4.

The most commonly used method for contact detection of nearly mono-sized particles with shortrange forces is the Linked-Cell method (Hockney & Eastwood. Grids are ordered with increasing cell size so that h = 1 corresponds to the grid with smallest cell size. In the second ‘contact detection phase’ (subsection 5. 1981. and the last one is the associated level of hierarchy. sh < sh + 1. COLLISION DETECTION The performance of the DPM computation relies on several factors. i. 2011.).2) for every particle in the system the potential contact partners are determined. 2012). 5. This advanced contact detection algorithm is already implemented in Mercury (Thornton et al. L.1. Stadler et al. For a given number of levels and cell sizes. of points r  R d to a cell at specified level h:   r1   rd    M : (r. every particle p can be mapped to its cell: . 2. h  p    (23) where h(p) is the level of insertion to which particle p is mapped to. according to the particle size distribution.e. 5. Using the mapping M. where the cells are d-dimensional cubes. Algorithm The algorithm is made up of two phases. which we review here. The latter is limited whereas the former are not. If you were to undertake the task of collision detection in a naive fashion you would have to perform N2 checks were N is the number of particles.1.. In the first ‘mapping phase’ all the particles are mapped into a hierarchical grid space (subsection 5. it has been utilized since the beginning of particle simulations. a fully twoway coupled code will have to be developed. 2004. Every regular grid is associated with a hierarchy level h  1. h)  c =  . which include both the contact model and the contact detection algorithm. and  = amin/amax is the extreme size ratio. 2011). The flexibility of independent sh allows one to select the optimal cell sizes. to improve the performance of the simulations. Thatcher.. Ogarko & Luding. 5. 2007. the open-source code developed here. cp  M  rp .…. The performance difference between them is studied in (Muth. respectively. in contrast to contact detection methods which use a tree structure for partitioning the domain (Ericson.. The first d components of a(d + 1)-dimensional vector c represent cell indices (integers). An extensive review of various approaches to contact detection is given in Munjiza. 2000) where the cell sizes are taken as double the size of the previous lower level of hierarchy. 1999).1). 1999). Allen & Tildesley. which will be the case in the next problem considered.1. Due to its simplicity and high performance. the hierarchical grid cells are defined by the following spatial mapping. however. More discussion of problems associated with the development of this code can be found in chapter 7. 1993. 1997). It must be noted that the cell size of each level can be set independently.. Raschdorf & Kolonko. The collision detection of short-range pair wise interactions between particles in DPM is usually one of the most time-consuming tasks in computations (Williams & O'Connor. The level of insertion h(p) is the lowest level where the cell is big enough to contain the particle p: – 205 – COMPUTER METHODS IN MATERIALS SCIENCE where [r] denotes the floor function (the largest integer nor greater than r). hence sh + 1 = 2sh. Nevertheless. Every particle is characterized by the position of its centre rp and its radius ap.. 2012. and that is used for all the simulations in this paper. where L is the integer number of hierarchy levels. 2012). s  s   h   h  (22) The present algorithm is designed to determine all the pairs in a set of N spherical particles in a ddimensional Euclidean space that overlap. and is easily implemented in parallel codes (Form. Raschdorf & Kolonko. For differently-sized spheres. the Linked-Cell method is unable to efficiently deal with particles of greatly varying sizes (Iwai. Each level h has a different cell size sh  R.1. 1989). How to do this is explained by (Ogarko & Luding.1. M. this becomes impractical even for relatively small systems.. Mapping phase The d-dimensional hierarchical grid is a set of L regular grids with different cell sizes.INFORMATYKA W TECHNOLOGII MATERIAŁÓW rials it is likely to fail. and the geometrical intersection tests with them are made. 1993. amin and amax denote the minimum and the maximum particle radius. For this situation. This can effectively be addressed by the use of a multilevel contact detection algorithm (Ogarko & Luding.

particle B is mapped to the second level to the cell cB = (1. according to equations (23) and (24). and in its neighbour (surrounding) cells. … . i. and the small particles which are located in those cells are dark (green).. cp.INFORMATYKA W TECHNOLOGII MATERIAŁÓW h  p  c p  min h : sh  2rp 1 h  L   (24) In this way the diameter of particle p is smaller or equal to the cell size in the level of insertion and therefore the classical Linked-Cell method (Allen & Tildesley. the level h = 1 cells where that search has to be performed (for particle B) are marked in grey. 14. the axisaligned bounding boxes (AABB) of the particles (Moore & Wilhelms.5sh and ei is the standard basis forRd. The radius of the particle B is aB = 4 (a.1) are marked in grey. The first step is the contact search at the level of insertion of p. 5.1) to (5. each particle which was mapped to one of these neighbour cells is tested for contact with particle p.2.u. Only In this section we present numerical results on the performance of the algorithm when applied for bi-disperse particle systems. Performance test COMPUTER METHODS IN MATERIALS SCIENCE Fig.e. The search is done in the cell where p is mapped to.2.). for every particle pair which passed this test.). However. h  (25) where a search box (cube in 3D) is defined by rc = rp    d i 1 i e .e. In other words.6. (1999) the search region starts at cell (1. h  . two different sizes.u. Then. that in the method of Iwai et al. particle A is mapped to the cell cA = (4. thus avoiding double checks for the same pair of particles. as will be considered for the segregation case in the next section. first. d  . and cell sizes s1 = 3. This implies that the particle p will be checked only against the smaller ones.) and its position is rB = (10. one searches for potential contacts only at levels h lower than the level of insertion: 1  h < h(p).3.4). h) for which cistart  ci  ciend for all i  1. 5. performing such test first usually increases the performance. Since the system contains particles of only two different sizes. 2). the exact geometrical intersection test is applied (Particles p and q collide only if r p  rq < ap +aq.3. The search for potential contacts is performed in every cell c = (c1. using the classical Linked-Cell method (Allen & Tildesley. h(p). Figure 5 illustrates a 2-dimensional two-level grid for the special case of a bi-disperse system with amin = 3/2. 2. Any particle q from level h.. Define the cells cstart and cend at level h as c start : M  rc . The second step is the cross-level search. The first level grid is plotted with dashed lines while the second level is plotted with solid lines.. 1989). The cells where the cross-level search for particle B has to be performed from (1. A 2-dimensional two-level grid for the special case of a bi-disperse system with cell sizes s1 = 2amin = 3. The cross-level search for particle p (located at h(p)) with level h is detailed here: 1. since the diameter of the largest particle at this level can not exceed sh.1. one more layer of cells (which also includes particle A). Note. cd. i. For a given particle p. and cd 1  h  h  p  (26) where ci denotes the i-th component of vector c. i. the cell sizes of the two-level grid can be easily selected as the two diameters of each particle species. with  = ap + 0.e. and s2 = 2amax = 8 (a. and the search is done by looping over all particles p and performing the first and second steps consecutively for each p. In figure 5. half of the surrounding cells are searched. for some – 206 – . two hierarchy levels are sufficient here. To test two particles for contacts. with centre xq outside this box can not be in contact with p. where  is Euclidean norm. 1989) can be used to detect the contacts among particles within the same level of hierarchy. Correspondingly. h(q) = h.e. i. and s2 = 8. 1988) are tested for overlap. 1. to avoid testing the same particle pair twice. For such systems. Since the overlap test for AABBs is computationally cheaper than for spheres. Therefore. 2. Contact detection phase The contact detection is split into two steps. 5. 1). size ratio  = 8/3. and cend : M  rc .. 2. 1).

0. however. Shinbrot et al. Background Fig.8.7. secondly. every particle undergoes only translational motion (without rotation) and gravity is set to zero. as the different particles percolate past each other there is a Darcystyle drag between the different constituents (i. 6. N = 256 000 for  = 0.7 the speed-up exceeds unity and the use of the twolevel grid becomes advantageous.723. therefore. the small and large particles) and. 0. role on the flow dynamics Iverson.INFORMATYKA W TECHNOLOGII MATERIAŁÓW situations this may be not as efficient as the use of the single-level Linked-Cell method. 6.e. Except for the very special case of all particles being identical in density and size.7..635. the speed-up is increasing.e. We will focus on dense granular chute flows where kinetic sieving (Middleton. In both natural and industrial situations. The motion of particles is governed by Newton’s second law with a linear elastic contact force during overlap. 2003. particles falling into void spaces do not support any of the bed weight.4.e. 0. 0. Since the number of voids available for small particles to fall into is greater than for large particles. 0.2. 0. which is the ratio between small and large particle radius. using a statistical argument about the distribution of void spaces. segregation due to size-differences is often the most important (Drahun & Bridgewater. We use homogeneous and isotropic disordered systems of colliding elastic spherical particles in a unit cubical box with hard walls.. 0. the local void ratio fluctuates and small particles preferentially fall into the gaps that open up beneath them. 0. This distribution can be characterized by only one parameter. Gray and Thornton (2005) developed a similar model from a mixture-theory framework. 0. Their derivation has two key assumptions: firstly.1. Savage & Lun. Figure 6 shows the speed-up S of the two-level grid relative to the single-level grid (Linked-Cell method).  > 0. We consider a bi-disperse size distribution with the same volume of small and large particles.2 is   0. as we show below. Three independent runs were performed for every  and the average CPU time values are used for the calculation of S. 0. The considered systems have volume fraction close to the jamming density. 2012). 1983). For simplicity.9. respectively. Much higher speed-up is expected for  < 0. decreasing . 2011). 0. . The number of particles used is N = 128 000 for  > 0. the use of the two-level grid slightly (within 40%) slows down the performance of the algorithm. 1970.. 1999).6.631. 0. in this convention 0 <   1. The first model of kinetic sieving was developed by Savage and Lun (1988).665. segregation plays an important. 2012). For more details on numerical procedure and preparation of initial configurations see (Ogarko & Luding.3 and N = 768 000 for  = 0.4. The maximum speed-up of 22 is achieved in the case of the lowest considered  = 0. migrate towards the bottom of the flow and lever the large particles upwards due to force imbalances. 1988) is the dominant mechanism for particle-size segregation.642. 0. The speed-up S of the two-level grid relative to the single-level grid (Linked-Cell method) for bidisperse systems with different size ratios . the volume fraction of systems with  = 0. i. Later.2. Namely.e. For the influence of the volume fraction on the performance of the algorithm.5. segregation effects can be observed in granular materials. For similar sizes of particles.682. MICRO-MACRO FOR SEGREGATING FLOWS 6. see (Ogarko & Luding. as they are more likely to fit into the available space than the large ones. This was termed squeeze expulsion by Savage and Lun (1988). not sup- – 207 – COMPUTER METHODS IN MATERIALS SCIENCE . hence.703..652. i. 0.2. The small particles. but poorly understood. i. This is due to the overhead associated with cross-level tests. it follows that a higher percentage of the small particles will be falling and. The basic idea is: as the grains avalanche down-slope. With increasing difference in particle size.3. For  > 0. How the algorithm performs for polydisperse systems and how to select optimal cell sizes and number of levels for such systems is shown in (Ogarko & Luding. There are many mechanisms for the segregation of dissimilar grains in granular flows.

it should be noted that Dolgunin and Ukolov (1995) were the first to suggest this form. 0 = 0:5 (to within the volume of one large particle). It should be noted that  has been defined such that it is consistent with the original theory of Savage and Lun (1988). shear-rate. – 208 – . inclined at an angle of 25 to the horizontal. which ranges from 1 to infinity. at z ˆ and tom) and 1 (the top).as a function of the spatial ˆ. Therefore. y ˆ directions. such as: size-ratio. These in general will depend on flow and particle properties. In (27). and we will use DPM to investigate the dependence of Ps on the particle size ratio  = ds/dl. The two-particle segregation-remixing equation (Gray & Chugunov. with this definition only values between 0 and 1 are possible. Figure 8 shows a fit of equation (28) to the small particle volume fraction for several cases. The fit is performed using non-linear regression as implemented in MATLAB.35. slope angle. v ˆ and w ˆ are the base coordinate. y ˆ. by using phenomenological arguments. Gray and Chugunov (2006) showed that such y a solution takes the form:   1  exp  0 Ps    exp 0  z  Ps 1  exp    1  0  Ps   1  exp  0 Ps    exp 0  z  Ps (28) where Ps = Sr/Dr is the segregation Peclet number and 0 is the mean concentration of small particles. however. The simulations take place in a box. Ps. One of the weaknesses of the model is that it is not able to predict the dependence of the two parameters on the particle and flow properties. We limit our attention to small-scale DPM simulations. Therefore.21 is the saturation constant and Pmax = 7. Furthermore u the dimensionless bulk velocity components in the ˆ. In general. y ˆ . 2013). respectively. The Micro-Macro transition     ˆ    v ˆ    w ˆ   u ˆ ˆ ˆ tˆ x y z        Sr 1       Dr   ˆ ˆ ˆ z z z  (27) COMPUTER METHODS IN MATERIALS SCIENCE where Sr is the dimensionless measure of the segregation-rate. and investigate the final steady-states.INFORMATYKA W TECHNOLOGII MATERIAŁÓW porting any of the bed load. and ˆ is the downthe ‘hat’ a dimensionless variable. which is periodic in x and y. ˆ and z x The conservation law (27) is derived under the assumption of uniform porosity and is often solved subject to the condition that there is no normal flux of particles through the base or free surface of the flow.. 2011). especially considering there is only one degree of freedom. this segregation theory has been developed and extended in many directions: including the addition of a passive background fluid (Thornton et al. The t is reasonable in all cases. however. The base was created by adding fixed small particles randomly to a flat surface. (2006) and Dr is a dimensionless measure of the diffusive remixing. where the ratio of these parameters was determined from DPM simulations. In recent years. whose form in the most general case is discussed in Thornton et al. We will use the two-particle size segregation-remixing version derived by Gray and Chugunov (2006). that is independent of x ˆ .2. we are inter- Figure 7 shows a series of images from the DPM simulations at different times and values of  -1. 2006) the effect of diffusive remixing (Gray & Chugunov.3ds long. particle roughness. 2006) takes the form of a nondimensional scalar conservation law for the small particle concentration . ˆ and z coordinates x ested in a steady state solution to (27) subject to noˆ = 0 (the botnormal flux boundary condition. etc. 6. and the generalization to multi-component granular flows (Gray & Ancey. and time tˆ . periodic in the x and y-directions.e. The simulations are performed with 5000 flowing small particles and the number of large particles is chosen such that the total volume of large and small particles is equal. x ˆ normal to ˆ the cross-slope and z slope coordinate. i. Here are summarized the main results of (Thornton.  is used to indicate a partial derivative.. 2006). From these plots it is possible to obtain Ps as a function of  -1 and this was found to be given by: 1  Ps  Pmax 1  exp   k   1    (29) where k = 5. This solution represents a balance between the last two terms of (27) and is related to the logistic equation. we will present the results in terms of  -1. is 5ds wide and 83. The bi-dispersed segregation remixing model contains two dimensionless parameters. Ps will be a function of the particle properties. material properties.

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Fig. 7. A series of snapshots from the DPM simulations with large (orange) and small (blue) particles. The rows correspond to distinct particle sizes and columns to different times. Along the top row  -1 = 1.1, middle row  -1 = 1.5 and bottom row  -1 = 2; whereas, the left column is for t = 1, middle t = 5 and right t = 60.

simulation data and the blue lines are the fit to equation (28) produced with MATLAB’s non-linear regression function. For the fit only Ps is used as a free parameter. Dotted lines shows the 95% confidence intervals for the fit.

6.3.

Future directions

For the segregation case the micro-macro transition has been shown to be useful in establishing the relations between the parameters that appear in the continuum descriptions and the material parameters of the particles. Additionally, in this case, we highlighted a discrepancy between the particles simulations and theory, see figure 8, i.e. the inflection point near the base in the simulation concentration profiles. Further analysis of the simulation data has shown that this discrepancy arises because the particle diffusion is not constant with depth, as assumed

by the model. Therefore, for this situation the model has to be improved to capture the full dynamics in these situations. From a modeling point of view one of the opentopic at the moment is the determination of segregation shallow-water models, see e.g. (Woodhouse, 2012), but this is beyond the scope of this review. 7. CONCLUSIONS AND FUTURE PERSPECTIVE Here, we have shown that continuum parameters such as the macroscopic friction can be accurately

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ˆ f . The black lines are the coarse-grained DPM Fig. 8. Plots of the small particle volume fraction  as a function of the scaled depth z

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extracted from particle simulations. We have shown that the micro-macro transition can be achieved using small particle simulations, i.e., we can determine the closure relations for a continuum model as a function of the microscopic parameters. Here, this one-way coupling from micro- to macro-variables was achieved for steady uniform flows, but can in principle be used to predict non-uniform, timedependent flows, provided that the variations in time and space are small. Comparisons with large-scale experiments and large DPM simulations are needed to determine the range of parameters for which the steady uniform closure laws hold, as indicated in figure 1a. However, for strongly varying flows, such as arresting flows, avalanching flows, flow near boundaries or near abrupt phase changes (dead zones, shocks), no closure relations in functional form are known. Ideally, the full 3D granular flow rheology could be determined in the full parameter space and then introduced into a pure continuum solver. However, since the parameter space is just too wide and situations can and will occur that are not covered by a systematic parameter study, other strategies and approaches can be thought of. For such interesting situations, where the rheology enters unknown regimes, or where changes are too strong and/or fast, a two-way coupling to a particle solver is a valid approach. If these complex regions are small, one can use a two-way boundary coupling, where a particle solver is used in the complex region and a continuum solver in the remaining domain, with an overlapping region where both solvers are used and where the two methods are coupled by using suitable boundary conditions (Markesteijn, 2011). Alternatively, if the complex regions are too large to be solved by particle simulations, one can use a continuum solver where a small particle simulation is run each time the closure relations need to be evaluated (Weinan et al., 2007). This particle simulation is two-way coupled to the continuum solution in the sense that it has to satisfy the parameters set by the continuum solution (such as height, depth-averaged velocity and depth-averaged velocity gradient and boundary conditions) and return the closure relations (such as friction and velocity shape factor). Both alternative strategies provide plenty of unsolved challenges in communicating between discrete and continuous "worlds" concerning nomenclature, parameters, boundary conditions and their respective control.

The next versions of both the in-house continuum solver hpGEM (van der Vegt et al.) DPM code Mercury (Thornton et al.), are designed such that they can be easily coupled and hence used to form the basis of a granular two-way coupled code. Acknowledgements. The authors would like to thank the late Institute of Mechanics, Processes and Control, Twente (IMPACT) for the primary financial support of this work as part of the research program “Superdispersed multiphase flows". The DPM simulations performed for this paper are undertaken in Mercury-DPM, which was initially developed within this IMPACT program. It is primarily developed by T. Weinhart, A. R. Thornton and D. Krijgsman as a joint project between the Multi-Scale Mechanics (Mechanical Engineering) and the Mathematics of Computational Science (Applied Mathematics) groups at the University of Twente. We also thank the NWO VICI grant 10828, the DFG project SPP1482 and B12 the Technology Programme of the Ministry of Economic Afairs (STW MuST project 10120) for financial support. REFERENCES
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aby model był spójny z makroskopową zasadą zachowania masy i pędu. Viscosity.. 233-269. J.R. van der Vegt. theory and simulation. O. http://www2. Stinton. Granular Matter. D. T... Pressure tensor for inhomogeneous fluids.. P. która może być wykorzystana do wieloskładnikowych materiałów sypkich o rozmiarze cząstek zmieniających się w zakresie rzędów wielkości. Todd. O. 2012 COMPUTER METHODS IN MATERIALS SCIENCE – 212 – . 709. 1999. Vanden-Eijnden. To umożliwiło rozwój modeli kontinuum zawierających informację o mikrostrukturze materiałów sypkich bez potrzeby robienia dodatkowych założeń. Phys.J. W pracy omówiono również problem dokładności i poprawności opisanych wzajemnie dopełniających się zależności dla złożonych problemów dynamicznych.R. Li. J. Williams.. J. A. Woodhouse. 578. R. Discrete particle method . and stress calculations for shearing assemblies of inelastic.. Journal of Volcanology and Geothermal Research. Heterogeneous multiscale methods: a review.. 1986. 1995.. Pierwszym jest płynięcie w płytkim zsypie. van Sint Annaland.. Johnson.. D. A. O.R.. Daivis. Weinhart. Zaprezentowano też nową metodę wykrywania kontaktu. Weinan.. 543-580. Friction dependence of shallow granular flows from discrete particle simulations.R. aby otrzymać realistyczne. Weinhart. Na początku omówiono metodę dyskretnych cząstek (ang. 2008. 2007..J. 760-766.. C. Supercritical shallow granular flow through a contraction: experiment. JFM. M. Letts. T. W pracy badano jak ten współczynnik zależy od własności przepływających cząstek i powierzchni.R. A. granular temperature. Submitted to Int. Drugim analizowanym problemem jest segregacja przy zsypie polidyspersyjnych cząstek.. 2012. 531-552.. bardziej zaawansowane rozwiązania. Rev.. O’Connor.. Thornton. A. W obydwu analizowanych problemach rozważono krótkie okresy stacjonarne w symulacji DPM. Ren.. WIELOSKALOWE METODY DLA WIELOSKŁADNIKOWYCH MATERIAŁÓW ZIARNISTYCH Streszczenie W artykule przedstawiono postęp w zrozumieniu przepływu przesypywanych materiałów ziarnistych.R. T.. hpgem.J.. Phys.J. 30 (949). Bokhove.INFORMATYKA W TECHNOLOGII MATERIAŁÓW the discrete particle method. w których makrokontinuum i mikro dyskretny model są połączone w sposób dynamiczny ze sprzężeniem zwrotnym.. Walton. Bokhove.. 52(2).DPM) i wyjaśniono w jaki sposób należy konstruować ciągłe pole na podstawie dyskretnych danych tak.B. 6 (4). Williams. Bokhove.F. dla których te zależności były otrzymywane. E. From discrete particles to continuum fields near a boundary. J. 289-294. R. 1240014. Thornton.. Segregation induced fingering instabilities in granular avalanches.. A. frictional disks. 23(8). jaki został ostatnio osiągnięty dzięki technikom modelowania wieloskalowego.M.. Thornton. 2007. Luding. S.nl/athornton/hpGEM/. A. 177. S. 14. 2012a. 2013. W.ctw. 2012b. M. C. Evans. wzajemnie dopełniające się zależności opisujące ciągłe własności materiału. Kokelaar. W bardziej skomplikowanych sytuacjach potrzebne są nowe. Closure relations for shallow granular flows from particle simulations. O. Dla prostych przypadków zastosowanie zdefiniowanych wzajemnie dopełniających się zależności dawało poprawne wyniki. 367450. J. gdzie główną niewiadomą w modelu kontinuum jest makro współczynnik tarcia. Discrete element simulation and the contact problem.N. 14. M.M. Thornton.. Journal of Rheology.. Kuipers. A. A. Vreman. Problemy te są odległe od omówionych wcześniej rozwiązań dla krótkich okresów stacjonarnych. Engquist.R.R... Submitted to Eurp.. O. względem której cząstki przepływają.. Bokhove.. JFM. Evaluation of the Titan 2D two-phase flow model using an actual event: Case study of the vazcun valley lahar. B. O.. E. 2012 Accepted: November 21. E. 279-304. Al-Tarazi. Przejście mikro-makro przedstawiono dla dwóch problemów płynięcia materiału sypkiego. Received: September 20... 2012 Received in a revised form: November 4.W. Pokazano jak zaawansowane symulacje DPM mogą być zastosowane do uzyskiwania zależności dla modelu ciągłego (mapowanie zmiennych i funkcji między skalami mikro i makro).msm. Thornton... X. Luding. Mod. P.utwente.L. Bokhove. Braun. Phys. S.. Gray. M.. Granular Matter. Luding.T. 2 (3). Sheridan. Communications in Computational Physics.. Archives of Computational Methods in Engineering. Weinhart.W.

Approach that we use is based on two-scale micro/macro analysis. 2 NUMERICAL ASPECTS OF COMPUTATIONAL HOMOGENIZATION MARTA SERAFIN*.e. where homogenization cannot be used and the hp-mixed FEM discretization details.edu. the efficiency and accuracy of the analysis are still not trivial issues.COMPUTER METHODS IN MATERIALS SCIENCE Informatyka w Technologii Materia ł ów Publishing House AKAPIT Vol. In the macro-scale the material is assumed as a homogeneous with the effective material parameters obtained during RVE analysis. Warszawska 24. that is crucial for determination of parts of the body. The coupling between both scales is provided at the selected macro-level points. The stability of this approach is a difficult task (Arnold et al. 2012).. adaptive finite element method. 13. INTRODUCTION Even though numerical homogenization speeds up solution of real-life problems for heterogeneous materials the time of computation may be very large. 2007) but efficient and stable hp-mixed FEM is possible if appropriate weak formulation and shape functions are used. 2004) without loosing its accuracy.. It is well known that the method gives the fastest convergence for linear problems. automatic hp-adaptive FEM that enables a user to obtain error-controlled results in rather short time. i. mixed FEM 1. assessment of homogenization error. 2003. In the micro-scale heterogeneous properties are collected in so-called representative volume elements (RVE). which are small enough to satisfy separation scale condition.pk.. In order to increase reliability of the results the error of homogenization is estimated (Cecot et al.pl Abstract Computational homogenization enables replacement of a heterogeneous domain by an equivalent body with effective material parameters. representative volume element. rather than by derivatives of displacements. Since stresses are of primary interest we decided to use the mixed FEM. which are associated to independent RVE. Gitman. 31-155 Kraków *Corresponding author: mserafin@L5. Therefore. 2002). ul. Kouznetsova et al. Even though such a homogenization significantly reduces the time of computation.. 2013. we discuss in this paper certain numerical aspects that should increase efficiency of computational homogenization (Feyel. No. The paper presents application of one of the most efficient numerical techniques. We propose assessment of homogenization error by additional analyses in selected subdomains with boundary conditions determined by the homogenized solution. Residuum of the differential equa- 213 – 218 ISSN 1641-8581 . Key words: homogenization. 2006. but also large enough to contain all information about material heterogeneity. 2012) and it may be used both at the micro and macro-levels. WITOLD CECOT Cracow University of Technology. approximation of solution in the whole domain is performed. in which stresses are approximated directly. especially if nonlinearity is accounted for. In the micro-level it is required to guarantee accurate representation of heterogeneity and at both scales the optimal number of degrees of freedom should be used. Then. Numerical analysis is performed by the automatic hp-adaptive version of FEM (Demkowicz et al. We have confirmed that one may expect the same situation for inelastic problems (Serafin and Cecot.

∏ . ω M . denoted here for the sake of brevity by that serves as a substitute for the exact solution. In this paper convergence of hp adaptation strategy for elastic-plastic problems is examined for twoscale modeling and some modifications of the algorithm are proposed. Material parameters are collected in table 1. More precisely plane strain problem with the Mises yield condition. RVE. elastic-plastic zone was successfully detected. and . This automatic mesh adaptation was successfully used for various linear problems. where only algebraic convergence may be obtained. Zero and constant loading (220 MPa) were applied at the top and right edges. The aforementioned interpolation error is estimated making use of a fine mesh solution ( / . 1.INFORMATYKA W TECHNOLOGII MATERIAŁÓW tion for heterogeneous body may also be used as another criterion for detection of subdomains with large discrepancy between the exact and homogenized solutions. (1) Hardening coefficient (GPa) with additional assumption that the mesh is oneirregular. Comparison of meshes obtained by original and modified hp – 214 – . are considered. 2007. which is a place of lower solution regularity. Boundary conditions. N are the numbers of degrees of freedom in optimal and current meshes. However. ADAPTIVE FINITE ELEMENT METHOD In this paper automatic hp-adaptive finite element method.g. ∏ . A quarter of the domain was considered (figure 1). Such an ''exact'' solution is interpolated locally by the possible new hp-refined meshes. respectively. where M . Material parameters Young modulus (GPa) Poisson ratio Yield strength (MPa) inclusion 300 0. Its main adventage is exponential convergence.3 300 30 matrix 100 0. elastic and plastic zones. for coercive problems by the Cea's lemma. Table 1. Its key point is an appropriate strategy of anisotropic h. For large problems computation of the fine mesh solution may be time-consuming. inelastic deformations should be accounted for in a special way in a-posteriori error estimates in order to obtain appropriate stress approximation accuracy. specified in figure 1. denote arbitrary and the optimal new meshes. The maximization is performed by search over a suitable subset of all possible hp refinements for every coarse mesh element. Both materials underwent elastic-plastic deformations. Material parameters. (2002) is based on the interpolation error estimate. It means that for the coarse mesh the optimal (h. (2002). M . the refinement in To verify the efficiency of automatic hp-adaptive FEM for inelastic problems RVE with cylinder-like inclusion was analyzed. Fig. which contained both elastic and plastic parts. p or hp mesh refinement. Nopenetration boundary conditions were assumed on the left and bottom sides. According to literature (Barthold et al. Such an algorithm is called here modified (automatic) hp-refinement. p or hp) refinement is determined by maximizing the following expression both h and p is performed and the optimal mesh is selected by maximization of the function ω defined by equation (1). is the upper bound for the actual approximation error. which is a good upper bound of the best approximation error that in turn. Thus. ). After additional h-refinements of elements. 1998. Additional h-refinement is proposed along elastic-plastic interface. only partially convergent solution obtained by e. Cecot. )..3 200 10 COMPUTER METHODS IN MATERIALS SCIENCE ω ∏ ∏ . respectively. 1996). 2. normality rule with kinematic hardening and boundary conditions. is used for numerical analysis. the algorithm of adaptation approach starts with the solution of the problem on the current (coarse) mesh ( / . denote H projection-based interpolants on the current and optimal meshes. The strategy proposed by Demkowicz et al. a fast two-grid solver may be used to guide the optimal hp-refinement. Gallimard. proposed by Demkowicz et al. The difference between and its interpolant approximates the interpolation error and the optimal anisotropic mesh refinement is determined in such a way that the reduction of the interpolation error per number of additional degrees of freedom is maximal. Then. . N . max ω M . superior to h and p adaptation techniques.

where homogenization is based on evaluation of stress in the micro-scale. ∀ ∈ L Ω. On the basis of this and other. However. K where M is the space of second order. stable mixed finite elements for solid mechanics are very difficult to construct.ξ y. ∀ ∈ L Ω. Such approximation of stresses is useful in multiscale computations. The RVE with square-like inclusion in plane strain state was considered as a benchmark for the proposed mixed approximation. Simulation of tension was performed and this way effective material parameters were computed.u dΩ Ω τ. τ:C-1 σ dΩ Ω Ω divτ. RVE.002GPa and 200GPa. that if we use both methods with small number of degrees of freedom we are NDOF = 21048 NDOF = 54052 Fig. such that: – 215 – COMPUTER METHODS IN MATERIALS SCIENCE .. One may also use formula obtained by Piola transformation that gives the following stress shape function possessing the same properties x. respectively. not presented here. In this example inclusion was much weaker than the matrix (Young modulus: 0.b dΩ (2) q.ξ x. but not necessary symmetric tensors.3). in which stress tensor symmetry is enforced in a weak way (Arnold et al.σ dΩ 0 Ω ∀ ∈ H div. J stands for Jacobi matrix of transformation between those elements. Convergence of effective Young modulus obtained by classical FEM (displacement formulation) and mixed method (displacement-stress formulation) is compared in figure 6. Fig.η y.ξ /detJ (4) σx = 0 0 The main difference between both formulas is in definition of degrees of freedom (traction in normal/tangent or x/y directions). One may use a modified Hellinger-Reissner principle. MIXED FINITE ELEMENT METHOD Mixed method enables independent approximation of at least two fields.ξ x. 3. Mesh after 40 steps of original and 20 steps of modified hp-refinements (grey scale indicates order of approximation). V . The problem has the following form: find ∈ L Ω. even though elastic-plastic interface is not detected in accurate way. Poisson ratio for both materials: 0. One may observe. Qiu & Demkowicz. Deformations were only in elastic range. They have to provide symmetry of stress tensor and continuity of only traction across interelement boundaries. Convergence of error norm. K is the space of skewsymmetric tensors. ds v.η -y. x and y are coordinates of physical element. 2007. Ω. Ω.ξ y. Comparison of traction components continuity of approximation by equations (3) and (4) is shown in figure 4.η where ξ and η denote coordinates of master element. 2009). RVE. V and ∈ L Ω. A quarter of the domain was taken into account (figure 5) with appropriate boundary conditions. 2. M . examples one may conclude that the original automatic hp algorithm works well for inelastic problems.η /detJ (3) σx = -x. Convergence history is presented in figure 3.INFORMATYKA W TECHNOLOGII MATERIAŁÓW algorithm is shown in figure 2. K ∈ H div. M .divσ dΩ Ω Ω v. The example of a tensor shape function that enables obtaining continuous tractions at every point of element interfaces may have the following form x.p dΩ ∂Ω τn.ξ y. 3. rather than all the stress components.

1978). are identified based on a postprocessing step on the homogenized solution. it is not able to capture local error. The proposed algorithm of homogenization error estimation may be stated in the following way: 1) compute effective material parameters for homogenized domain.INFORMATYKA W TECHNOLOGII MATERIAŁÓW able to evaluate effective value with a good accuracy as an average of both solutions. Here. it may happen that the homogenization should not be used for certain part of the domain. No-penetration boundary 3) solve the boundary value problem for cut-off conditions were assumed on the left and bottom sides. Boundary conditions. since this issue is essential for reliability of the results. Subsequently. Fig. One is based on the solution of heterogeneous problem in selected subdoFig. 6. A global explicit estimate using the homogenized (coarse) elasticity tensor and the actual fine-scale elasticity tensor was proposed by Zohdi et al. Babuska & Rheinboldt. mation analysis of macrostructures. In that method the adaptation zones that correspond to regions with high strain-gradients. 4. Another possibility is based on residuum. A scale adaptation strategy developed by Temizer and Wriggers (2011) was used to account for loss of accuracy for the finite defor- ditions resulted from homogenized solution. 1987. without intermediate models. Traction components continuity. assumed on the basis of homogenized solution. 4) estimate the error between solution uI and homogenized one u0 in subdomain . by analogy to the explicit residual error indicator for FEM solution (Babuska & Miller. MODELING ERROR ESTIMATION Replacement of a heterogeneous body by a homogenized one with effective material parameters introduces an error. RVE. 2) select a part of the body. COMPUTER METHODS IN MATERIALS SCIENCE Fig. 4. where the error should be estimated and consider heterogeneous material in this subdomain. (1996). other possibilities of modeling error estimation are presented. for critical zones. Such an error estimate consists of a few steps: 1) compute the homogenized solution u0 in domain Ω.mains with boundary conditions tions evaluated for stress fields of adjacent elements along this edge. Thus. The arrows along the common edge denote trac. related to incomplete information about the microstructure. – 216 – . Effective Young modulus. exact microstructural representation is introduced. 5. Zero and heterogeneous subdomain A with boundary conconstant loading were applied at the top and right edges. obtain the solution uI and consider it in a smaller truncated part of the selected heterogeneous domain . However.

R. homogenization should not be used. are shown in figure 7.e. Estimated error for displacements is as follows ‖u u0 ‖0. D. 12.INFORMATYKA W TECHNOLOGII MATERIAŁÓW 2) solve homogenized problem with effective properties to obtain u0 . 1699-1723. components ( where ∂ denotes common edge of adjacent elements and ∂ stands for material (m1. 61. Babuska.13% The residual modeling error estimate was also used for this example. 5.. where denotes stands for stress tensor (in fact. Assumed boundary conditions. body forces.N. Prospects of both approaches were positively verified by solution of selected numerical examples. Babuska. Engng. Mech. Miller. Winther. will be used in further applications of the approach in modeling of elastic-plastic composites Acknowledgment. as well as material distribution. on the basis of residual error estimate. Appl. presented in this paper. distributed uniformly.. 1987. Automatic hp refinements enables obtaining a mesh that captures all the details of heterogeneity in selected subdomains. A. 76. 4) compute jumps of tractions at interfaces of finite on ∂ ) and material elements ( on ∂ ⊂ ∂ ). New material distribution after excluding. – 217 – COMPUTER METHODS IN MATERIALS SCIENCE . REFERENCES Arnold. m2) interfaces. I. Fig. may be bounded by the norms of regular part of and jumps of the first derivatives of the solution). A part of the domain (reentrant corner of Lshaped domain – figure 8) was selected and estimation by subdomain solutions was used. Engng. CONCLUSIONS The paper presents application of two efficient numerical techniques. which should not be homogenized (figure 9). 3) compute residuum R of equilibrium equation div for heterogeneous body in each macro-scale finite element. Meth.. Boundary displacements for cut-off heterogeneous domain A resulted from homogenized solution. 7. Residuum in each macroelement of homogenized body was calculated and error indicators were evaluated.. Part 1. which we are interested in. Assumed admissible error enables selection of subdomains. L-shaped domain. two subdomains from homogenization and appropriate FE mesh (gray scale indicates order of approximation). Mixed finite element methods for linear elasticity with weakly imposed symmetry. This research was supported by the National Science Center under grant 2011/01/B/ST6/07312. J. Fig.B 0. 1978..B ‖u0 ‖0. 1597-1615. 8. I.. Fig.C. 9. Rheinboldt. 2007. R. Int. i. In order to obtain reliable results the error introduced by homogenization was estimated giving information about quality of the results. Falk. A feedback finite element method with a posteriori error estimation. Numerical improvements of computational homogenization. Num. L-shaped domain with homogeneous and heterogeneous subdomains. W. The metal matrix was reinforced by cylinder-like inclusions. L-shaped domain. 1-40.. its norm. The L-shaped domain in plane strain state was considered to perform numerical tests. Meth. Boundary conditions and material distribution. 5) wherever ηR h‖R‖0 h1/2‖Je ‖0 h1/2‖Jm‖0 is large. Mathematics of Computations. Comp. Error estimates for adaptive finite element computations. is a distribution. automatic hp mesh adaptation and mixed approximation for inelastic two-scale analysis.

niezbędnego do wyznaczenia obszarów. J. 2639-2661. 196. Appl.. Engrg.. W pracy zastosowano dwie efektywne techniki numeryczne.. powiązanymi z niezależnymi RVE. 2007. W. Zohdi. M. Size of a representative volume element in a second-order computational homogenization framework. W. 2012. M.. Cecot. Stein. W publikacji zawarto również możliwości oszacowania błędu homogenizacji.. 2011. Error indicators and mesh refinements for finite-element-computations of elastoplastic deformations. Int. 201 COMPUTER METHODS IN MATERIALS SCIENCE – 218 – . Oden. Error estimation and adaptivity in elastoplasticity. Qiu.. Rodin. 138. F. Engrg.. W. Adaptive FEM analysis of selected elasticvisco-plastic problems. Reliability of computational homogenization. Methods Appl. I... Mech. A fully automatic hp-adaptivity.. w których homogenizacja nie powinna być stosowana ze względu na zbyt duży błąd. Schmidt. 2012 Accepted: November 9. I.. równocześnie na tyle duży. Gallimard. t. Rachowicz. M. Temizer.. 225-238. P. 273-298. 2012. Numer.. która pozwala na uzyskanie wiarygodnych wyników w stosunkowo krótkim czasie oraz sformułowanie wielopolowe pozwalające uzyskać możliwie dokładną aproksymację naprężeń. 200. 39. Mech. Comp. Comp.. International Journal for Multiscale Computational Engineering. będących głównym celem obliczeń. E. Engng. 2. 127-155. reprezentatywnym elemencie objętościowym (RVE). Cecot. 3859-3870. Brekelmans. 2003.. Appl. aby informacje o wszystkich niejednorodnościach zostały w nim zawarte.j. F. Meth. Comput. W ten sposób redukowany jest czas obliczeń. J. W skali mikro rozważa się materiał niejednorodny w tzw. W skali mikro niezbędne jest dokładne odzwierciedlenie mikrostruktury. Meth. A multilevel finite element method (FE2) to describe the response of highly non-linear structures using generalized continua.. Transfer informacji między skalami dokonywany jest w wybranych punktach skali makro. Ladeveze. Klimczak. a w obu skalach optymalnej liczby stopni swobody. W. Feyel.. Podejście to bazuje na analizie w dwóch skalach – mikro i makro.. Comput. P.... Engng. 189-217. 17. Mech. 2009. Mixed hp-finite element method for linear elasticity with weakly imposed symmetry. Representative Volumes and Multi-scale Modelling of Quasi-brittle Materials. PhD thesis. 2012 Received in a revised form: October 31.T. Hierarchical modeling of heterogeneous bodies. Cecot. Mech. L. V. NUMERYCZNE ASPEKTY HOMOGENIZACJI OBLICZENIOWEJ Streszczenie Homogenizacja komputerowa pozwala na zastąpienie materiału niejednorodnego przez ośrodek jednorodny z efektywnymi parametrami materiałowymi. Computational Mechanics. żeby zapewnić separację skal. Serafin. Kouznetsova. Received: September 20.. L. 192. Geers. Wriggers. ISBN 978-83-7242-667-3. Engng. Gitman. 2004. J. W skali makro zakłada się materiał jednorodny z efektywnymi parametrami materiałowymi otrzymanymi z analizy RVE. Meth. W. T.. który jest na tyle mały. Następnie dokonywana jest aproksymacja rozwiązania w skali makro. Demkowicz. 575598. Mech..I. 2002. Devloo.. 22. W. Pelle. 3233-3244. 1996. Comput. International Journal for Numerical Methods in Engineering (submitted).. Journal of Scientific Computing..INFORMATYKA W TECHNOLOGII MATERIAŁÓW Barthold. 3682-3701. International USPoland Workshop: Multiscale Computational Modeling of Cementitious Materials.P. Methods Appl. M.. 198. 1998.. Ph. Methods Appl. 1996. Delft University of Technology. jednak należy zagwarantować poprawność uzyskanych wyników. Engrg. Serafin. An adaptive multiscale resolution strategy for the finite deformation analysis of microheterogeneous structures. hp-adaptacyjną wersję metody elementów skończonych. 2006. G. Self hp-adaptive FEM for elasticplastic problems.. Demkowicz. M.J. L. 183-194.

Xi’an. functionally graded materials. INTRODUCTION The constant increase of computing power coupled with ever-easier access to high-performance computing platforms enable the computational investigation of realistic multi-scale problems. China *Corresponding author: piotr. storage costs. homogenization. a reducedorder parameterized representation is formulated. To perform a multi-scale analysis involving these materials. UTC. WEIHONG ZHANG2 2 Laboratoire Roberval.breikopf@utc. it becomes essential to include the effects of the microstructure variation when modeling the structural behavior. the progress in material science allows us to control the material microstructure composition to an unprecedented extent. which could be directly usable in multi-scale finite element procedures.COMPUTER METHODS IN MATERIALS SCIENCE Informatyka w Technologii Materia ł ów Publishing House AKAPIT Vol. On the other hand. similar to those encountered in computer vision image processing and statistical data analysis. NPU. France Engineering Simulation and Aerospace Computing (ESAC). Key words: parameterization of microstructure. the analysis of the dimensionality of the resulting nonlinear space yields the minimal set of parameters needed in order to represent the microstructure with sufficient precision.first. Compiègne. Next a common basis is determined for the entire set of microstructure snapshots. 13. The material microstructure varies in a much smaller length scale than the actual structural size. We showcase this approach by constructing a low-dimensional model of a two-phase composite microstructure. we propose a three-stage reduction algorithm combining Proper Orthogonal Decomposition (POD) and Proper Generalized Decomposition (PGD). BALAJI RAGHAVAN1. Typical examples include polycrystalline materials. UMR 7337 UTC-CNRS. 2 A POD/PGD REDUCTION APPROACH FOR AN EFFICIENT PARAMETERIZATION OF DATA-DRIVEN MATERIAL MICROSTRUCTURE MODELS LIANG XIA1.fr Abstract 1 The general idea here is to produce a high quality representation of the indicator function of different phases of the material while adequately scaling with the storage requirements for high resolution Digital Material Representation (DMR). No. porous media. Finally. 2013.2. each snapshot pixel/voxel matrix is decomposed into a linear combination of tensor products of 1D basis vectors. This problem. To this end. voxel approaches. PIOTR BREITKOPF1*. one must first construct models of the microstructure variations to be used as input in the subsequent parameterized analysis. and multiphase polymers. requires the right projection space in which the set of snapshots generates ISSN 1641-8581 219 – 225 . material uncertainties 1. In order to accurately predict the performance of structures employing such new materials. This analysis may be performed in order to answer questions such as: how does microstructure affect the structural behavior? What particular microstructure yields the desired performance? How do the inherent material uncertainties propagate at the structural level? Given a set of 2D/3D geometrical instances (snapshots) of the Representative Volume Element (RVE) generated from a priori known information about feasible microstructure topology.

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a low-dimensional manifold that can then be fitted by a parametric hyper-surface. Basically, the parameterized representation of the material microstructure may be split into two major steps: 1. Low-dimensional model construction of various material properties within the RVE, 2. Using this model as an input to the Finite Element analysis at the RVE level. The work introduced in this paper utilizes the available sources of information about the variability of the microstructure to construct a set of possible realizations of the material internal structure and mechanical properties. This initial data may be provided by numerical models (Voronoi diagrams, cellular automata,…) or may be experimentally obtained by using imaging techniques: computer tomography (CT), magnetic resonance imaging (MRI), etc. (Ghosh & Dimiduk, 2011). This set of instances – called snapshots, is mapped into a lowdimensional continuous space that spans all the admissible variations permitted by the experimental data. By exploring this low-dimensional equivalent surrogate space, one is essentially sampling over the parameterized space of material topology variations that satisfy the (simulated) experimental data. This low-dimensional representation is subsequently used as an input model in the finite element analysis either via a mesh or a voxel-based variant of finite element model at microstructural scale. The major advantage of this approach is a significant reduction in complexity due to the analysis in a lowdimensional space and results in a drastic reduction in the critical memory requirement. This representation may then be used in FE2type multi-scale analysis (Feyel, 2003), in continuous optimization procedures (Sigmund & Torquato, 1997) or within a stochastic framework to include the effects of the input uncertainties at the material level in order to understand how they propagate and affect the performance of the structure (Velamur Asokan & Zabaras, 2006). The literature reveals little investigation into developing parameterized material representations. Ganapathysubramanian and Zabaras (2007) used Principal Component Analysis (PCA) to represent data-driven representation of the property variations of random heterogeneous media. A general framework has been proposed by Raghavan et al. (2010) for POD-based shape representation by separating the space variables and the design variables in the space optimization context. In this paper, an exten-

sion of this technique for material microstructures is made by separating the space variables. The overall goal is to linearly scale the storage requirements in order to cope with the ever-increasing resolution of microstructural snapshots. The paper is organized in the following manner: section 2 presents the general description of the overall problem. POD and PGD-POD approaches are introduced in Section 3 and 4, respectively. Section 5 compares the reconstruction errors obtained in using the two approaches based on the approximation on a defined two-phase periodic microstructure media. The paper ends with concluding comments and suggestions for future work. 2. PROBLEM DESCRIPTION Consider a material sample defined by a realvalued continuous N × N or discrete density map s  s  x, y , v defined over a square, periodic domain  = [0,1] × [0,1] and depending on a set of (possibly unknown) parameters (design variables) v p . The problem addressed is how to identify a smallest set of design variables given a set of M snapshots (instances, realizations, samples or images) of the microstructure. The snapshots are given by N × N matrices S k , k  1 M such that

S k  i , j  s x n i , y n  j , v k  , i, j  1 N with xn , y n
defining a regular grid of data points. 1. POD MODEL OF THE MICROSTRUCTURE Consider a set of discrete 2D snapshots Sk, k = 1…M. Each snapshot matrix is stored in a column vector sk of length N2. The full set of snapshots is stored in an N2 × M matrix s1  s  s M  s  , cenM tered around the mean snapshot s   k 1 s k M . The

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interpolation may be performed using standard 2D finite element shape functions   x, y .

  x, y, v k    T  x, y s k s

(1)

The snapshot matrix may be decomposed by Singular Value Decomposition (SVD)

s1  s  s M  s   UDVT

(2)

with the U and V matrices containing respectively the left and right singular vectors. Taking a (reasonable) assumption that M  N 2 , we define a projection basis composed of the first m

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left singular vectors   1 m   U 1: N ;1: m . An arbitrary centered snapshot is approached by

 k  s   k ,  k   T s k  s  s

(3)

The relative Frobenius norm of reconstruction error of the whole matrix of snapshots is

 k  s k  s k   1 s k  s   kM  T  k 1 s k  s  s k  s  M M 2 i i i m1 i  i  m 1  i F  M M i i i 1 i i 1 i2 F
M T

(4)

(7)

  x, y, v   T  x, y s   i i v  s
i 1

m

The dimension of Ek is now mx × my, decided by the dimensions of the two basis: mx of  and my of  , the process of basis extraction is given afterwards (equation10-13). For an arbitrary point x , y of the snapshot, we can rewrite equation (6)

s  x, y   i  x, y  i v
i 1
T T

m

(5)

  x, y, v k   s  x, y + T  x Ek  T   y  s
s  x, y +   Ei , j v k i  x j  y
i 1 j 1 mx m y

(8)

with s x, y   x, y s and i x, y   x, yi .
The storage requirements for this approach are m  N 2  m  M which may be a problem when the resolution of the grid increases. This is even more critical when extending the approach to 3D with the

where s  x, y   T  x S  y , i  x   T  x  i and

 j  y   T  y j . For arbitrary value of design and

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so for dropped off modes i, i = m + 1,…,M the error is given explicitly by the sum of corresponding diagonal entries i of D, squared. It is thus possible to build a mapping giving for each microstructure instance generated by a set of design variables v p , a unique image   m . There are however two problems to be solved:  an arbitrary   m does not necessarily yield an v p ,  the dimension of p is not a priori known. Both problems are to be addressed here by building a manifold of admissible microstructures. This is done locally for a snapshot by analyzing the local dimensionality of the space spanned by the coefficient vectors  k . The interpolation of coefficients is then formulated as a minimization problem constrained by manifolds of admissible shapes. Combining the above with the spatial interpolation functions, we express s = s(x,y,v) for an arbitrary value of design variables not belonging to the initial set and at any point in  , possibly not on the grid. The bi-level representation allows us to separate the space variables x and y from the design variables v. Assuming that the basis vectors, defined at the grid points, are constant and that only the coefficients  k depend on the design variables, we rewrite equation (1)

storage becoming m  N 3  m  M , which is definitely not scalable as for N = 1024 and M = 100 some 800GB (considering 8 byte floating point numbers) are necessary for the modes only and for N = 4096 and M = 1000, with ~50TB memory which goes well beyond the capacity of current workstations. The second problem concerns the sensitivity of the modes with respect to the order in which matrix terms are rearranged into a vector. Therefore, there is a clear need for an approach not requiring renumbering of the matrix entries and scaling better with increasing resolution. The proposed algorithm is presented in the next section. 2. “PGD-POD” MICROSTRUCTURAL MODEL WITH SEPARATED SPACE VARIABLES In the previous section, an interpolation form separating design variables from the space coordinates is proposed. In this section, a further separation is performed to the individual space dimensions x and y. Given an N  N grid of sampling points and a matrix snapshot of the density map S k  i , j  s xn i , yn  j , v k  , i , j  1 N , the spatial interpolation of s x, y , v k  is

  x, y, v k    T  x S k  y s

(6)

by means of the standard 1D finite element shape functions  x and   y . Instead of rearranging the matrix snapshots Sk into a column vector sk and performing SVD directly on the data set, the idea is to transform each snapshot Sk to matrix Ek of reduced dimensions in terms of two separate basis  and  .

 k  S  E k  T S

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space variables, the continuous model may now be expressed as

  x, y, v  s    Ei , j vi  x j  y s
i 1 j 1

mx m y

(9)

Such a 1D approximation in each direction thus transforms every N × N snapshot Sk into a mx × my compressed matrix Ek. The process of extraction of the two separate basis  and  is introduced in the following. We start by the truncated SVD decomposition of each individual snapshot

this approach into 3D, the storage requirement would decrease drastically from m × N3 + m × M to mx  m y  mz   N  m  mx  m y  mz  m  M . The reconstruction error of all snapshots in this approach is calculated in a similar way as in equation (4). Note that, two factors, mx and my in the basis extraction and m in SVD reduction of [e1…eM], actually influence the reconstruction error in this approach. 5. PARAMETERIZATION OF A TWO-PHASE RVE In this section, a comparison is given for both proposed approaches on a commonly analyzed periodic two-phase microstructure pattern as shown in figure 1. Snapshots of such a pattern could be utilized to model various types of materials and we have a list of them in table 1. The periodic snapshot is defined by two parameters controlling the radii of two groups of circular inclusions. 500 snapshots of resolution 256×256 are randomly generated for a local approximation.
Table 1. List of possible material types. Material Type Porous Aluminum Reinforced Alloys Fiber Composites Reference Kouznetsova et al. 2001 Ghosh et al. 2001 Zeman and Sejnoha 2001 Nguyen et al. 2010

S k  S  U k Dk VkT

(10)

where only the first mk left and right singular vectors corresponding to the first mk largest singular values are calculated. Next, we arrange all sub-matrices U k 1: N ;1: mk  and Vk 1: N ;1: mk  into two
N  m1    mM  matrices

U*  U1 1: N ;1: m1 U M 1: N ;1: mM  and V*  V1 1: N ;1: m1 VM 1: N ;1: mM 

(11)

and we apply SVD separately to U* and V *
T T U*  UU DU VU and V*  UV DV VV

(12)

The two separate basis  and  are composed of the first mx and my left singular vectors from UU and from UV , respectively.

  1 mx   UU 1: N ;1: mx  and

   1  m y   UV 1: N ;1: m y 

(13)

Quasi-brittle Materials

Thereafter, the matrices Uk and Vk in equation (10) may be now be approximated in terms of the two separate basis  and 

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 k  A k , A k   T U k and V  k  B k , B k   T Vk U (14)

Substitute above into equation (10) and we have equation (7) where matrix Ek  A k Dk BT k is the only term depending on the design variables. Once Ek are obtained, a similar approximation approach is followed to that in section 3. Transforming Ek to column vector ek of length mx × my, SVD reduction is performed on a full set mx × my × M matrix [e1…eM]. Then a new mapping connection is built between each microstructure v p and the coefficients   m calculated by SVD on [e1…eM]. The storage requirements for this approach are mx  m y   N  m  mx  m y  m  M which is significantly less than m × N2 + m × M. When extending

Fig. 1. Two-phase, two-parameter microstructure snapshots.

5.1.

POD approach

SVD is performed directly on the data set. From figure 2, it can be seen that the α’s form a set of twodimensional manifolds rather than a cloud of points in 3D space regardless of the particular triplet of modes used, clearly indicating that the design domain is parameterized by two parameters t1, t2, as is known in priori. This means that α1 = α1(t1, t2), α2 = α2(t1, t2).... The surfaces formed by α’s could be interpreted as the set of all possible “constraints” (direct geometric constraints, technological con-

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e. the average number of modes is reduced to 122. m1 = m2 = … = mM = 256. i. By setting mx = my = 180. 2D α-Manifolds for the data set. 99. which indicates the microstructure has two parameters and also maniBy extracting basis vectors in both directions. now within a reduced assume mx = my and the errors versus mx and my are storage requirement. new microstructure snapshot could be generated parametrically in a reduced dimension by taking the surface coordinates t1 and t2 as design variables. Reconstruction errors versus mx and my in case of square marked curve in figure 3. Such a reduction makes the SVD in equation (13) and (14) a little bit more effective as shown in the curve marked with triangles. given in figure 3. The manifolds formed by the β’s (see figure 5) is similar to 5. 3. Note that. Only the case retaining Fig. Reconstruction errors versus mx  m y in three cases. 2. POD is performed on the reduced data set of E’s.9% projection error is considered for each snapshot SVD. In the next step. The curve with data points marked using circles gives the error when retaining 100% projection energy. Fig.. are considered and obviously. Figure 4 shows the reconstruction error versus mx and my chosen independently.INFORMATYKA W TECHNOLOGII MATERIAŁÓW straints. but an original error of 1% is introduced at the same time (when mx = my = 256).9% projection energy and the average number of retained modes is about 147.. we and t2 as design variables. mx doesn’t have to equal my. Three curves correspond to cases that different number of modes are retained after the SVD on each snapshot. squares is the result of retaining 99. The curve with the data points marked using – 223 – COMPUTER METHODS IN MATERIALS SCIENCE . This means that a further reduction in storage requirement may be achieved by choosing mx and my independently. the data set of 256×256 matrices S’s is transformed to reduced 180×180 matrices E’s with an introduced error of 4%. PGD-POD approach that in the previous approach.2. The dimension of the data set is reduced from 2562×500 to 1802×500. especially when anisotropic materials Fig. 4. fests the fact that PGD maintains the interrelationeach snapshot matrix S is firstly transformed to reship among snapshots. Therefore. the RVE considered here is anisotropic. The microstructure can be duced matrix E. When 99% projection energy is retained. etc. that are difficult to be expressed mathematically). For clearer visualization of the reparameterized again by taking surface coordinates t1 construction error in the basis extraction process.

additional investigations may be conducted into the prediction and optimization of material properties using microstructures. Kouznetsova. from left to right: Original Snapshot. 2010.INFORMATYKA W TECHNOLOGII MATERIAŁÓW Fig.P. POD reconstructed and PGD-POD reconstructed. is calculated by equation (4). Springer.. 3233-3244.. A comparison of the reconstruction errors obtained using the two approaches is given in this section. Ganapathysubramanian. 2001. Int. Lloberas-Valls. CONCLUSIONS AND PERSPECTIVES A three-stage model reduction scheme combining Proper Orthogonal Decomposition (POD) and Proper Generalized Decomposition (PGD) has been developed to build a reduced order model for the efficient parameterization of material microstructures. On the existence of representativevolumes for softeningquasi-brittlematerials – A failure zone averaging scheme. L. K. B. Ghosh. 6. M. is calculated similarly with a presupposition of retaining mx = my = 180 in the PGD process. Considering an error of 20%. Sluys. Figure 6 shows that the two curves match each other. 226.. 5.T. Modeling diffusion in random heterogeneous media: Data-driven models. 7. The proposed model maintains the high quality of the reconstructed microstructure snapshots with a significantly reduced storage requirement compared to the traditional POD model. REFERENCES Feyel F.. Thereafter. 38. Mech. Eng. S. Comput.. 6.. then the numbers of modes needed for the two approaches are close to each other. 27. J. Comput. Comput. 326-353. F. Dimiduk. D. 2007. COMPUTER METHODS IN MATERIALS SCIENCE Fig. varying in a similar trend except for the red curve converging to zero while the blue curve converges to a value of 4% due to the reduction in the PGD process. V.. 192.A..M. 5. Fig. Comparison of the reconstruction errors similar result in a much less storage requirement compared to POD approach. 199. The result of the reconstruction is shown in figure 7. 2011. V. The curve marked with squares. error in POD approach. O.. The reconstruction errors of the two approaches. The curve marked with triangles. Comparison of the reconstructed snapshots. Lee. 37-48. S. Methods Appl. Nguyen. With a reduced order model of this type. error in PGD-POD approach. 2001. Raghavan. P. Acknowledgement.. The authors acknowledge the support of OSEO in the scope of the FUI OASIS project F1012003Z.3.J.. 2D β-Manifolds for the reduced data set. A multiscale finite element method (FE2) to describe the response of highly non-linear structures using generalized continua. Stroeven. Comput. Baaijens.. Solids Struct. Figure 6 plots the two error curves against the number of retained modes in both approaches... W. Mech. Mech. Zabaras. N. If the expected reconstruction error is no less than 10%.P. A multi-level computational model for multi-scale damage analysis in composite and porous materials. Methods Appl. 2003.. Ghosh. J. the PGD-POD approach could achieve a – 224 – . where there is no obvious difference between the two reconstructed snapshots. Brekelmans.. 23352385. Eng.. Computational Methods for Microstructure-Property Relationships. Labex MS2T and of the China Scholarship Council. stochastic collocation and the variational multiscale method. 30283038. Phys. we retain the first 5 modes for both approaches.... New York. An approach to micro-macro modeling of heterogeneous materials.

Mech. Mech. W pierwszym etapie. 654-676. 2010. Breitkopf. M.. 10371067. B.. S. Phys. 19. A stochastic variational multiscale method for diffusion in heterogeneous random media. 671-697. P. O... Phys. Numerical evaluation of effective elastic properties of graphite fiber tow impregnated by polymer matrix.. J. Solids. Eur. P. PARAMETRYZACJA CYFROWEJ REPREZENTACJI MIKROSTRUKTURY MATERIAŁU POPRZEZ REDUKCJĘ POD/PGD Streszczenie Ogólna idea pracy polega na automatycznej generacji precyzyjnej funkcji reprezentującej topologię i geometrię poszczególnych faz materiału celem uzyskania modelu obliczeniowego o minimalnej liczbie parametrów. 45. Comput. J.. łączący cechy dekompozycji POD i PGD. 2001.. B.. J. W trzecim etapie. an a posteriori grid parametrization method for shape optimization. 2012 Received in a revised form: November 8. Design of materials with extreme thermal expansion using a three-phase topology optimization method. J. Torquato. Comput. Zeman.. Phys.INFORMATYKA W TECHNOLOGII MATERIAŁÓW Raghavan. Jako przykład podajemy budowę niskowymiarowego modelu dwufazowej mikrostruktury kompozytu. Received: October 16. Velamur Asokan. 2012 – 225 – COMPUTER METHODS IN MATERIALS SCIENCE . Sejnoha. 1997.. 218. POD-morphing. 2012 Accepted: November 23. Mech. W tym celu proponujemy trzystopniowy algorytm redukcji obrazu. analiza wymiaru otrzymanej rozmaitości topologicznej daje minimalny zestaw parametrów potrzebnych do reprezentowania mikrostruktury z odpowiednią dokładnością. Sigmund. 2006.. 49. N. Zabaras. Solids. Villon. Następnie budujemy wspólną bazę dla całego zbioru obrazów mikrostruktury. J. macierz obrazu reprezentatywnego elementu objętościowego jest rozłożona na liniową kombinację tensorowych produktów jednowymiarowych wektorów bazowych. 69-90.

COMPUTER METHODS IN MATERIALS SCIENCE Informatyka w Technologii Materia ł ów Publishing House AKAPIT Vol. we make use of the local numerical homogenization not based on RVE concept (Jhurani. The approach we propose can reduce the computational cost of the analysis without deterioration of the modeling reliability. This approach was developed for example by Geers and his collaborators (Geers et al. One of them is the computational homogenization. however any other constitutive equations may be applied. No.. various approaches to evaluation of effective material properties and composite response are proposed (e. binders or asphalt mix). Numerical tests can significantly reduce the cost of design process by eliminating some laboratory or ‘in situ’ experiments. It is used to bridge ‘neighboring’ analyses scales by the concept of representative volume element (RVE). especially in the case of inelastic deformations and non-periodic material microstructure. Because of rheological effects a transient analysis is necessary. Jhurani & Demkowicz. Mang et al. numerical modeling of heterogeneous materials is a challenging task.pk.. Burgers model 1. which accounts for all details of the material heterogeneity. INTRODUCTION Most of new materials are composites of different kinds. WITOLD CECOT Cracow University of Technology. is either highly time consuming or even impossible. Key words: local numerical homogenization. 2013.edu.g. proposed by Jhurani in 2009 for linear problems.pl Abstract The main objective of this paper is to present the prospects of application of local numerical homogenization to visco-elastic problems. Before their implementation they are thoroughly tested. We present numerical results of 1D and 2D analysis for selected problems that provide comparison between the ‘brute force’ FEM approach and local numerical homogenization in application to modeling of heterogeneous visco-elastic materials in order to validate the technique. 2 LOCAL NUMERICAL HOMOGENIZATION IN MODELING OF HETEROGENEOUS VISCO-ELASTIC MATERIALS MAREK KLIMCZAK*. Its main advantage is that it can be used in the case of modeling of heterogeneous materials with neither distinct scales separation nor periodic microstructure. 13. 2009. Integration of local numerical homogenization with Burgers model should improve modeling of heterogeneous visco-elastic materials. However. 226 – 230 ISSN 1641-8581 . In this paper we use the Burgers model to describe inelastic deformations. The main idea of the approach is to replace of a group of many small finite elements by one macro element. Warszawska 24. Local numerical homogenization is one of the computational homogenization methods. However. The coarse element stiffness matrix is computed on the basis of the fine element matrices. Klimczak & Cecot. ul..g. 2009. which is presented briefly below. In such a way one obtains a coarse mesh approximation of the time consuming fine mesh solution. ‘Brute force’ FEM analysis. 2003. 31-155 Kraków *Corresponding author: mklimczak@L5. visco-elasticity. Therefore. 2011). Geers et al. 2008). 2003). In the 1D case the Burgers model is interpreted as a combination of a spring and a dashpot and it is mainly used for bituminous materials (e.

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2. LOCAL NUMERICAL HOMOGENIZATION Local numerical homogenization is one of computational homogenization methods. It was proposed by Chetan Jhurani (Jhurani, 2009) for linear problems. Mainly linear elasticity was discussed. Unlike other computational homogenization methods, local numerical homogenization is not based on the concept of RVE. The main advantage of this method is that no separation of scales condition has to be fulfilled. It means that the ratio of microscale characteristic dimension and macroscale characteristic dimension does not have to be much smaller than the unity. Moreover, periodicity of the material is not required. Therefore this method is suitable to model asphalt pavement structures, which is the subject of our interest. Local numerical homogenization is thoroughly presented in Jhurani’s dissertation (Jhurani, 2009). We would like to give an overview of this method and its main steps in context of linear problems.

where K † denotes the Moore – Penrose pseudoinverse of K and u 0 is an arbitrary vector in the null space of K . Analyzing the same problem at macroscale level we use effective stiffness matrices of K  R MxM (M≤N) and coarse scale load vector defined in terms of f as f  AT f ( A  R NxM - a chosen interpolation operator for a respective element). The coarse – scale solution is expressed in the following way:
^
^

u  K f  u0
^

^

^ † ^

^

(3)

where K † denotes the Moore – Penrose pseudoinverse of K , and u 0 is an arbitrary vector in the null space of K . The difference between (2) and (3) is equal to:
^ ^

^

Algorithm of the method consists of the following steps:
 assume ‘trial‘ effective material properties of the analyzed heterogeneous domain,  solve the auxiliary coarse mesh problem (it is advised to use adaptive FEM but it is not obligatory),  refine the coarse mesh within its every element in order to match all the heterogeneities (fine and coarse meshes are naturally compatible then),  find the coarse mesh element effective matrices knowing the fine mesh element matrices,  assemble coarse mesh element effective matrices,  solve the coarse mesh problem. The core of the algorithm is evaluation of effective coarse mesh element matrices. Let us focus on a single coarse mesh element of the analyzed domain. Then we refine the mesh within this coarse mesh element to capture all details of the heterogeneity. , and load vector For a stiffness matrix K  R N f  R , the fine mesh local FEM equation is:
NxN

u  A u  ( K †  A K AT ) f  (u 0  A u 0 )

^

^ †

^

(4)

Thus, we can express , up to a constant, the error

e  R N as:

e  ( K †  A K AT ) f

^ †

(5)

Finally, minimization of the above expression (enhanced with the regularization term) with respect to K † (Jhurani, 2009) leads to the effective coarse mesh element stiffness matrix K . This routine needs to be repeated for every coarse mesh element. Then the coarse mesh problem can be solved in the standard way. 1. BURGERS MODEL Visco-elastic Burgers model is commonly used for modeling of bituminous materials. Its 1D scheme is presented in figure 1. It is a material model, which efficiently simulates all of the most important response characteristics of bituminous materials, i.e. elastic, viscous, and visco-elastic. Additionally, it is may be easily implemented numerically. The total strain increment (  ) in Burgers model is the sum of the elastic
^

Ku  f

(1)

Its solution is equal to :

u  K † f  u0

(2)

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^

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(  E ), visco-elastic (  VE ) and viscous strain increments (  V ) then:
   E   VE   V

(6)

Fig. 1. Burgers model.

All of the above increments are presented in details by Collop et al. (2003) for both 1D and 3D case. Algorithm for time integration of the Burgers model is as follows:  evaluate elastic solution as a trial one for a time step ti ,  calculate inelastic strain increments,  update load vector considering the ‘impact’ of inelastic strain increments,  solve the problem and calculate total strain increment,  if the difference between updated total strain increment and a trial  is negligible and the difference between updated solution and a trial one is also negligible, go to the next time step; otherwise – go to the first iteration step. 2. INTEGRATION OF LOCAL NUMERICAL HOMOGENIZATION WITH BURGERS MODEL Modeling of heterogeneous visco-elastic materials also requires time-consuming transient analysis. In this chapter we present the prospects of local numerical homogenization in application of viscoelastic Burgers model. Analysis becomes much more complex as we have to ‘homogenize’ at every time step.

Algorithm of the proposed approach for known load history and known constituents characteristics is as follows (for each time step):  solve the elastic problem using local numerical homogenization according to the routine presented in chapter 2,  consider each coarse mesh element to be an independent problem: refine the mesh within this element, assume boundary conditions on the basis of elastic solution and solve this local problem at time ti,  update the coarse mesh load vector considering inelastic contribution,  assemble coarse mesh element matrices and updated load vectors,  solve the coarse mesh problem. Whole routine requires then solving several local visco-elastic problems instead of the global problem. 3. NUMERICAL RESULTS In this chapter we present preliminary results of 1D and 2D numerical tests for visco-elastic materials. In figure 2 analyzed 1D domain is presented. All material data (for 'white' material) are the same as for the test performed by Woldekidan (2011). 'Black' material is characterized by two times weaker parameters. Cross-sectional area is equal to 50 cm2. Analysis period is equal to 60 s. Load P is equal to 1.5 kN for t ≤ 15 s, then it is removed. Results for an arbitrary time step ti are presented in figure 3. The whole domain was discretized by 10 fine mesh elements and 5 coarse mesh elements. Thus, two fine mesh elements were homogenized into one coarse mesh element. Distribution of inclusions is periodic for the sake of simplicity. 2D analysis was carried out for the domain presented below in figure 4. It is a 2m by 4m square analyzed in plane strain state. Its bottom edge is fixed, left and right hand side edges can displace only in the vertical direction. Uniformly distributed tensile load (1 kN/m2) is applied to the upper edge. Material data were assumed in the same manner as for the 1D test. The Poisson ratio both for the inclusion and the matrix is equal to 0.3.

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Fig. 2. Analyzed heterogeneous visco-elastic 1D domain.

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Fig. 3. 1D example. Displacements at arbitrary time ti.

Fig. 4. Analyzed 2D domain with randomly distributed inclusions.

Vertical displacements of the upper edge are presented in figure 5.

Fig. 5. 2D example. Vertical displacements along the upper edge.

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H. C . W niniejszym artykule wykorzystujemy model Burgersa do opisania deformacji lepkosprężystych.. 1. 108. Ze względu na reologię zagadnienia niezbędna jest wykonanie analizy niestacjonarnej. F. 2012 Accepted: November 21. Lackner. 87-94.. Brekelmans. . Ostatecznie wystarczy rozwiązać zadanie w obszarze zdyskretyzowanym siatką rzadką. Kluczowym krokiem algorytmu jest zastąpienie grupy elementów siatki gęstej jednym elementem siatki rzadkiej. Proc. 2011. Jhurani w roku 2009 do zagadnień liniowych... Proponowane przez nas podejście może ograniczyć czas obliczeń bez pogorszenia wiarygodności modelowania. PhD thesis. 2003. These results encourage us to perform further tests and obtain an effective algorithm for analyses of heterogeneous visco-elastic materials. Development and finite element implementation of a stress dependent elasto-visco-plastic constitutive model with damage for asphalt. wynikami obliczeń wykonanych za pomocą MES przy pełnym uwzględnieniu mikrostruktury materiału. Geers. Powoduje to znaczne wydłużenie czasu obliczeń ze względu na konieczność rozwiązania zadania w każdej chwili czasu oraz iteracyjny charakter algorytmu. 2011. C.. R. 371-386. Jej główną zaletą jest to.. Czasopismo Techniczne. REFERENCES Collop.A.utexas.ices. M . J h u r a n i .INFORMATYKA W TECHNOLOGII MATERIAŁÓW 6. St. że proponowane przez nas podejście może być z powodzeniem wykorzystane do modelowania niejednorodnych materiałów lepkosprężystych. J. Hackspiel. Została zaproponowana przez Ch. Computational Multiscale Analysis in Civil Engineering. C . Conf. W. W. Cecot. A. z. zamiast siatką gęstą.. Eberhardsteiner. Technische Universiteit Delft. A. C. 1832. Ch. lepiszcza asfaltowe lub mieszanki mineralno-asfaltowe).. Stürzenbecher. A. Hellmich.. LOKALNA HOMOGENIZACJA NUMERYCZNA W MODELOWANIU NIEJEDNORODNYCH MATERIAŁÓW LEPKOSPRĘŻYSTYCH Streszczenie Głównym celem niniejszego artykułu jest prezentacja możliwości wykorzystania lokalnej homogenizacji numerycznej do zadań lepkosprężystych. International Journal for Multiscale Computational Engineering. Multi-scale first-order and second-order computational homogenization of microstructures towards continua.. Porównane zostały one z wynikami podejścia “brute force”.. CONCLUSIONS Summing up we can conclude that for the tests presented in the paper integration of local numerical homogenization with visco-elastic material models:  significantly reduced the computational cost of numerical analysis. Rezultaty porównań powyższych metod pokazują. 1-B. (http://www. J h u r a n i . The Eleventh East Asia-Pacific Conference on Structural Engineering and Construction. Woldekidan. Możliwe jest jednak zastosowanie innego równania konstytutywnego opisującego zachowanie materiału w czasie. Integracja lokalnej homogenizacji numerycznej z modelem Burgersa może poprawić sposób modelowania niejednorodnych materiałów lepkosprężystych. Taipei. C.. W przypadku jednowymiarowym model Burgersa jest interpretowany jako kombinacja sprężyn i tłumików. 2012 Received in a revised form: November 4. Kasbergen. ICES Reports 0934÷09-36. T. The University of Texas at Austin. The University of Texas. E. PhD thesis. Mang. . Transportation Research Record. tj. Bituminous Mastic and Mortar.. Kouznetsova. Local homogenization in modeling heterogeneous materials. D & E Drawing and Editing Services Company. Wydawnictwo Politechniki Krakowskiej. Główną cechą tego podejścia jest wykonanie homogenizacji po dyskretyzacji analizowanego obszaru. .  did not introduce significant additional error to the solution. które nie wykazują wyraźnej rozdzielności skal ani nie charakteryzują się periodycznością mikrostruktury. 2009. Lokalna homogenizacja numeryczna jest jedną z metod homogenizacji komputerowej.. K. iż może być wykorzystana do modelowania materiałów niejednorodnych. K . V. R... 2003.. 2009. D e m k o wi c z . Austin. 3 – 14. gdyż nie wprowadza znacznego dodatkowego błędu do rozwiązania obniżając jednocześnie koszt wykonywanych obliczeń. R. Response Modeling of Bitumen. Aigner. 2012 COMPUTER METHODS IN MATERIALS SCIENCE – 230 – . Klimczak. Prezentujemy wyniki zadań 1D oraz 2D dla wybranych zagadnień. Hofstetter. B.. Multiscale Modeling Using Goaloriented Adaptivity and Numerical Homogenization. Wykorzystywany jest głównie do modelowania zachowania materiałów bitumicznych (np. . Scarpas. 2008. M. L . Scheiner. Pichler.. K . M. 96-104.edu/research/reports/). Received: September 20. de Bondt.

The reason for the discretization-dependence in the computational tests is that the localization is simulated in the possibly smallest material volume which depends on the assumed mesh. 31-155 Cracow.pl Abstract This paper deals with the phenomenon of strain localization in nonlinear and nonlocal material models.. The strain localization has a twofold source: geometrical effects (e. To avoid pathological mesh sensitivity of numerical test results the gradient averaging is applied in the damage model. due to damage of the materi- al) the equilibrium equations lose their ellipticity in the post-peak regime. 13. 2013. The strain localization in the analysed model has a twofold source: geometrical effects (necking) and softening due to damage of the material. they have the physical origin in the evolution of the microstructure. The localization means that from some point the whole deformation concentrates in a narrow zone while a major part of the structure experiences unloading.pk. 1996). Key words: strain localization.g. For the descending stressstrain relationship (e. microcracking or nonassociated plastic flow). Poland *Corresponding author: bwcislo@L5. concrete or composites) is strain localization which is closely related to the softening of the material. Selected results are presented for the standard and regularized continuum. The gradient averaging involves an internal length scale which is an additional material parameter coming from the microstructure. 2 NUMERICAL SIMULATIONS OF STRAIN LOCALIZATION FOR LARGE STRAIN DAMAGE-PLASTICITY MODEL BALBINA WCISŁO*. AceGen package 1.g. The localization phenomenon associated with the softening response can be properly reproduced using enhanced continuum theories which have a non-local character and take into account higher deformation gradients in the constitutive description (Peerlings et al. The application of standard continuum models to these problems fails to provide an objective description of the phenomena. INTRODUCTION One of the features of materials with microstructure (e.g. damage. The parameter is usually associated with the width of the localization band and is determined for instance by an average grain size. The paper includes the description of the material model which incorpoISSN 1641-8581 231 – 237 . necking of metallic bars) or material instabilities (e. Cracow University of Technology. in the description of the material not only nonlinear constitutive relations (damage. but also geometrical nonlinearities (large strains) are taken into account. Particularly.edu. This leads to an ill-posed boundary value problem that entails a pathological mesh-sensitivity in the numerical solution. gradient-enhancement.g. plasticity) are included. JERZY PAMIN Institute for Computational Civil Engineering. No. large strain.COMPUTER METHODS IN MATERIALS SCIENCE Informatyka w Technologii Materia ł ów Publishing House AKAPIT Vol. Although the softening and the localized deformations are visible in the macroscopic material response. plasticity. Warszawska 24. The material description is implemented within the finite element method and numerical simulations are performed for a uniaxial tensile bar benchmark.

The simulations are performed using Mathematica–based package AceGen/AceFEM (Korelc. where h is a hardening modulus. The plastic sor which is computed as:  regime is defined through the yield function Fp which is an isotropic function of the effective Kirchˆ and the plastic multiplier : hoff stress tensor  ˆ . where  ~ = variable calculated as max(  0 det(F) . damage is not directly coupled with plasticity thus depending on the assumed material parameters the model can also reproduce hyperelasticity-plasticity or hyperelasticity-damage.  ). 1998). The free energy function in the presented model is assumed to be an isotropic function of the elastic left CauchyGreen tensor b e  F e F eT . SHORT PRESENTATION OF MATERIAL MODEL The following simulations are performed for a material model which involves hyperelasticity. 1998): Mises-Hencky equivalent stress f  2 J 2 . which is reflected in an additional partial differential equation to be solved. The implicit gradient model is incorporated.  is a history ~ . The damage condition takes the form: ~ . plasticity and damage and takes into account large strains.). The function q represents the isotropic 2 linear hardening as: q( ) = -h. 2. and which is computed from the damage growth function. The plastic part of the presented model is described in the effective stress space which means that it governs the behaviour of the undamaged skeleton of the material. 2009). The associative flow rule is assumed in the form: e   1 1   1/3 e b )  3 ( J be  1)  ln( J be )    tr( J be  2 2 2  2 (2) where Jbe is the determinant of the elastic left Cauchy-Green tensor and  and  are material parameters. ) = f(  ˆ)– Fp(  COMPUTER METHODS IN MATERIALS SCIENCE 2 / 3 (y . In the following numerical simulations the exponential model adopted from Mazars and Pijaudier-Cabot (1989) is applied:  ( )  1  0 1     exp(  (   0 )   (5) where  and  are model parameters. a scalar measure of plastic flow  and a scalar damage parameter  : 2  e e b be (3) Damage is understood in the described model as a degradation of the elastic free energy function in the form:  e .INFORMATYKA W TECHNOLOGII MATERIAŁÓW rates hyperelasticity. ) =  ~ -0 Fd (  (6) For Fd < 0 there is no growth of damage. The paper presents the results of a computational test of localization in a tensile bar.d  (1   ) e (4) where  is a scalar damage variable which grows from zero for the intact material to one for a complete material destruction. The application of the automatic code generator AceGen significantly simplifies implementation of the elaborated models and due to automatic computation of derivatives allows one to avoid an explicit derivation of the tangent matrix for the Newton-Raphson procedure. However. The material description is developed with the assumption of isotropy and isothermal conditions and is based on a classical multiplicative split of the deformation gradient into its elastic and plastic parts: F  FeF p (Simo and Hughes. which depends on the second invariant of the deviatoric part of the effective Kirchhoff stress tensor t : 1 J 2  t 2 .q( ))  0 (7)   (1   ) e (b e )   p ( ) (1) ˆ )is assumed to be the HuberThe function f(  The constitutive relations of hyperelasticity are expressed through the elastic part of the free energy function which is assumed in the following form (Simo and Hughes. plasticity (with or without hardening) based on Auricchio and Taylor (1999) and gradient enhanced damage.1 is a deformation measure which governs damage and 0 is a damage threshold. Thus the following formulation takes into account the effective Kirchoff stress tenˆ = /(1 . The analysis is performed with the assumption of large deformations and isothermal conditions. The Kirchhoff stress tensor  is related to the elastic left Cauchy-Green tensor be with the formula: 1  Nbe  Lv be   2 (8) – 232 – .

The material parameters applied in the simulations are: E = 200 GPa. 2008) and N is a normal to the yield hypersurface. GRADIENT-TYPE REGULARIZATION A variety of approaches can be applied to preserve numerical results from the pathological meshsensitivity observed for a standard continuum model reproducing the behaviour of materials exhibiting softening. In the second subsection the results for strain localiza- Fig. the averaging equation and the internal scale l can be specified in the initial or current configuration. the results for material softening due to damage are presented for standard and regularized continuum.1.l22  ~ = ~  tion due to geometrical softening in plasticity are discussed.99. Areias et al. The parameter l appearing in equation (9) is a materialdependent length parameter called the internal length scale. Firstly.3.01. The former is an automatic code generator used for the preparation of finite element code whereas the latter is a FEM engine. the material averaging is chosen for the following simulations. 4. Based on the results obtained by Steinmann (1999) and Wcisło et al. The reactions sum diagram is presented in the second graph of figure 2. The introduction of the gradient enhancement into the material description requires the choice of a nonlocal parameter and the formulation of a corresponding averaging equation.g.  = 0. In the described model. see e. – 233 – COMPUTER METHODS IN MATERIALS SCIENCE with homogeneous natural boundary conditions. 2008). It can be noticed that diagrams are close to one another. Hyperelasticity coupled with damage (9) 4. (2012) which show that the spatial averaging does not fully preserve the numerical results from the dependence on the discretization. All model variants have been implemented in the Mathematica-based packages AceGen and AceFEM (Korelc. the local strain measure governing ~ is replaced with its non-local counterpart damage  ~ which is specified by the averaging equation:  ~ . 1999) or the plastic strain measure (Żebro et al. v = 0.INFORMATYKA W TECHNOLOGII MATERIAŁÓW where Lv is the Lie derivative of b e (Bonet and Wood. The internal length parameter is assumed to be l = 3 mm.. 3. The enforced displacement and the boundary conditions preserve the uniaxial stress state. The simulation confirms that for the gradient model the behaviour of the sample does not depend on the adopted mesh. Finally. 2009). . The simulations of the material model including hyperelasticity coupled with local damage are performed for a tensile bar with imperfection presented in figure 1. The width of the damage zone which is related to the internal length parameter is similar for each discretization.011. The results of the computational test performed for two FE discretizations with linear interpolation 20x2x2 and 40x4x4 are depicted in the first graph of figure 2. 1. Thus. especially for the medium and the fine mesh.g. the stored energy function (Steinmann.  = 1. the complex model of hyperelasticity-plasticity coupled with gradient damage is considered. The next test is performed for the same sample but the hyperelastic model is coupled with gradient damage. In this paper a gradient regularization is applied. The application of the gradient averaging to the material model including large strains is additionally difficult due to the distinction of the undeformed and deformed configuration. The computations for the finest mesh 80x8x8 fail for the displacement control (snap-back occurs). NUMERICAL SIMULATIONS OF STRAIN LOCALIZATION In this section the numerical examples of strain localization in hyperelasticplastic-damage model are presented. which is not only a computationally convenient approach but it is also motivated by micro-defect interactions. (2003). e. In the central zone the damage threshold is assumed to be 0 = 0. 0 = 0. Geometry and boundary conditions of a bar with imperfection. The deformed mesh with the damage variable distribution is presented in figure 4. In the literature different variables to be averaged are taken into account. We can observe in figures 2 and 3 that the results significantly differ for each discretization and that the zone of strain localization covers only the middle rows of elements.

2.bar approach is incorporated to avoid locking (de Souza Neto et al. Fig. Deformed mesh and distribution of damage variable  for three discretizations (hyperelastic–gradient–damage model). The graph of the reactions sum vs end displacement is depicted in the first diagram of figure 5. The Huber-MisesHencky yield criterion is applied and the F . 40x4x4 and 80x8x8 elements.. For each discretization the number and the arrangement of the strain localization zones is different.INFORMATYKA W TECHNOLOGII MATERIAŁÓW a) b) Fig. 2. 4. 3. The dimensions and the boundary conditions of the sample are the same as in the previous section and three meshes are taken into account: 20x2x2. v = 0. can be observed that in the plastic regime the dia- COMPUTER METHODS IN MATERIALS SCIENCE Fig. For all discretizations the loss of stability can be observed: for the coarse mesh the phenomenon is observed the earliest. Figures 6 and 7 present the deformed sample with the final accumulated plastic strain distribution and the evolution of the Green strain Exx along the bar length respectively. It gram is descending although ideal plasticity is assumed. It can be noticed that the loss of stability manifests itself in multiple necking. 2008). Evolution of Green strain Exx for meshes 20x2x2 and 40x4x4 (hyperelastic–damage model). The material parameters applied in the test are as follows: E = 200 GPa. displacement for a) hyperelasticity– damage model and b) hyperelasticity–gradient–damage model. 4.3. whereas for the medium and the fine mesh the necking occurs at the same time. – 234 – . σy = 300 MPa (perfect plasticity). It is caused by taking into account the change of a cross-section during deformation. the test is performed for an ideal bar with a constant square cross-section along the length. Hyperelasticity coupled with plasticity Firstly. Sum of reactions vs.

Fig. h = 1%E. Figures 9 and 10 present selected results of the simulation.0002. The imperfection is as in the previous subsection. the material softening is reproduced properly due to gradient regularization and geometrical softening does not occur because of a sufficiently large value of the hardening modulus.  = 1. 0 = 0. regularization is necessary for large deformations and ideal plasticity or small hardening. a) Fig. The reaction diagrams are close for each discretization and present the plasticity regime with hardening and reduction of the reaction forces due to damage. the less stiff the model is. In the analysed test.5%E. The imperfection is prescribed as the reduction of the yield stress to the value σy = 290 MPa. We can observe that the results depend on the adopted finite element mesh and the finer the discretization is. v = 0. It seems that.99. In figure 8 it can be noticed that the strains localize in the middle part of the sample where the imperfection is assumed. b) 4.3. The tested sample is the bar with imperfection with the following material parameters: E = 200 GPa. for example 0. Evolution of Green strain Exx along the bar for three meshes and ideal bar (hyperelastic–plastic model). The last test is performed for the material model which includes both plasticity and gradient damage. displacement for a) the ideal bar and for b) the bar with imperfection – hyperelastic–plastic model. . Sum of reactions vs. Final accumulated plastic strain for three meshes and ideal bar (hyperelastic–plastic model). even in the absence of damage.3.INFORMATYKA W TECHNOLOGII MATERIAŁÓW The test for the same sample but with the assumed imperfection in the middle of the bar is also performed.  = 0. – 235 – COMPUTER METHODS IN MATERIALS SCIENCE It should be also mentioned. 7. that the same results are obtained for hyperelasticity-plasticity with hardening where the hardening modulus has sufficiently small value. Hyperelasticity-plasticity coupled with gradient damage Fig. The sum of reactions diagram is presented in the second graph of figure 5. 6. 5. σy = 300 MPa.

A gradient model for finite strain elastoplasticity coupled with damage. Fig. incorporating an internal length parameter. 1999.INFORMATYKA W TECHNOLOGII MATERIAŁÓW Fig.. 9. Int. 10. Final accumulated plastic strain for imperfect bar and three discretizations (hyperelastic–plastic model).. J. A return-map algorithm for general associative isotropic elasto-plastic materials in large deformation regimes. the application of the regularization of the plastic part of the model should be considered in the future work. model exhibits material softening which can cause mesh-sensitivity observed in the presented simulation results. Bonet. 13591378. The hyperelastic-damage – 236 – . the work is planned to be extended towards thermo-mechanical coupling. Deformed mesh and damage variable  distribution for discretizations 20x2x2 and 40x4x4 (hyperelasticity– plasticity–gradient–damage model). REFERENCES Areias. and Conceicao. J.. 8. J. allows one to properly reproduce the material behaviour. The considered model is briefly described and selected numerical results are presented. The simulations are performed for different variants of the model and exhibit geometrical or material softening. CONCLUSIONS In the paper the problem of strain localization for a material model including geometrical and material nonlinearities with the applied gradient regularization has been outlined. Auricchio. Taylor... The research has been carried out within contract L-5/66/DS/2012 of Cracow University of Technology. financed by the Ministry of Science and Higher Education. Cambridge University Press. 2003. Poland. P. R. COMPUTER METHODS IN MATERIALS SCIENCE Fig. Nonlinear continuum mechanics for finite element analysis. Kowalczyk-Gajewska from IFTR PAS. Moreover. 1191-1235. R. For a sample with imperfection one zone of large strains can be predicted in contrast to the ideal sample where multiple necks are formed. 39. D. The gradient averaging procedure. Finite Elements in Analysis and Design. The numerical tests reveal that for a model incorporating ideal plasticity in large strain regime the strain localization might occur. 2008. Cesar de Sa. Plasticity. The authors acknowledge fruitful discussions on the research with Dr K. Warsaw. 15. displacement for hyperelasticity– plasticity–gradient–damage model. Sum of reactions vs.. 5. Acknowledgments. L.. C. F. Cambridge. To prevent the numerical results from a pathological mesh-dependence. Wood.

. de Borst. Engng. Simo. J.. 2012. W pracy zaprezentowane są wybrane wyniki symulacji rozciągania pręta dla różnych wariantów przyjętego opisu materiału. P. T. K. 7. C. Interdisciplinary Applied Mathematics Vol.. J. Mech. D. Ltd. 115.. Zastosowanie standardowych modeli continuum nie prowadzi do poprawnej symulacji zachowania materiałów z osłabieniem. de Vree.. 44. Mech. Received: October 16. J. R. Korelc. w których można zaobserwować lokalizację odkształceń zarówno związaną z osłabieniem materiału jak i osłabieniem geometrycznym. 2008. J.. W takim przypadku odkształcenia lokalizują się w najmniejszej możliwej objętości materiału. W artykule przedstawiono zwięźle opis analizowanego modelu sprężysto-plastycznego sprzężonego z uszkodzeniem przy dużych odkształceniach oraz zastosowanej regularyzacji gradientowej. Spowodowane jest to utratą eliptyczności równań równowagi. Meth. Pijaudier-Cabot. Chichester. 345-365. Mazars. Peric. 631-649. Lokalizacja odkształceń w analizowanym modelu ma dwojakie źródło: efekty geometryczne (szyjkowanie) oraz osłabienie spowodowane uszkodzeniem materiału. gdy zależność między naprężeniami a odkształceniami wchodzi na ścieżkę opadającą. Brekelmans. Technical Transactions. Kowalczyk-Gajewska. E. (to be published).. A geometrically nonlinear model of scalar damage coupled to plasticity. W niniejszej pracy zastosowano uśrednianie gradientowe. G. 251-262. Computational Inelasticity. 46. 2012 Accepted: October 26. J. 2012 NUMERYCZNE SYMULACJE LOKALIZACJI ODKSZTAŁCEŃ DLA MODELU USZKODZENIA SPRZĘŻONEGO Z PLASTYCZNOŚCIĄ W DUŻYCH ODKSZTAŁCENIACH Streszczenie Artykuł dotyczy zjawiska lokalizacji odkształceń w nieliniowych i nielokalnych modelach materiałowych.INFORMATYKA W TECHNOLOGII MATERIAŁÓW de Souza Neto. ale również nieliniowości geometryczne (duże odkształcenia). Arch. 2012 Received in a revised form: October 18. J.application to concrete. SpringerVerlag. D. John Wiley & Sons.... J. Pamin. Numer. T. przedstawiony opis materiału zawiera nie tylko nieliniowe związki konstytutywne (uszkodzenie. Aby uniknąć patologicznej zależności wyników testów numerycznych od dyskretyzacji należy zastosować odpowiednią regularyzację. – 237 – COMPUTER METHODS IN MATERIALS SCIENCE . Continuum damage theory .. Int. B. Żebro. R. 2008. 20/3-Ś. Pamin. Theory and applications.. 1998.. Eng. Gradient-enhanced model for large deformations of damaging elastic-plastic materials. Hughes. Kowalczyk-Gajewska. która w symulacji numerycznej określona jest przez rozmiar elementu skończonego. Model ten został oprogramowany w pakiecie AceGen w środowisku Mathematica oraz przetestowany przy użyciu pakietu AceFEM. 1996.. Numer. Jest to dodatkowy parametr materiału związany z jego mikrostrukturą. Formulation and computation of geometrically non-linear gradient damage. Gradient-enhanced damage for quasi-brittle materials. który może określać szerokość strefy lokalizacji odkształceń. Int.. 3391-3403. J. J. Peerlings. Wcisło. 757-779. 2009.. 1989.. Automation of primal and sensitivity analysis of transient coupled problems. W szczególności. Computational methods for plasticity. Meth. Computational Mechanics.. K.. w którym istotną rolę odgrywa wewnętrzna skala długości. New York. Steinmann. R. W. 1999. Engng. plastyczność). Owen. UK. 39. ASCE J..

The simulation of this state in the wire drawing process and development on this basis regimes of wire drawing is the purpose of paper. The second regime made it possible to carry out 7 passages without the fracture. Milenin et al. identification of the fracture model and its implementation into the FEM model of wire drawing. DOROTA J. al. 2009). As shown in the previous works (Kustra et al. 2 THE MULTI-SCALE NUMERICAL AND EXPERIMENTAL ANALYSIS OF COLD WIRE DRAWING FOR HARDLY DEFORMABLE BIOCOMPATIBLE MAGNESIUM ALLOY ANDRZEJ MILENIN*.1 mm. The first of them is according to the results of simulation allowed the appearance of microscopic cracks.. 2009. Two schedules of wire drawing are examined. Typically. No. Mickiewicza 30. 2011) that there are fractures on the grain boundaries long before the fracture of the sample in the macro-scale in these alloys during cold deformation. The initial diameter of billet was 0. Key words: drawing process. a technological ductility of these alloys during cyclic processes based on a combination of a cold deformation and annealing is significantly lower than for most known magnesium alloys. Milenin & Kustra. 2013. Haferkamp et al. It is experimentally proven that the microscopic cracks during the tension tests occurs long before the complete fracture of samples. the obtained wire with a diameter of 0. 2010a). The reasons of this fact are explained in the (Milenin et al. The production of thin surgical threads to stitching tissues may be an example of application of these alloys (Seitz et al. The state of metal. 2011.. these alloys contain lithium and calcium supplements. In the first regime it was possible to realize only 2-3 passages.. The special feature of the alloy Ax30 is the mechanism of fracture on the grain boundaries. These microcracks considerably make worse the restoration of plasticity using annealing. Solution of problem required the development of the fracture model of alloy in the micro scale. magnesium alloys 1. Thomann et al. It is ISSN 1641-8581 238 – 244 . multi-scale modeling. BYRSKA-WÓJCIK AGH University of Science and Technology.edu. 2001. Milenin et al. The cracks on the grain boundaries were observed in this case on the surface of wire. it had high plastic characteristics and allowed further wire drawing. 1999. PIOTR KUSTRA.075 mm did not contain surface defects. which directly precedes the appearance of these microscopic cracks.COMPUTER METHODS IN MATERIALS SCIENCE Informatyka w Technologii Materia ł ów Publishing House AKAPIT Vol. INTRODUCTION This paper is devoted to the new magnesium alloys used in medicine as a soluble implants (Heublein et al. 13.. is proposed to consider it as optimum from the point of view of the restoration of plasticity with the aid of the annealing. The annealing was carried out before each passage..1 mm) wire from the hardly deformable magnesium alloy Ax30 with the aid of the multi-scale mathematical model is examined in the paper. Thus. Poland *Corresponding author: milenin@agh. The second regime was designed so that the microscopic cracks would not appear during wire drawing. 2010b. 2010b). Experimental verification is executed in laboratory conditions on the specially developed device. 2010). Solution of the problem is proposed in the works (Milenin et al. 30-059 Kraków.. after which the fracture of wire occurred. Feature of these alloys is a low technological ductility during cold forming. the validation of the developed multi-scale model is executed for two principally different conditions of deformation..pl Abstract The problem of determination the drawing schedule of the cold drawing of thin (less than 0.

2011). The technique of research of the fracture mechanism is based on stretching sample in microscope’s vacuum chamber. The values for Az80 alloy. Obtainment a thin wire is difficult because of the strong sensitivity to the velocity of drawing process. Milenin et al.8 and Ax30 alloys are shown. MECHANISM OF FRACTURE The MgCa0. Milenin et al. The experiment is described in detail in the works (Milenin et al. 1.INFORMATYKA W TECHNOLOGII MATERIAŁÓW based on drawing by a hot die. 3.8% Ca 99. 2010a.1 mm wire diameter. Thus the solution of listed problems requires in-depth study of cold drawing process for these alloys.. 2.2% Mg) were selected as a material for the study. It follows from this that the development of the drawing technology should be made in such a way that in an every pass the material does not have microcracks. The porosity values in the stretching sample characterize the technological plasticity during multi-pass drawing. the effectiveness of annealing is much reduced and reaching of large deformation in a multi-pass process is impossible. The examples of microcracks during tensile test of Ax30 alloy: a) on the surface of the sample in macro-scale.2%Mg) alloy and its modification Ax30 (0.0%Al.. A porosity in sample appears long before the moment of fracture in macro-scale. which allows to easily simulate of the fracture of grain boundaries.. Otherwise. An example of cracks for alloy Ax30 is shown in figure 1 in macro-scale (figure 1a) and micro-scale (figure 1b)..8 (0.1 mm) wires by using a multi-scale modeling of wire drawing process and experimental verification of the results.. The porosity dependence on a total sample elongation – 239 – COMPUTER METHODS IN MATERIALS SCIENCE . the increase of porosity in the early stage of deformation is a fundamental difference between considered alloys and known magnesium alloys. are also shown for comparison purpose. The figures show that in these alloys microcracks appear much earlier than in the typical magnesium alloy Az80. 2. 2011). The test shown that these alloys crack mainly on grain boundaries. For micro-scale modeling of the fracture processes the boundary element method (BEM) was used. Studies show that this method is effective for more than 0. a) b) Fig. The aim of this work is to determine the parameters of the cold drawing of thin (less than 0. the annealing allows restoring the plasticity (Milenin et al. The multi-scale model of wire drawing process was proposed to solve this problem in the works (Milenin et al. In figure 2 the values of porosity in a center of sample during tensile test of MgCa0. 2011). b) in micro-scale Fig. 96. 2010a. used in mechanical engineering. Thus.8%Ca. Another disadvantage is that the biocompatible lubricant cannot be used what becomes to be important in medical application. During the process of stretching changes of microstructure and microcracks nucleation are monitoring. It is proved that if the microcracks do not appear in a current pass.

The Saint-Venant-Levy-Mises theory is used for relation between stresses and increments of strains for plastic deformation:  ij   ij 0  2  ij 3 (2) where  ij – the Kronecker delta. 2011). The macro-scale and micro-scale models are coupled in a such way that the results of simulation on macro-scale. THE MULTI-SCALE MATHEMATICAL MODEL OF A DRAWING PROCESS The macro-scale numerical model of drawing process is based on finite element method (FEM) and described in paper (Milenin. N. 1983) for the two-dimensional tasks and incompressible material. 2010a.  0 – the mean stress.   – increment of mean equivalent strain in grain.  – yield stress of material in grain. but the most important parameter in micro-scale simulation is the damage parameter D. D  D 0  (3)  eq   b D 1   E    b2 1  D b 3 . Kaczanov and Y. 3. M. σS – shear stress at the boundary between two grains.. 2002) for modeling of grain boundary cracking in the case of the deformation of the polycrystals. According to the equation (3)-(5). E – Young modulus. which is explained below. The solution of boundary problem and fracture criteria are described in detail in previous works (Milenin et al. This model was modified to describe the crack initiation at the grain boundary: COMPUTER METHODS IN MATERIALS SCIENCE a)  d  1 . σn – tensile (positive) component of normal stress at the boundary between two grains. The effective plastic modulus of the material for each grain is calculated as follows: E eff  k   (1) where: k is the random parameter.INFORMATYKA W TECHNOLOGII MATERIAŁÓW 3.  ij – the increment of strain components. 1969). strains and stresses on grains boundary are computed. which refers to change of elastic-plastic properties due to the various orientations of grains. Rabotnov (Rabotnov. This theory was successfully used in (Diard et al. especially stress and displacements. The microscale model of deformation is based on boundary element method.  eq   n  b0 S (5) b) Fig. At the micro-scale the displacements. The proposed criteria of crack initiation are based on the theory by L.. The crystallographic orientation is included in the developed program by a random parameter k. the damage parameter is computed at micro-scale for all boundary elements and depends on the material and stress – 240 – . Photo of microstructure (a) and BE mesh (b) where: D – damage parameter. 2005). The solution of boundary problem is based on the Kelvin’s fundamental solution (Crouch & Starfield. The model at the micro-scale includes the BE mesh generation based on images of a fragment of real microstructure and numerical solution at the micro-scale level. b0-b3 – empirical coefficients. are the boundary conditions at the micro-scale. The digital representation of the microstructure in a micro-scale model in proposed BEM code is considered as a two-dimensional representative volume element (RVE) which is divided into grains (figure 3). (4) 2 2 . Milenin et al..

For this reason.. which are shown in figure 2. when the experimental verification of numerical simulation finds that preferable to variant 1.43. 2004).02.10. However. All passages in each variants was geometrically similar. . When the value of parameter D reaches the value 1 for boundary element. that stresses and strains in variants 1 and 2 are significantly different. 4. The determination of empirical parameter of fracture model at the micro-scale is based on inverse analysis of experimental data. The drawing speed was 10 mm/s and was chosen in such a way that the annealing could be done in a furnace. in spite of a possible fulfillment of condition. Results of simulation in micro-scale are shown in figure 6. The maximum value of the parameter D is reached for passage amounted to 0. The crack initiation is allowed only for the internal boundaries in the developed model. b3 = -0. These parameters are used as boundary conditions for the microscale simulation of microstructure deformation. this may be the proof of theoretical conclusions about the major impact of micro cracks on technological plasticity. a) b) Fig.112 (elongation per pass 1. As a result of experimental data processing. Distribution of triaxility factor: a – for variant 1.1620. the following coefficients of equations (4) and (5) for alloy Ax30 are received: b0 = 0. However. Angle of die in each pass was 50. 2012).20).096). From the point of view of experience in a drawing of magnesium alloys and based on the results of the simulation in macro-scale the variant 2 is preferred because in this case deformation is more homogeneous and value of tensile stresses is lower (Yoshida. The outer boundaries of the domains were assigned to boundary conditions and. The purpose of this analysis is to minimize the difference between the empirical and calculated moment of crack initiation and the empirical and calculated porosity in microscale of sample during deformation (Milenin et al. This suggests that in this case the ductility restoration for alloy after pass will not be possible and the number of passes before the fracture of the wire will be less then in variant 1.09120. b2 = 0. Variant 2: 0. Thus. which was installed before the device for drawing. b1 = 0.07940. The present data shown.1470.0955 0.INFORMATYKA W TECHNOLOGII MATERIAŁÓW state.08310. b – for variant 2 – 241 – COMPUTER METHODS IN MATERIALS SCIENCE In figure 5 the distribution of strain in the drawing direction and vertical stresses along the centre line of the deformation zone are shown. simulation only first passage for each variant was performed. so results of stress and strain for all calculated passages are close. THE MULTI-SCALE MODELING OF TWO VARIANTS OF DRAWING PROCESS For the purpose of proposed technique validation two variants of wire drawing process were simulated. in variant 2 there is the emergence of microcracks (figure 6b).89.0758 (elongation per pass 1.50. 4. the fracture criteria is met. In figure 4 the results of simulation (triaxility factor) of the first pass for variant 1 (figure 4a) and variant 2 (figure 4b) are shown. this refers to alloys without high propensity to microcracks in the early stages of deformation. they cannot be destroyed.1350. Diameters of wires in variant 1: 0. in the variant 1 the cracks on the grains boundaries did not appear.0870.1230. As can be seen from the results (figure 6).30. The value of parameter D varies from 0 to 1.

Developed network of cracks after 4 pass is shown in figure 7. 5. The surface of the workpiece does not contain defects observed on the optical microscope. d) and vertical stresses along the centre line of the deformation zone (a. The methodology of receiving Fig. THE EXPERIMENTAL VALIDATION OF RESULTS The experimental validation of the results of calculations was performed in the context described above. wire diameter is 0. Network of cracks after 4 pass. The hairline fractures on the grains boundaries after passage 2 on the surface of the wire can be observed using an optical microscope. The distribution of strain in the direction of drawing (b. Further attempts of annealing and drawing were unsuccessful. 7. The Ax30 alloy was used. The received wires were fragile and crumble and after 2 pass tie the knot is impossible. Study of mechanical properties – 242 – . d) Fig.112 mm. In the variant 2 only 4 passage was perform. b) and variant 2 (c. 6. Results of simulation (effective strain in grains) in microscale for variant 1 (a) and for variant 2 (b) c) COMPUTER METHODS IN MATERIALS SCIENCE the billet by hot wire drawing process is presented in the work (Milenin & Kustra. 2010). c) for variant 1 (a. As a lubricant sunflower oil was proposed and the temperature of drawing was 30o С. variant 2 Much higher wire quality (figure 8) and mechanical properties which allow further drawing were achieve in variant 1.INFORMATYKA W TECHNOLOGII MATERIAŁÓW a) a) b) b) Fig. d) 5.

Heublein.7 MPa. M. ed.. 11.Rm = 252. 2. G. 1983. Utermohlen. 116-120. D.-M. B. CONCLUSIONS 1. jest uznany za optymalny pod względem możliwości odzyskania plastyczności za pomocą wyżarzania. J. Steel Grips. It is shown that microcracks on grains boundaries have influence on parameters of wire drawing technology of thin wire from Mg-Ca alloys. Cechą charakterystyczną stopu Ax30 jest mechanizm pękania po granicach ziaren. N. Starfield. Windhagen. Advanced Engineering Materials..-W. Grydin. M.11. Kustra. Pierwszy z nich.-M. Bormann. Bormann. A... A. The prediction of the microcracks using multiscale model coincided with the results of the experiment.W.. O.8 alloy. Grydin.. GEORGE ALLEN & UNWIN London. Exploration of Magnesium Alloys as New Material for Implantation. A. Kustra.. Kaese. Bach. B. A. Rabotnov. M.. 110. R. 2009.Rm = 250. 73-84..0758 mm for Ax30 alloy by cold drawing could be reached. Hausdorf. Hartung. A. J.. Kraków. Rozwiązanie przedstawionego problemu wymaga opracowania modelu pękania stopu w skali mikro. Mathematical Model of Warm Drawing Process of Magnesium Alloys in Heated Dies. 2001. eds. E. Kusiak. Bach. Seitz. Stan metalu. V. J... Thomann. 2009.. M. Milenin. Phan-Tan. spec. C. Haferkamp. Int. H. Inc. M. S. Wire Ass...1mm) drutów z trudno odkształcalnego biozgodnego stopu magnezu Ax30 przy wykorzystaniu wieloskalowego modelu numerycznego. Krause..INFORMATYKA W TECHNOLOGII MATERIAŁÓW in INSTRON machine showed that the tensile strength Rm of wire for all passages is not significantly different (diameter 0. 2... K. 4131/B/T02/2009/37 and project no. Meyer-Lindenberg.1969. Rohde.0955 mm . WIELOSKALOWE NUMERYCZNE MODELOWANIE ORAZ ANALIZA EKSPERYMENTALNA PROCESU CIĄGNIENIA NA ZIMNO TRUDNO ODKSZTAŁCALNYCH BIOZGODNYCH STOPÓW MAGNEZU Streszczenie Praca poświęcona jest opracowaniu procesu ciągnienia na zimno cienkich (o średnicy mniejszej niż 0... Grydin. 1251–1254. Steel Research International. Leclercq. Dwa przypadki procesu ciągnienia zostały zbadane. F. Computers and Structures. Murray.. A. u. Cailletaud. O. 100-104 (in Polish).150 is gratefully acknowledged. North-Holland Publishing Company. Haverich.. eds.. J. Acknowledgements. wire diameter 0..2002.0758 mm 6. Mat. Boundary element methods in solid mechanics. Multiscale modeling and interpretation of tensile test of magnesium alloy in microchamber for the SEM. 2010 a. 2004. 13. 61-70.2011. O. A. który bezpośrednio poprzedza pojawienie się mikropęknięć.. Sydney. Niemeyer. M. Byrska. Amsterdam/London. 207-214. P. Milenin. Udowodniono eksperymentalnie. 199-202. 81. Cold drawing of magnesium alloy wire and fabrication of microscrews. N. 2011. M. V. Yoshida. 2. Rohde. The experimental research and the numerical modeling of the fracture phenomena in micro scale. Rousselier. Degradation of Magnesium Alloys: A New Principle in Cardiovascular Implant Technology. Fig.. M. Byrska. 61-68. 2012. 2010 b. Niemeyer. The multi-scale physical and numerical modeling of fracture phenomena in the MgCa0. Heublein. u. D. Wire & Cable Technical Symposium...... Pietrzyk.. T.. 2. Proc. Boston. że mikropęknięcia w trakcie próby rozciągania pojawiają się na długo przed pęknięciem próbki w skali makro. Comparison of the resorbable magnesium alloys LAE442 and MgCa0.. their progress of degradation and the bone-implant-contact after 12 months implantation duration in a rabbit model. Computational Materials Science. Kaese. Byrska-Wójcik... 72. Y. prowadzi do powstania mikro- – 243 – COMPUTER METHODS IN MATERIALS SCIENCE . Based on the developed schema of drawing the wire diameter 0. 1038-1049. 40. Mat. 863866. Fr. Milenin.. Schaper. von der Hoh. Hutnik-Wiadomości Hutnicze. S. identyfikacji parametrów pękania oraz implementacji modelu w skali mikro do modelu MES procesu ciągnienia.. Production of thin wires of magnesium alloys for surgical applications.. Milenin.. D.. 11. Distribution of normal stress at grain boundaries in multicrystals: application to an intergranular damage modeling. Financial support of the Ministry of Science and Higher Education project no.. Annual Symposium "Transcatheter Cardiovascular Therapeutics". 2010. Werkstofftech. A. K. Schaper. Röcken. P. Schaper. Program komputerowy Drawing2d – narzędzie do analizy procesów technologicznych ciągnienia wielostopniowego. REFERENCES Crouch... Werkstofftech.. 1999. P. 2005.wiss.. C. 32. D. J.0758 mm . D. A. 14th international conference on Metal Forming. zgodnie z wynikami obliczeń. Kustra. Computer Methods in Material Science.. Głównymi celami pracy są symulacja takiego stanu materiału oraz opracowanie procesu ciągnienia na tej podstawie. Phillip. Milwaukee.8 concerning their mechanical properties. Milenin. diameter 0... A. 82-87. Surface of wire after drawing according variant 1. Creep Problems in Structural Members. The Manufacture of Resorbable Suture Material from Magnesium – Drawing and Stranding of Thin Wires. D. G. Grydin. Seitz.. R.. G. W. 8. New York.-wiss.. 1087-1095. Ch. L.. J. Wulf. The physical and numerical modeling of intergranular fracture in the Mg-Ca alloys during cold plastic deformation. 18.9 MPa).. M. Klose. H. Computer Methods in Materials Science..... Diard. Milenin. O. Milenin. O. 89..

2012 COMPUTER METHODS IN MATERIALS SCIENCE – 244 – . po których w materiale wystąpiły pęknięcia. przeprowadzono walidację modelu na dwóch zasadniczo różnych przypadkach procesu ciągnienia. 2012 Accepted: November 9. Eksperymentalna weryfikacja wyników obliczeń została przeprowadzona w warunkach laboratoryjnych w specjalnie do tego celu opracowanym narzędziu. by nie pojawiły się mikropęknięcia w ciągnionym drucie. Wyżarzanie było wykonywane przed każdym przepustem.1 mm. Tak więc. Początkowa średnica drutu wynosiła 0. W tym przypadku pęknięcia po granicach ziaren były obserwowane na powierzchni drutu. Received: September 22. Drugi rozważany schemat ciągnienia pozwolił na przeprowadzenie 7 przepustów bez pojawienia się pęknięć.075 mm bez defektów na powierzchni o plastyczności pozwalającej na dalsze ciągnienie. otrzymano drut o średnicy 0. Drugi rozpatrywany schemat ciągnienia został dobrany tak. W pierwszym przypadku możliwe było przeprowadzenie 2-3 przepustów. 2012 Received in a revised form: October 29.INFORMATYKA W TECHNOLOGII MATERIAŁÓW pęknięć.

2006). In particular we compare hp-adaptive algorithm with h-adaptivity. namely the H1 projection. A proof of concept for a limited set of applications has been presented in earlier author’s works: (Gurgul et al.  input data obtained by using various techniques representing temperature distribution over the 245 – 250 ISSN 1641-8581 . Finally conclusions with the evaluation and discussion of the numerical results for an exemplary problem and convergence rates obtained for described problem are described. ŁUKASZ MADEJ AGH University of Science and Technology. 2010. space projections. concluding that hp-adaptivity for three dimensional approximation of non-continuous data loses its exponential convergence.g. 2013. 2004.pl Abstract The concept of the H1 projections for an adaptive generation of a continuous approximation of an input 3D image in the finite element (FE) framework is describe and utilized in this paper. 2 THREE-DIMENSIONAL ADAPTIVE ALGORITHM FOR CONTINUOUS APPROXIMATIONS OF MATERIAL DATA USING SPACE PROJECTION PIOTR GURGUL*. al. morphology of the digital material representation (DMR) during FE analysis of material behavior under deformation and exploitation conditions (Madej et al. 2005). which can be used in diverse applications including finite element (FE) analysis (Demkowicz. 30-059 Krakow.. resulting in an improving fidelity of the approximation. along with a corresponding FE mesh. The continuous data approximation. Demkowicz & Buffa. Such bitmaps can represent e. can be interpreted and used as an input data for FE solvers. resulting in an improving fidelity of the approximation. Some examples may involve:  satellite images of topography of the terrain. to create an approximation of a generic bitmap in the finite element space. specific refined meshes have to be created. digital material representation 1. Such an approximation. In order to capture FE solution gradients properly. 2010. To properly capture FE solution gradients which are the results of mentioned material inhomogeneities.. 2012). Demkowicz et. specific refined meshes have to be created. Sieniek et al. al.. The projection operator is applied iteratively on a series of increasingly refined meshes. 13. is necessary in case of a noncontinuous input data representing continuous phenomena.. The operator can be applied iteratively on a series of increasingly refined meshes.edu. Paszyński et al. No.. INTRODUCTION Space projections constitute an important tool. Poland *Corresponding author: pgurgul@agh.. Gurgul et al. A developed algorithm for linking image processing to the 3D FEM code is also presented within the paper. for example. particular features are characterized by different properties that significantly influence material deformation. 2011. Madej. MACIEJ PASZYŃSKI. 2004. Due to the crystallographic nature of polycrystalline material.COMPUTER METHODS IN MATERIALS SCIENCE Informatyka w Technologii Materia ł ów Publishing House AKAPIT Vol. Key words: adaptive finite element method. 2011. when we have a non-continuous bitmap data representing rather continuous terrain. Mickiewicza 30. It might be used. MARCIN SIENIEK.

Let:  uV be a solution in the space V. but projecalso its gradients. 2006). For a given X = (x1. where the temperature is rather continuous phenomena. are basis functions for V (i. We can include information about derivatives and though minimize not only the error of function's value. the coefficients of this linear combination. α f x (6) u needs to be minimal. HP-adaptation is one of the most complex and accurate. PROJECTION OPERATOR projection onto the space V may be exA pressed as the following minimization problem: where: . Ω Ω (3) (4) projection onto the space V. find ∈ is minimal. A number of adaptive algorithms for finite element mesh refinements are known. This is done using selfcontaining spaces corresponds . find such that . x2. The hpadaptation process breaks selected finite elements into smaller ones and modifies the polynomial order of approximation locally. . Given ‖f x ‖ Ω. we compute the approximation of . 2. x2. Since the material data is not continuous in our case. where to the initial mesh and is the first mesh.. Then.INFORMATYKA W TECHNOLOGII MATERIAŁÓW material.. we need to approximate the partial derivatives in the gradient f by finite differences. compare equation (7). . where the approximation will be performed. x3 that are produced by the function r(x). where u0 is represented by a noncontinuous input data.…. H-adaptive algorithm restricts the mesh refinement process to breaking selected finite elements with the fixed polynomial order of approximation..e. (5) Thus the equation (6) f x u Ω Ω. the method above considers only the function itself for minimization of the error. COMPUTER METHODS IN MATERIALS SCIENCE Given an arbitrary function such that . 2011). based on relative error rate in each step. to find the minimum. – 246 – . This method is called tion and can be expressed very similarly to projection. However. as it results in an exponential convergence with the number of degrees of freedom (Demkowicz et al. In this work we compare hpadaptivity with h-adaptivity for the H1 projection of non-continuous data. (7) ∑ Since where . There is no efficient way to determine precision of a given a priori and a workaround here is to refine space V iteratively. The exemplary application of the first case may involve the flood modeling (Collier et al. ( … ). it is rather necessary to perform H1 projection of the u0 to get the required regularity of u. When we solve the nonstationary problems of the form u = f. for which the desired precision is achieved. . with initial conditions u(x. ∈ Given an arbitrary function . and it results in algebraic convergence only. we differentiate the equation with respect to the coefficients and compare them to zero in equation (1): ∑ This leads to a linear system (2): M U F (2) Ω 0 (1) 3. where u represents temperature. we find the closest existing (integer) coordinates for x1. x3). We conclude that for three dimensional H1 projection of continuous data the hpadaptivity loses its exponential convergence and thus h-adaptation is enough. ADAPTIVE ALGORITHM USED FOR SOLUTION Quality of the approximation depends on the choice of the space . the application of the second case concerns the solution of time dependent problems with input data representing initial conditions.. we have to determine .0)=u0. constiAn tutes the solution to this system.

2. _ Fig. One approach is to increase order of the basis functions on the elements where the error rate is higher than desired. 6: 7: ← perform listing 1 on 10: if 11: then 8: end while 9: return Fig. More functions in the base means smoother and more accurate solution but also more computations and the use of highorder polynomials. with supports The quality of the interpolation can be improved by the expansion of the interpolation base. where element refinements have been optimally chosen by comparing Vt fine and Vt . ← . 1. where all elements have been refined by one order with respect to Vt . 5: foreach element 6: ← ⊂ | Major steps of described algorithm are presented in figure 1.INFORMATYKA W TECHNOLOGII MATERIAŁÓW 1: 2: 3: ← solve the minimization problem in ← ← solve the minimization problem in  Vt fine be a space corresponding to a mesh.2. HP Mesh refinements and its role in projection-based interpolation . In FEM terms.1. Algorithm _ . Choice of an optimal mesh for the following iteration of the adaptive algorithm. approximating space with the 12: end if 13: end for 14: add all basis functions from on 15: 16: 17: if max_ end if to . 1: ← ∞ 7: foreach ⊆ | | over element 0 do onto 2: ← 1 3: ← initial space corresponding to a trivial mesh > .  Vt opt be a space corresponding to a mesh. this could be done thanks to some kind of mesh adaptation. Two methods of adaptation are being considered in the present work: 3.1.  4: _ ←0 in coarse mesh do Vt w be any space such that Vt  Vt w  Vt fine . – 247 – COMPUTER METHODS IN MATERIALS SCIENCE 3. ← ←t+1 _ do such that | 8: ← compute a projection of 4: while 9: | | 5: . Algorithm presented in figure 1 is being performed in iterations until the stop condition (usually the desired precision) is met. 18: end for 19: return . ← . P-adaptation – increasing polynomial approximation level. ← _ . These steps are presented in figure 2.

This temperature distribution may constitute the starting point for some non-stationary time dependent heat transfer simulation. 3. – 248 – . The crucial factor in achieving optimal results is to decide if a given element should be split into two parts horizontally. into two parts vertically. Still. in an analogical manner to the algorithm for Finite Elements adaptivity described by (Demkowicz et al. the self-adaptive algorithm can be applied.3 62. 4.INFORMATYKA W TECHNOLOGII MATERIAŁÓW 3. 3D balls problem: mesh after the sixth iterations of hp adaptive algorithm and solution over the mesh. with hp-adaptive (see figure 3) and h-adaptive (see figure 4) algorithms.1. This may represent the initial distribution of temperature over one ball shape material inside another material.4 63. It decides if a given element should be refined or it is already properly refined for the satisfactory interpolation. The refinement process is fairly simple in 1D but the 2D and 3D cases enforce a few refinement rules to follow. This can be achieved by combining together mentioned two methods under some conditions. H-adaptation – refining the mesh.1. in order to locate the most sensitive areas at each stage dynamically. This idea arose from the observation that the domain is usually non-uniform and in order to approximate the solution fairly some places require more precise computations than others. Another way is to split the element into smaller ones in order to obtain finer mesh. Automated hp-adaptation algorithm Neither the p. That is why the automated algorithm that decides after each iteration for the element if it needs h. and thus it is reasonable to replace it with its cheaper. into four parts (both horizontally and vertically on one side). Iteration 1 2 3 4 5 6 Mesh size 125 2197 5197 12093 22145 41411 Relative error in H1 norm 71. with simpler implementation and longer execution time. The numerical results presented in table 1 obtained by the hp-adaptive solution show that the algorithm utilized for the three dimensional H1 projections does not deliver exponential convergence. 3.7 51.4. The example concerns the approximation of the input data representing the ball shape distribution of data. where the acceptable solution can be achieved using small number of elements.3 66. 2006).3.or p-refinement or not was developed..03 COMPUTER METHODS IN MATERIALS SCIENCE Fig.9 57.nor the h-adaptation guarantees error rate decreases in an exponential manner with a step number. and improve the solution as much as possible. NUMERICAL RESULTS Presented projection algorithm was tested on one three dimensional example. Convergence rate for the problem of H1 projections of 3D balls with hp-adaptivity. into eight parts (both horizontally and vertically on the both sides) or not split at all. h-adaptivite counterpart that delivers similar convergence to the one presented in table 2. Table 1. which are not necessarily satisfied in the present case.

The work of the fourth author was supported by grant no. The applicability of this methodology for non-stationary finite element method solvers will be tested in our future work. P. Buffa. Paszyński.. Computing With Hp-adaptive Finite Elements.1 52.1: Improvement of the Didactic Potential of the AGH University of Science and Technology ``Human Assets''. Zdunek. CONCLUSIONS AND FUTURE WORK This paper presents a way of incorporating wellestablished H1 projection concept into an adaptive algorithm used to prepare material data. ICES Report 04-03. nr 820/N-Czechy 2010/0... M. The work of the third author was supported by Polish National Science Center grant no. continuous interpolation of given arbitrary data. Acknowledgements. L. accepted to Journal of Computational Science. N. with uniform polynomial order of approximation. Madej.2 62. J. Ł. M. Two dimensional hp-adaptive algorithm for con- – 249 – COMPUTER METHODS IN MATERIALS SCIENCE REFERENCES . P. The work of the first author was partly supported by The European Union by means of European Social Fund. M.. boundary conditions or image conversion algorithms).44 the quality of projection of the initial state to the further stability of the non-stationary simulation. Magiera. M.1. ICES-Report 04-24.01. 4. Table 2. L.3 68.1 68.. concluding that the hpadaptive algorithm does not deliver the exponential convergence in the case of non-continuous approximation of data. more sophisticated digital material representations should be investigated . Iteration 1 2 3 4 5 6 Mesh size 125 729 4913 11745 32305 68257 Relative error in H1 norm 72. N. A..g. The described method allows for generation of a smooth. CRC Press. L. alongside with an initial pre-adapted mesh suitable for further processing by a non-stationary FE solver. In this paper we compared three dimensional hpadaptivity with h-adaptivity. Besides.. Gurgul. M. Activity 4.. NN519447739.. Gurgul. Pardo. Demkowicz. 2004.. Taylor and Francis. H. Kurtz. In particular we plan to test the influence of Collier. Subactivity 4. Skotniczny. Radwan. 3D balls problem: mesh after the sixth iterations of the h-adaptive algorithm and solution over the mesh. Demkowicz.. The University of Texas in Austin. H1. Projection-based interpolation.. Application of multi-agent paradigm to hp-adaptive projection-based interpolation operator. Convergence rate for the problem of H1 projections for 3D balls with h-adaptivity. accepted to Journal of Computational Science. D.01-00-367/08-00.1: Improvement and Development of Didactic Potential of the University and Increasing Number of Students of the Faculties Crucial for the National Economy Based on Knowledge. Demkowicz..04.. L. The work of the second author was supported by Polish National Science Center grants no. A. Collier. 2012.INFORMATYKA W TECHNOLOGII MATERIAŁÓW Fig. UDA – POKL. 2011.9 49. The University of Texas in Austin. H(curl) and H(div) – conforming projection-based interpolation in three dimensions. Sieniek. Paszyński.. DEC-2011/03/N/ST6/ 01397. which is significantly easier to implement. 2004.. 2006... Sieniek. Dalcin. It is desirable to experiment with more 3D images as well as with various input parameters (e. Time Adaptivity in the Diffusive Wave Approximation to the Shallow Water Equations. 2011.. K. No.. 5. PO KL Priority IV: Higher Education and Research. and it may be reasonable to utilize just h-adaptation algorithm.

Kołodziejczyk. TRÓJWYMIAROWY. L. Rauch..G. L. M.. Madej.. Krakow. Sieniek. ADAPTACYJNY ALGORYTM DO APROKSYMACJI CIĄGŁYCH DANYCH MATERIAŁOWYCH Z WYKORZYSTANIEM PROJEKCJI PRZESTRZENNYCH Streszczenie Celem niniejszego artykułu jest opis i pokazanie praktycznego wykorzystana koncepcji projekcji H1 do adaptacyjnej generacji aproksymacji ciągłej wejściowego obrazu w 3D w bazie elementów skończonych. razem z odpowiadającą jej siatką. ICES-Report 05-38. E. Meiring. L. Ł.. Collister. L. K. 2012 Received in a revised form: October 23. Perzyński.. 661-679. Major. Madej. 393-399. Wilson. Romkes. może być interpretowana jako ciągła reprezentacja danych wejściowych dla solwerów metody elementów skończonych (MES). Madej.. Demkowicz. P. 56. Received: September 26. Taka aproksymacja. 1971-1981. J. 2012 COMPUTER METHODS IN MATERIALS SCIENCE – 250 – ... One the modeling of Step-and-Flash imprint lithography using molecular static models. 2011. M... 2005.. Archives of Metallurgy and Materials.. 1. Ł. Paszyński. P. AGH University Press. 2012 Accepted: October 26. M. Procedia Computer Science. Przedstawiony został ponadto przykład obliczeniowy ilustrujący działanie opisywanych metod. Cybułka P. Perzyński. C. Archives of Civil and Mechanical Engineering... DSc dissertation. 2011. Digital Material Representation as an efficient tool for strain inhomogeneities analysis at the micro scale level.INFORMATYKA W TECHNOLOGII MATERIAŁÓW tinuous approximations of material data using space projections. 2010. A. Agent-based parallel system for numerical computations. M... 2010. K.. accepted to Computer Science. 11. Analysis of the stress concentration in the nanomultilayer coatings based on digital Representation of the structure. Pietrzyk. Gurgul.adaptacji i h-adaptacji użytych do iteracyjnego generowania kolejnych aproksymacji. Development of the modeling strategy for the strain localization simulation based on the Digital Material Representation... Omówiony został również sposób oszacowania i redukcji błędu aproksymacji. Paszyński. Artykuł przedstawia teoretyczne podstawy mechanizmu projekcji wraz z porównaniem algorytmów hp.

2 PARALLEL IDENTIFICATION OF VOIDS IN A MICROSTRUCTURE USING THE BOUNDARY ELEMENT METHOD AND THE BIOINSPIRED ALGORITHM WACŁAW KUŚ*. The solution of boundary value problems by the BEM and the determination of effective material properties by numerical homogenization method are also parallelized. A three-dimensional unit-cell model of a porous microstructure is modelled and analyzed by the boundary element method (BEM). micromechanics. Poland *Corresponding author: waclaw. INTRODUCTION The bioinspired algorithms are very efficient optimization tools for single and multimodal objective functional problems (Michalewicz. 2008). the numerical homogenization methods can be performed instead. 2013. numerical homogenization 1. The scalability tests of the algorithm are performed using a server consisting of eight floating point units. 13. Konarskiego 18A.COMPUTER METHODS IN MATERIALS SCIENCE Informatyka w Technologii Materia ł ów Publishing House AKAPIT Vol. identification. The method is very accurate and for the considered problem requires discretization only the outer boundary of models. The computation of the compliance matrix for a porous microstructure is shown. As a result of using the hierarchical structure of the identification algorithm and the BEM. Key words: parallel computing. The algorithm used for identification is characterized by a hierarchical structure which allows for parallel computing on three different levels. a significant computation speedup and the accuracy are achieved. By using this technique. numerical simulations play today an important role in the prediction of a behaviour of new materials of a complex structure.pl Abstract The problem of identification of the size of a void in a microscale on the basis of the homogenized material parameters is studied in this work.kus@polsl. 44-100 Gliwice. 1996). RADOSŁAW GÓRSKI Silesian University of Technology. The overall wall time of identification can be shortened when the parallel algorithms are used (Kuś & Burczyński. No. Institute of Computational Mechanics and Engineering. The main drawback of these algorithms is a large number (hundreds or thousands) of objective function evaluations. A recent increase in a computational power gives a possibility of studying different materials using a numerical homogenization approach. boundary element method. a complex microstructure may be represented for instance by means of a representative volume element (RVE) or a unit cell and can be 251 – 257 ISSN 1641-8581 . The time needed for an evaluation of a single objective function depends on a boundary value problem usually solved by numerical methods. The matrix is used to formulate the objective function in identification problem in which the size of a void is searched. bioinspired algorithms. like the finite element method (FEM) or the boundary element method (BEM). Since the direct modelling and analysis of most of engineering structures made of heterogeneous materials is computationally very demanding. The parallel algorithm is used for evolutionary computations. Apart from the analytical models and experimental testing.

the developed system is build of three programs. The body is statically loaded along the boundary  by boundary tractions tj. As a result. the parameters defining voids in the material on a microscale are determined on the basis of orthotropic parameters in a macroscale. The properties are used to formulate the objective function depending on the quantities of a macro and micro model in order to identify the size of a void in the unit cell model of the material. The stress-strain relationships for an orthotropic material are presented. the identification problem is solved by the parallel hierarchical algorithm. (2010) have modelled and analysed threedimensional composite microstructures by the BEM and the parallel algorithm. Uij and Tij are fundamental solutions of elastostatics. analytical homogenization procedures are out of the scope of this paper and will not be discussed. Assuming that the body forces does not act on the body. the macroscopic homogenized properties of the material are determined on the basis of analysis of the unit cell models in a micro scale. The porous microstructure is modelled and analyzed by the BEM. Multiscale analysis by coupling the molecular statics and the BEM is presented by Burczyński et al. cellular materials. COMPUTATIONAL HOMOGENIZATION BASED ON THE BEM In this section.e. consider a 3D body (a macro model) made of a homogeneous. x is a point on the external boundary . (2012) have shown a new approach for the numerical homogenization of heterogeneous and cellular materials using the finite cell method. They computed the effective mechanical properties of different scaffolds materials and pore shapes.3). The numerical homogenization of an orthotropic material is shown for which the homogenized properties are determined. Boundary integral equations for a general threedimensional (3D) isotropic body are shown. for example composite materials. x  t  x  d  x  ij j  (1) where x’ is a collocation point. In the present paper the identification of voids in microstructures modelled by the BEM is presented. 2002): COMPUTER METHODS IN MATERIALS SCIENCE cij  x  u j  x    Tij  x. In order to solve the problem. Fang et al. the FEM and the BEM are the most frequently used. Among the numerical homogenization methods. Three-dimensional unit-cell models (which play the role of a RVE) of microstructures with voids are considered. displacements of the body are denoted by uj. i. isotropic and linear elastic material. First. Araujo et al.INFORMATYKA W TECHNOLOGII MATERIAŁÓW modelled and analyzed on two or more different scales. an evolutionary algorithm (an optimization tool).j = 1. – 252 – . The studies in the literature concern the homogenization of different materials of complex microstructures. a constant cij depends on the position of the point x’. In order to speed up the computations. (2005) for instance have studied homogenization of porous tissue scaffolds by the FEM and by two other approaches. Identification of material parameters of a bone by using a multiscale modelling and a distributed parallel evolutionary algorithm is presented by Burczyński et al. As a result of the numerical homogenization by the BEM. (2010a). the idea of a numerical homogenization is described within the framework of a linear elastic material characterized by a periodic microstructure containing voids. It is assumed that the material is macroscopically orthotropic and that a macro model of a structure made of this material is subjected to small deformations. heterogeneous tissue scaffolds and other. Difficulties in dealing with nearly-singular integrals during modelling of composites with closely packed fillers have been resolved by new and improved techniques. Optimization of macro models analyzed by the FEM using parallel algorithms is shown by Kuś and Burczyński (2008). Because the main emphasis in this work is put on parallel bioinspired computations assisting numerical homogenization. a computational homogenization module (evaluation of objective function) and the BEM program (a boundary value problem solver). Düster et al. 2. The external boundary of the body is denoted by . Chen and Liu (2005) have analysed composites reinforced by spherical particles or short fibres by the advanced BEM. The important feature of the method is a possibility of discretizing of complicated microstructures in a fully automatic way. The summation convention is used in the equation (the indices for a 3D problem are i.2.x  u j  x  d  x     U  x  . (2010b). for which the above integral equation is applied. the relation between the loading of the body and its displacements can be expressed by the boundary integral equation (known as the Somigliana identity) in the following form (Gao & Davies.

The unit tractions are prescribed to the unit cell models. 2. the strain-stress relationships for an orthotropic material have the following form (Kollár & Springer. the representative volume elements (RVE) representing a microstructure of this material should be rather used than the unit cell models. displacements and tractions are interpolated using quadratic shape functions. 3 and 23. representative sections (volumes) of a material are analyzed in order to calculate the homogenized properties.e. When the first stress state is applied. the material in a macro scale is referred to as orthotropic. 3 and 23. In order to determine the homogenized macroscopic properties represented by this matrix. Repeating an analysis five more times for the remaining unit stress vectors allows determining all columns of the compliance matrix. In order to compute the elements of the compliance matrix. then the resulting strains are obtained from the strain-stress relationships for an orthotropic material and the first column of the compliance matrix in equation (3) is determined. The means for obtaining the elements of the compliance matrix S for an orthotropic material by using the numerical homogenization concept and the BEM are presented below. A unit cell model of an orthotropic material If a material has a non-regular and non-uniform microstructure.INFORMATYKA W TECHNOLOGII MATERIAŁÓW Numerical BEM equations are obtained after discretization of the boundary integral equation (1). a2. 2003): where u and t are displacement and traction vectors. 12 are engineering stresses. i. 6 numerical tests are performed using the unit cell in figure 1. 1. More comprehensive definitions of the RVE can be found elsewhere. In the RVE or the unit cell analysis. A unit cell of this material (a micro model) representing its porous microstructure contains a single rectangular prism of arbitrary side lengths (i. which are perpendicular to the three symmetry planes. Along the external boundary the variations of coordinates. which is successively applied for all collocation points. homogeneous static boundary conditions are applied. 3 tensile tests and 3 shear tests. 12 are engineering strains. 1. H and G are coefficient matrices dependent on the boundary integrals of fundamental solutions and shape functions. the compliance matrix is specified in the coordinate system defined by these axes. 1. 13. the relation between strains and stresses is formulated in an av- – 253 – COMPUTER METHODS IN MATERIALS SCIENCE . Using the engineering notation. Because there are three mutually perpendicular symmetry planes with respect to the void aligned along the x1. Consider now a heterogeneous material with a periodic microstructure with voids in the form of rectangular prisms. In the developed computer program the outer boundary of the body is divided into 8-node quadratic boundary elements. For instance. in which the strains and stresses in equation (3) are defined. respectively. The mechanical properties of a linear elastic material are characterized by the compliance matrix S or by the stiffness matrix C. The walls of the unit cell in figure 1 align with the x1. and their elements are integrated numerically using the Gauss quadratures. the Fig. In this work.  ε1   S11  ε  S  2   12   ε3    S13   γ23   0  γ13   0      γ12    0 S12 S22 S23 0 0 0 S13 S23 S33 0 0 0 0 0 0 S44 0 0 0 0 0 0 S55 0   σ1   σ   2    σ3     0   τ 23  0   τ13    S66    τ12   0 0 0 (3) where the compliance matrix S has 12 nonzero elements. for instance in Kouznetsova (2002). for the tensile test in the x1 direction only the traction in this direction (1 stress) is prescribed and the remaining are zero. The coupling of the macro and micro levels is based on the averaging theorems. 13. x2 and x3 axes. a3) as shown in figure 1. 2. The resulting BEM equations can be expressed in the following matrix form: H uG t (2) erage sense in order to determine the homogenized (the effective) macroscopic properties. For the considered orthotropic material in a macro scale. Thus.e. a1. but only 9 are independent. x2 and x3 axes. The compliance matrix S is symmetrical for an elastic material (Sij = Sji) and it is the inverse of the stiffness matrix (S = C-1).

i. a3) are coded in genes of each chromosome which is a potential solution of the problem. n is a number of independent material parameters for an orthotropic material (n = 9 in this case). 2008). the island (also called distributed) version of the evolutionary algorithm is proposed in the present work. as a maximum number of iterations). Another improvement concerns the evaluation of fitness function. The average strains are computed on the basis of displacements obtained from the BEM analysis by their integration over the boundaries of the models. FORMULATION OF IDENTIFICATION PROBLEM The identification problem consists in finding the side lengths a1. S22. Two factors are taken into account in the parallelization strategy: wall time of computations and memory consumption.g. The maximum number of parallel ˆi F   si  s i 1 n (4) where si are computed homogenized material properties. The parallelization of the identification algorithm can be performed on at least three levels as shown in figure 2. from experiments). The procedure saves much time because solving of a boundary value problem is usually the most expensive operation in terms of time during the evolutionary process. The parallelization is hierarchical and the total number of parallel threads is equal to the multiplication of the parameters nLx for all three levels. The identification problem is solved by the evolutionary algorithm. 4. The same value of the objective function may be obtained for different number and other parameters of voids. 3. The fitness function defined by equation (4) is obtained by solving six boundary value problems with the use of the BEM and the homogenization procedure. The new generation is created on the basis of the offspring population during the selection process. The parallelization of the evolutionary algorithms is quite easy (Kuś & Burczyński. The efficiency of using a parallel algorithm is high especially for problems for which evaluation of a fitness function is long (from seconds to hours or in some cases days).e. a3 of the void in the unit cell model in figure 1 by minimization the following functional F dependent on the elements of the compliance matrix: phase. The loop of the algorithm is repeated until the end condition is fulfilled (expressed e.g. in which a population of chromosomes are processed in each iteration. the elements of the compliance matrix si ˆi are ref={S11. S55. on the first level the evolutionary algorithm. the initial population of chromosomes is generated randomly.INFORMATYKA W TECHNOLOGII MATERIAŁÓW relation between strains and stresses is formulated in an average sense. PARALLELIZATION OF IDENTIFICATION ALGORITHM The aim of parallelization of the identification algorithm is to obtain the results as fast as possible. S12. At the beginning.e. the value from the database is used. The memory usage by the algorithm is important because the methods used in the paper increase memory requirements. The design variables (the side lengths a1. S44. These strains provide the relevant terms in the compliance matrix S and thus the effective properties. In the considered process of identification solving of a boundary value problem is the most time consuming task. The developed algorithm uses a database containing an information about evaluated chromosomes and their fitness function. S66}. The parameter nLx is a number of threads used by a program on level x. S33. S13. s erence homogenized material properties related to a macromodel (e. The physical memory installed in a server should be taken into account during parallelization of the algorithm to prevent swapping memory to disk which may lead to much longer wall time of computations. In the next step. S23. It prevents from the evaluation of fitness function for chromosomes which have the same genes. a2. i. the randomly chosen chromosomes and their genes are modified by using evolutionary operators. If this is the case. The chromosomes between subpopulations can be exchanged during a migration COMPUTER METHODS IN MATERIALS SCIENCE – 254 – . Identification problems belong to a class of illdefined problems and the uniqueness of the solution is not guaranteed. on the second the computational homogenization procedure and on the third the BEM program for the solution of a boundary value problem (parallel system of equations solver . a2. In order to improve the evolutionary process of the algorithm and speed up the computations.PSS). It uses few subpopulations of chromosomes which evolve separately. On each level different program of the developed system consisting of three modules is applied. Then the values of the objective function (fitness function) for all chromosomes are calculated.

217 0. Several steps of the BEM algorithm can be parallelized. The unit cell size is 111 mm. The memory consumption is nL1 times larger than in the case of a sequential algorithm. are imposed and each is within the range The tests were performed with the use of a server Dell PowerEdge R515. The orthotropic properties of the reference material are shown in table 1. In the BEM the full matrices are created thus the standard algorithms like LAPACK can be used in order to solve a system of algebraic numerical equations. a3. The elements of the reference compliance matrix were obtained for an actual void and its side lengths shown in table 2.318 S13 -0.300 0.200 0. A hierarchical parallel structure of identification algorithm a1 a2 a3 0. each with 16 cores (8 floating point units). 2.5 13. 2.5 6. The parallel approach is realized with the use of an Intel MKL library. number of chromosomes is 20. for example 10. parameters of the evolutionary algorithm are the same as in the previ- – 255 – COMPUTER METHODS IN MATERIALS SCIENCE threads nL1 is equal to the total number of chromosomes. Actual and found void side lengths Void parameter Actual Found Error % .319 8.317 S33 1. the side lengths a1. number of iterations is 50. 20. The parallelization on level 2 is related with the parallel computational homogenization.400 0.346 0. For each test the prescribed traction to a wall of the unit cell is p = 1 MPa. The boundary value problem is solved with the use of the BEM on third level of parallelization.0 GPa and Poisson’s ratio  = 0. a2. NUMERICAL TESTS A geometry of the considered RVE is presented in figure 1. In all tests.763 5.780 S66 2. The memory amount is a sum of memory requirements for the evaluation of a fitness function for each chromosome. 50. The linear elastic material properties of the microstructure are as follows: Young’s modulus E = 1. The results of identification and an error with respect to the actual void are shown in table 2.319 S22 1. The parameters of the evolutionary algorithm are as follows: number of genes is 3. The constraints on design variables. The corresponding value of the objective function is F = 0. The maximum number of parallel tasks is 6 for a 3D problem. The most important is parallelization of solving of the system of equations.e. Table 2. probability of simple crossover with Gaussian mutation is 90%. The parallelization increases the memory requirements for computations.027 GPa-1.3. 3 or 6 in order to use all cores equally.05 to 0. probability of uniform mutation is 10%.076 S12 -0.INFORMATYKA W TECHNOLOGII MATERIAŁÓW Fig.057 S44 2.3 Table 1. of 0. Homogenized properties of the reference material Material parameter Value [GPa-1] S11 1. resulting in 192 elements for the whole model. The homogenization procedure runs 6 BEM analyses therefore the number of parallel tasks should be 1. The homogenization procedure consists of boundary value problems solved in a parallel way and sequential algorithm which computes homogenized material properties.729 S55 2. The parallel evolutionary algorithms that use the floating point representation operate on small populations of chromosomes. Each outer wall of the unit cell and inner wall of the void is divided into 16 quadratic boundary elements. The server contains two processors AMD Opteron 6272.85 mm. i.050 S23 -0.

2012. LNCS. Chen.. Eng.. Eindhoven. Yan.19 6. 319-331.. T. Kuś.. The advantages are valuable and can be exploited in more complex problems dealing for instance with numerical homogenization and optimization or iden- – 256 – . Z.09 3. Anal. F. Kouznetsova. The parallelization on the level 3 (tests 1-6) is not efficient due to a partial parallelization of the BEM algorithm..F... 855870. Burczyński.. 2003.. The speedup is computed in a reference to results for the test 1.J. E. H. J. The times of identification for all tests are presented in table 3. Düster. 2005. The main advantage of using the BEM in analysis is its high accuracy and that it requires discretization only the outer boundary of the considered models.56 8. 50. 17-29. Appl. and finite element approach. Gao. Molecular statics coupled with the subregion boundary element method in multiscale analysis. Y. Eng. Liu. ABBI. The scientific research has been financed by the Ministry of Science and Higher Education of Poland in years 2010-2012. the total number of cores which may be used in computations is equal to 108.. Rank. Wasniewski. 29. T. respectively.. Boundaryelement parallel-computing algorithm for the microstructural analysis of general composites.. COMPUTER METHODS IN MATERIALS SCIENCE 15 16 6.. X. 2008. Multiscale modeling of osseous tissues. 413-431. Wyrzykowski.. W. 513-523. W.C. W.W. 1285-1292. 8.. 2010a. 88.78 1. REFERENCES Arújo. The maximum number of parallel evolutionary algorithm threads is 18.G. Davies. eds.66 6. Genetic algorithms + data structures = evolutionary algorithms. Michalewicz. 2005. The time of computations is reduced from about 6 hours to about 40 minutes when one core and the parallel approach is applied. A. d’Azevedo. L. Bound. parameters defining geometry of a void were successfully identified. J. PPAM 2007. Mech. In the future the authors plan to use a cluster with more number of cores to check the scalability of the presented approach. Burczyński. Cambridge. Cambridge University Press. Mrozek A. A three-dimensional unit-cell model of a porous material is modelled and analyzed by the boundary element method (BEM). Gray.. Berlin. Brodacka. The maximum value of the nL1 parameter is 18 (which corresponds to a maximal number of chromosomes evaluated in each iteration of the evolutionary algorithm).L. Theor.. Kuś.18 1. G. In numerical examples. Table 3.. 2002.. Cambridge University Press. 2010b. PhD thesis. the hierarchical parallelization of the algorithms was developed. Z.G. J. R. Times of identification for different number of tasks Test 1 2 3 4 5 6 7 8 9 10 11 12 13 nL1 1 1 1 1 1 1 2 2 1 6 2 16 8 3 6 nL2 1 1 1 1 1 2 1 2 6 1 6 1 2 6 3 nL3 1 2 4 8 16 1 1 1 1 1 1 1 1 1 1 Number of threads 1 2 4 8 16 2 2 4 6 6 12 16 16 18 18 Time [s] 21 220 18 136 17 983 17 112 16 449 11 937 12 039 6 861 5 975 5 802 3 426 3 213 2 806 2 549 2 539 Speedup 1 1. Sehlhorst. T. The parallel evolutionary algorithm and the homogenization procedure are characterized by a similar efficiency (tests 7-16). 2002.. Burczyński. Fang... The results of numerical tests with wall time measurements for different number of cores are shown..36 tification. X. W... Computational homogenization for the multi-scale analysis of multi-phase materials. asymptotic homogenization. L. Górski R.. Kuś. T.. Comput. J. Dongarra..60 7. the homogenization allows 6 parallel threads. Springer-Verlag. Mechanics of composite structures. Mech. 4967. Springer. Numerical homogenization of heterogeneous and cellular materials utilizing the finite cell method. An advanced 3D boundary element method for characterizations of composite materials. Struct. Int. 48. Boundary element programming in mechanics. Shokoufandeh. Sun. Elem. K.S.. Kollár. W.17 1.29 1. CONCLUSIONS The identification of the size of a pore in a micro scale model on the basis of parameters in a macro scale is considered in this work. Parallel Bioinspired Algorithms in Optimization of Structures.P...55 3.. 1996. Acknowledgements.. C. V. Homogenization of heterogeneous tissue scaffold: A comparison of mechanics.32 8. Multiscale Comput.. 2. A. Technishe Universiteit Eindhoven.J. In order to solve the problem. 2010. Karczewski.INFORMATYKA W TECHNOLOGII MATERIAŁÓW ous example. E.. Comput. Regli..76 3. Cambridge New York. A.24 1. 773-784..

2012 – 257 – COMPUTER METHODS IN MATERIALS SCIENCE . Zastosowany algorytm do identyfikacji charakteryzuje się hierarchiczną budową pozwalającą prowadzić obliczenia w sposób równoległy na trzech różnych poziomach. Pokazano sposób wyznaczania macierzy podatności mikrostruktury porowatej. 2012 Received in a revised form: October 22. Metoda jest bardzo dokładna i dla rozważanego zadania wymaga jedynie dyskretyzacji zewnętrznego brzegu modeli. Wykorzystano równoległy algorytm do obliczeń ewolucyjnych. Przeprowadzono testy skalowalności algorytmu z użyciem serwera zawierającego osiem jednostek zmiennoprzecinkowych. Received: October 11. na podstawie zhomogenizowanych parametrów materiałowych. Trójwymiarowy model komórki jednostkowej mikrostruktury porowatej modelowany i analizowany jest metodą elementów brzegowych (MEB). w którym poszukiwany jest rozmiar pustki. Zrównoleglono także rozwiązywanie zadań brzegowych za pomocą MEB oraz wyznaczanie zastępczych własności materiałowych metodą numerycznej homogenizacji.INFORMATYKA W TECHNOLOGII MATERIAŁÓW RÓWNOLEGŁA IDENTYFIKACJA PUSTEK W MIKROSTRUKTURZE Z WYKORZYSTANIEM METODY ELEMENTÓW BRZEGOWYCH ORAZ ALGORYTMU INSPIROWANEGO BIOLOGICZNIE Streszczenie W pracy przedstawiono zagadnienie identyfikacji rozmiaru pustki w skali mikro. Macierz jest wykorzystana do sformułowania funkcji celu w zagadnieniu identyfikacji. Jako rezultat zastosowania algorytmu o budowie hierarchicznej oraz MEB uzyskano znaczne przyśpieszenie i dokładność obliczeń. 2012 Accepted: October 29.

Poland *Corresponding author: muszka@agh. 2 APPLICATION OF THE THREE DIMENSIONAL DIGITAL MATERIAL REPRESENTATION APPROACH TO MODEL MICROSTRUCTURE INHOMOGENEITY DURING PROCESSES INVOLVING STRAIN PATH CHANGES KRZYSZTOF MUSZKA*. High strain gradients. lead to high inhomogeneity of microstructure and make the prediction of the final material’s properties especially complicated. 1999. 13. ŁUKASZ MADEJ AGH University of Science and Technology. multiscale modelling. precipitation and phase transformation kinetics during hot deformation of steels. material undergoes complex loading history that introduces significant inhomogeneity of the strain. In some metal forming processes. 30-059 Kraków. Problem of strain path change on the microstructure evolution and mechanical behaviour has been widely studied. Computer modelling needs to be involved in order to learn how to control the microstructure and ISSN 1641-8581 258 – 263 . 2004). both theoretically and experimentally (Davenport et al. Strain path changes applied during cold deformation also play important role in the control of strain and microstructure inhomogeneity. in turn. Jorge-Badiola & Gutierrez. Proper control of those parameters is very difficult and can be effectively optimised only if the numerical tools are involved. strain path changes 1. INTRODUCTION During manufacturing processes. detailed information on strain inhomogeneities was obtained in both investigated processes. Understanding of the strain path in the light of aforementioned problems is therefore of paramount importance. Faculty of Metals Engineering and Industrial Computer Science. however there are still limitations in the modelling of processes that are characterised by non-linear and non-symmetrical deformation modes.COMPUTER METHODS IN MATERIALS SCIENCE Informatyka w Technologii Materia ł ów Publishing House AKAPIT Vol. High local strain accumulation leads to significant grain refinement and significantly improves strength of the material but in some cases (severe plastic deformation methods) decreases ductility of the material. Existing numerical tools are powerful and offer various possibilities. Mickiewicza 30. metal may be subjected to complex strain path changes that introduce high level of both deformation and microstructural inhomogeneity and make the prediction of material behaviour extremely difficult. 2013. No. It has been found that this processing parameter significantly retards recrystallization. The 3D Digital Materials Representation approach is presented and introduced in the present paper into a multiscale finite element model of two metal forming processes characterised by high microstructural gradients: the cyclic torsion deformation and the Accumulative Angular Drawing (AAD). Key words: 3D digital material representation. Due to a combination of the multiscale finite element model with the DMR approach.pl Abstract The present paper discusses possibilities of application of the 3D Digital Materials Representation (DMR) approach in the light of the multiscale modelling of materials subjected to the complex strain paths.edu.

Computer modelling of such problems can put some new insight into understand- – 259 – COMPUTER METHODS IN MATERIALS SCIENCE . however. In the case of 2-pass ed. dislocation density in the reversed structure is lower. whereas in 1. In both cases.092C-30.3Ni-1.%Ni. 2011).25 per pass (8-passes in total) were applied. 2011) technique. In the first case. where occurrence so called Bauschinger effect – due to microstructure is explicitly represented by properly rearrangement of the substructure upon reversal the divided heterogeneous finite element a) b) c) mesh. based on the flow curves it can be seen 2. optical microstructures of the deformed samples using deformation route Angular Drawing (AAD) process of the 1 and 2 -b). the initial austenite microing deformation take place at various scales. In the present paper. The initial microstructure of the studied material represented by EBSD map is shown in figure 1. c. 4 cycles of forward/reverse with strain of 0. 2. the 3D Digital Materials Representation approach is presented and incorporated into a multiscale finite element model of two metal forming processes characterised by high microstructural gradients.67Mn-1. they are widely used to model the austenite phase of those materials. As most of the microstructural phenomena durdeformation. the original shape of austenstrain path changes requires 3D models to be creatite grains has been restored.1.-c) respectively. The first case study involves cyclic torsion deformation of the FCC structure. Two deformation routes were applied. 2-passes of deformation with the strain of 1 per pass and only one reversal were applied. The present study confirmed that strain path effect represent one of the most important processing parameters characterising hot metal forming processes. Solid bar torsion specimens with gauge length of 20mm and gauge diameter of 10mm were machined out of the solution treated plate. Torsion test was carried out using servo-hydraulic torsion rig at 840ºC with strain rate of 1/s.19Si (in wt. Fig. both with the same equivalent total strain of 2.51Mo-0. mulstructure has been subdivided into well-developed tiscale modelling approach should also be considlamellar structures separated by high angle grain ered.INFORMATYKA W TECHNOLOGII MATERIAŁÓW deformation inhomogeneity during complex loading Deformed microstructures observed using optiprocesses. In the second case.. Proper representation of the microstructural boundaries (Sun et al. structure. the the recently developed Digital Materials Representastrain level upon reversal is lower what suggests tion (DMR) (Madej et al. simulation of deformation involving complex seen that in both cases. BCC structure is modelled.. Accumulative Fig. Additionally. Due to nonlinearity and lack of symcal microscopy are shown infigure1 b. EXPERIMENTAL INVESTIGATION that this effect has been multiplied in the 8-pass test. 2. It can be metry. Flow curves recorded during cyclic torsion deformation of Fe-30wt. %). Since in Fe-30wt%Ni systems austenite phase is stable down to room temperature and they are characterised by similar Stacking Fault Energy and high temperature flow behaviour as low carbon steels. Electron Backscatter Diffraction (EBSD) map of the initial austenite microthe second case study. Various austenite state as an effect of different strain path in steel is crucial since it affects the subsequent phase transformations and thus its products what in turn has an effect on the properties of the final materials. Forward/reverse torsion test The effect of strain reversal on austenite subjected to strain path reversal was studied in torsion using model alloy system with a chemical composition of 0. The recorded flow features can be effectively done with utilisation of curves are summarized in figure 2.

The model is – 260 – . and an isotropic hardening component describing the change of the equivalent stress defining the size of the yield surface. with homogenous equiaxed ferrite microstructure and the mean grain size of 15μm. The presented work confirmed that the strain path applied in the AAD process affects directly the microstructure and texture changes in the final product. NUMERICAL INVESTIGATION In order to carry out the study of the AAD process. 3.07Nb/0.e. 2010). σ0 is the yield stress at zero plastic strain and Q∞ and b are material parameters.2. and desired shear deformation. is the number of backstresses. Calculations were performed using Abaqus Standard/Explicit package. size and distribution on the transverse cross section on the processing route is clearly seen in figure3. αk is the backstress.27Si//0.5mm diameter wire rods were drawn down to the diameter of 4 mm through the set of three dies (in two passes of drawing) with the total strain of 0. a special die was designed such that an ordinary drawing bench could be used (Wielgus et. in the areas near the surface. with various intensities. a) b)  k  Ck      pl   k  k  pl . Euler angle maps of the deformed wires taken near the surface –b) and in the centre –d) of the longitudinal cross section of the deformed wire. as a function of plastic deformation: c) d) COMPUTER METHODS IN MATERIALS SCIENCE Fig. Again numerical modelling can be a valuable support to the experimental research on these effects.     k 0  k 1 1 N (1) where. i. strain accumulation in the outer part of the wire due  0   0  Q 1  e  b    (2) where. Although the AAD design allows various combinations of die positioning to be used. It is a combined effect of: reduction of the area. Microalloyed steel (0. 2.07C/1. σ0 the equivalent stress defining the size of the yield surface and Ck and γk are material parameters. in which the offset from the drawing line between the successive dies was equal to 15°. the present study was concentrated on the stepped die positioning. 1990). substantial grain refinement was achieved in the transverse section of the wires. material behaviour was described using elasto-plastic model with combined isotropic-kinematic hardening (Lemaitre & Chaboche. The evolution law of this model consists of the two main components: a nonlinear kinematic hardening component which describes the translation of the yield surface in stress space through the backstress α: Optical and electron microscopy observations have shown high level of microstructure inhomogeneity. The refinement of the microstructure is localised in the near-surface layers. In both cases. al..INFORMATYKA W TECHNOLOGII MATERIAŁÓW ing and optimisation of the processes carried out with strain path changes. N. Accumulative Angular Drawing (AAD) process to bending/unbending process. 3. The 6.97. however. The dependence of grain shape. Initial microstructures of the studied material taken in the longitudinal –a) and transverse –b) cross-section. Grains were also elongated along the wire axis. was used in this study. The main aim of the present work was to study whether combination of the multiscale finite element modelling with 3D DMR approach can be used to effectively model complex deformation processes that were described in the previous chapter.37Mn/ 0.009N) supplied as a wire rod.

however macro scale model neglects inhomogeneities occurring along microstructure features. 5. global model with 42000 eight-node hexagonal reduced integration elements with hourglass control (C3D8R) was realized using Abaqus Explicit. Its Fig. the analysis was replicated on the smaller cylindrical area (10mm long) subdivided from the global model using Abaqus Standard and much finer mesh was used. Due to presented advantages authors decided to apply the same approach to model the AAD process.1. Multiscale model of the AAD process due to its complexity requires two steps of submodelling as presented in figure 7. twist angle. Multiscale model of the cyclic torsion test. calibrated based on a halfcycle test data (unidirectional tension or compression). Drawing of 300 mm long wire with the initial diameter of 6. Multiscale model of the AAD process . Fig. b. It can be seen that the application of the multiscale modelling approach and its combination with 3D DMR approach resulted in much higher accuracy of the results compared to simulation using only the global model (figure 6a). Next. Global material response obtained from both models can be similar to some extend. Submodelling technique was used to bridge different scales.1. First. Macro scale model is unable to provide such detailed results. 4. The parameters of the combined material hardening model applied in the submodel were additionally diversified using the Gauss distribution function to reflect differences in the crystallographic orientations. Additionally 3D DMR properly captured not only inhomogeneites in stress or strain state but also grain shape changes – as an effect of strain reversal (figure 6c). It can be seen that the divergence of the model and experiment is good what proves the accuracy of the applied methodology. 3.INFORMATYKA W TECHNOLOGII MATERIAŁÓW based on the two major model parameters Ck (the initial kinematic hardening moduli) and γk (rate at which the kinematic hardening moduli decrease with increasing plastic deformation). Comparison of the measured and calculated torque vs. angle data calculated using calibrated hardening model and data measured experimentally (cyclic torsion test) are presented in figure 5.5mm was modelled. A unit cell (100 μm 100 μm  100 μm) with 37 grains was created to capture the effect of the process on inhomogeneity of both strain and microstructure. Example of the comparison of the torque vs. Finally. Multiscale model of the cyclic torsion test original position was then restored after strain reversal and application of the second pass of deformation with the same strain level applied in the opposite torsion direction. Tools were meshed with quad-dominated discrete rigid elements (R3D). or can be obtained based on the test data from a stabilized cycle (when the strain-stress curve no longer changes shape from one cycle to next). the submodel was generated using the DMR approach and calculations were performed again. Furthermore. The multiscale model of the torsion test was designed as seen in figure 4. Global model of strain gauge was prepared and analysed using Abaqus Standard code. It can be seen that the first pass of cyclic deformation caused grain rotation. Parameters of the model have been identified using inverse approach based on data from cyclic torsion test that was performed on studied materials at both deformation temperatures. – 261 – COMPUTER METHODS IN MATERIALS SCIENCE 3. Equivalent von Mises stress distributions in the global model and in unit cell during the first forward/reverse cycle of torsion test are presented in figure 6a. second submodel was generated using the 3D DMR approach and calculations were performed again. These parameters can be specified directly.

6. 8. Multiscale model of the AAD process. Global model and unit cells attached at various positions of the wire’s cross-section. Examples of calculations. Fig.INFORMATYKA W TECHNOLOGII MATERIAŁÓW Fig. COMPUTER METHODS IN MATERIALS SCIENCE using Abaqus Standard. Set of 5 unit cells (100 μm x100 μm x 100 μm) containing 37 grains each was created to capture the effect of the process on inhomogeneity of both strain and microstructure. – 262 – . Von Mises stress distributions in global –a) and submodel –b) Equivalent plastic strain distribution in the selected grain –c) Fig. 7. Obtained global equivalent plastic strain distributions on the surface and on the transversal cross section of the drawn wire after the first pass are presented in figure 8. Equivalent plastic strain in drawn wire after 1st pass of drawing.

1999. CONCLUSIONS Two complex loading cases with high local strain accumulation were simulated using multiscale FEM model combined with 3D Digital Materials Representation approach. S.. FEM calculations were realised at ACK AGH Cyfronet Computing Centre under grant no: MNiSW/ IBM_BC_HS21/AGH/075/2010. 2012 – 263 – COMPUTER METHODS IN MATERIALS SCIENCE . 280-283. Madej. Future research will focus on application of the crystal plasticity model integrated with DMR what will even more extend predictive capabilities of the proposed methodology. gdy zostanie wsparta narzędziami numerycznymi. The 3D DMR approach show different levels of strain inhomogeneity.. Higginson. B. Odpowiednia kontrola tych parametrów jest utrudniona i może być efektywnie optymalizowana jedynie w przypadku. J. Wielgus. E. 2011. która charakteryzuje się dużą niejednorodnością odkształcenia. Effect of strain path on mechanical properties of wire drawn products.. R. f).L. Gutierrez. Acta Materialia. Cybulka. D. Mechanics of Solid Materials.. Wynne.. 490-493. I.. Podejście przedstawione w niniejszej pracy procesu zostało zastosowane do modelowania dwóch procesów przeróbki plastycznej charakteryzujących się zmienną drogą odkształcania: procesu cyklicznego odkształcania na drodze skręcania oraz procesu Kątowego Wielostopniowego Ciągnienia (KWC). 2012 Accepted: December 11. Muszka. J. Philosophical Transactions of the Royal Society of London A. The effect of strain path reversal on high-angle boundary formation by grain subdivision in a model austenitic steel.. J..J. P. P. L. The effect of strain path on material behaviour during hot rolling of FCC metals.. Sun.. L. Cambridge University Press. Jorge-Badiola.. ZASTOSOWANIE TRÓJWYMIAROWEJ CYFROWEJ REPREZENTACJI MATERIAŁU DO MODELOWANIA NIEJEDNORODNOŚCI MIKROSTRUKTURY W PROCESACH CHARAKTERYZUJĄCYCH SIĘ ZMIENNĄ DROGĄ ODKSZTAŁCENIA Streszczenie W pracy przedstawiono możliwości wykorzystania trójwymiarowej Cyfrowej Reprezentacji Materiału do wieloskalowego modelowania materiałów odkształcanych w warunkach zmiennej drogi odkształcania. Received: October 17. 2004. 2010. Perzynski. 357. Rauch L. Steel Research International. 2011. N N508583839) is gratefully acknowledged. 1990. Duży gradient odkształcenia prowadzi z kolei do niejednorodności rozwoju mikrostruktury i powoduje. C. 1645-1661. 5.B. Majta. localisation and distortion across subsequent grains resulting from the AAD process. REFERENCES Davenport..INFORMATYKA W TECHNOLOGII MATERIAŁÓW It can be noticed that the inhomogeneity of strain that is characteristic for this deformation process was properly captured by the applied model. Acknowledgements. że przewidywanie własności wyrobu finalnego staje się szczególnie skomplikowane. Scripta Materialia. Digital Material Representation as an efficient tool for strain inhomogeneities analysis at the micro scale level. M. much more detailed information regarding strain localisation and inhomogeneities can be extracted from the submodels in comparison to macro scale model predictions. Palmiere. Archives of Civil and Mechanical Engineering. Sellars.. Financial support the Polish Ministry of Science and Higher Education (grant no. 2012 Received in a revised form: November 26. e. Lemaitre.M. Łuksza. 81. K. Study of the strain reversal effect on the recrystallization and strain-induced precipitation in a Nb-microalloyed steel. K.Chaboche. 52... 11.P. Based on the presented modelling results it can be concluded that the applied modelling strategy was able to catch most of the important phenomena accompanying processes with complex deformation modes with reasonably good accuracy. W pracy wykazano.. Higher strain accumulation near the wire surface was also predicted by the computer model (figure 8d. J. W procesach przeróbki plastycznej materiał poddawany jest złożonej historii odkształcania. It can be seen that application of the 3D DMR approach for the modelling of AAD can be an effective support of the experimental research. 64.L. Packo. Again. że połączenie wieloskalowego modelu MES wraz z trójwymiarową Cyfrową Reprezentacją Materiału wpływa na znaczą poprawę dokładności uzyskiwanych wyników w przypadku modelowania niejednorodności odkształcenia w rozpatrywanych procesach przeróbki plastycznej... 333-341. 661-679..

This approach is especially convenient in the case of boundary element method application (this method is used at the stage of numerical algorithm construction). y )  λe  e 2    0.COMPUTER METHODS IN MATERIALS SCIENCE Informatyka w Technologii Materia ł ów Publishing House AKAPIT Vol. 2013. The equation (1) is supplemented by the typical boundary conditions. The steady temperature field in domain considered is described by two energy equations (the Laplace equations).majchrzak@polsl. this means ( x. 2 ( x. at the same time the position of internal interface is unknown. To solve the inverse problem the gradient method is used. continuity condition given on the contact surface and the boundary conditions given on the external surface of domain. Ta is the ambient temperature. α is the heat transfer coefficient. y denote the temperature and spatial co-ordinates. x. No. On the surface between sub-domains the continuity of heat flux and temperature field is assumed. 13. inverse problem. in particular where Γex is the external surface of domain marked in figure 1. λe is the thermal conductivity.  y2   x e  1. Key words: heat transfer. respectively. T. y )  2Te ( x. y ) 2  1 (3) 264 – 268 ISSN 1641-8581 . Konarskiego 18a.pl Abstract The non-homogeneous domain being the composition of two sub-domains is considered. y )  Ta  n (1) where index e corresponds to the respective subdomains. boundary element method 1 1. From the practical point of view the points X should be located at the external surface of the system. Bankowa 8. BOHDAN MOCHNACKI2 Institute of Computational Mechanics and Engineering. y )   ex : (2)  λ1 T1 ( x. y )   e :   2T ( x. Silesian University of Technology. ∂T1 /∂n denotes the normal derivative. Poland 2 Higher School of Labour Safety Management. 2 IDENTIFICATION OF INTERFACE POSITION IN TWO-LAYERED DOMAIN USING GRADIENT METHOD COUPLED WITH THE BEM EWA MAJCHRZAK1*. y )   λ2 2 λ1 n n   T ( x. The additional information necessary to solve the identification problem results from the knowledge of temperature field at the set of points X selected from the domain analyzed. INTRODUCTION The following boundary value problem is considered ( x. y )  α T1 ( x. Poland *Corresponding author: ewa. y )   c :  T1 ( x. 44-100 Gliwice. In the final part of the paper the examples of computations are shown.40-007 Katowice. y )  T ( x . y )  T ( x. gradient method. The sensitivity coefficients appearing in the final form of equation which allows one to find the solution using a certain iterative procedure are determined by means of the implicit approach of shape sensitivity analysis.

y)/n. 2001) external surface ex  G eq e  H e Te (9)   c   Now.  x in of functions T and q at the boundary Γ1Γ2Γex of domain Ω1. 2 are the vectors 2. . y) Te ( x. 2012. . q1 q1 . x.g. q 3 q4 q in 2. )   (10)  for sub-domain Ω2 q c 2   q3  4  2   G2   q in    H c 2 2  4   q2   Tc 2   T3    2 H4 2  T2in   4   T2   e  T (. 2010). q c 2 are the vectors of functions T and q on the contact surface Γc between sub-domains Ω1 and Ω2. y ) d  (7) n 2r 2 (8) while d  ( x  ) nx  ( y  )n y In numerical realization of the BEM the boundaries are divided into boundary elements and the integrals appearing in equations (5) are substituted by the sums of integrals over these elements. y where r is the distance between the points (. y)de * (5)  G c 2 G3 2 G in 2 H3 2 H in 2 where B(. T1ex . 1992 . . )Te (.INFORMATYKA W TECHNOLOGII MATERIAŁÓW On the internal surface in (c. thermographs).f. y )   e Te* (.  Tc1 . y) is the fundamental solution (11) The continuity condition (3) written in the form q c1  q c 2  q   Tc1  Tc 2  T (12) – 265 – COMPUTER METHODS IN MATERIALS SCIENCE  q1  1  ex  q1  H1 H ex G c1  1   q2     1 1    qc1    T11   ex  T1  H c1    T2  1   T   c1   . )   e : * e B (. (x. x. when the thermophysical and geometrical parameters appearing in the mathematical model of the process considered are given then the direct problem is formulated and the temperature distribution in the domain  can be found. SOLUTION OF DIRECT PROBLEM BY MEANS OF THE BOUNDARY ELEMENT METHOD The boundary integral equations corresponding to the Laplace equations (1) are the following (Brebbia & Dominguez. y)de = e  qe (. ny] and Te*(. figure 1)  T11 . .. Majchrzak. )(0. x. 1) is the coefficient connected with the local shape of boundary. The inverse problem considered here bases on the assumption that the temperature distribution at the boundary Γex is known (e. () is the observation point. figure 1) the Dirichlet condition is taken into account Te* (. y )  1 1 ln 2 e r (6) ( x. Romero Mendez et al. the following notation is introduced (c. q1 1. 2 ex are the vectors T12 . q c1 .f. x.  T23 . 2001) of functions T and q at the boundary Γ3Γ4Γin of domain Ω2 and then one has  for sub-domain Ω1 1 ex   G1 G1 2 G1 2 H1 (. y) and * qe (. Fig. while the position of Γc is unknown (Ciesielski & Mochnacki. Tc 2 . . After the mathematical manipulations one obtains two systems of algebraic equations (Majchrzak. qe(x. 2. y) = - e Te (x. y )  in : T2 ( x. . As is well known. 1. y )  Tb (4) On the remaining parts of boundary the no-flux condition can be accepted. ). x. T2in . y) qe ( x. n = [nx. Domain considered T24 . x.

In this paper the real measurements are substituted by the temperatures Ti obtained from the direct problem solution for arbitrary assumed position of points (xn. Majchrzak et al. The surface Γc is defined by the set of points (xn. while for k > 0 it results from previous iteration. From the system of equations (18) the values bjk+1 are calculated.... n = 1. respectively.INFORMATYKA W TECHNOLOGII MATERIAŁÓW allows one to couple the equations (10). 2011. The system of equations (14) allows one to find the . b2. 2. basing on the differentiation of algebraic boundary element matrix equations (14) is applied.missing’’ boundary values. 2. N (16) where A is the main matrix of the system of equations (13). …. Knowledge of nodal boundary temperatures and heat fluxes constitutes a basis for computations of internal temperatures at the optional set of points selected from the domain considered. N (18) where  T U ik... 1997. Here the implicit differentiation method. Y is the vector of unknowns and B is the free terms vector.  bn n  1. Freus et al. . j 1 U ik. 2012).. bn . one obtains  T11   ex  T1   T12    ex 0   T   αG 1 Ta      4  in  G 2 Tb  H 2  q   3  T2   q in   2 4   T2     H1 1  0  ex ex αG1  H1 0 2  H1 0  H c1 H c 2 G c1 G c 2 0 H3 2 0 G in 2 (13) or AY  B (14) S 2   bn M  (T i 1 M i  Td i )  Ti  0. SOLUTION OF INVERSE PROBLEM USING GRADIENT METHOD COUPLED WITH THE BEM The function Ti is expanded into the Taylor series taking into account the first derivatives N  T Ti  Ti k    i  j 1   b j  (b k 1  b k  j ) (17)  k j b j  b j where bj0 is the arbitrary assumed value of parameter bj. . . . are the sensitivity coefficients. Burczyński. . So. (11). 2. bN which correspond to the co-ordinates yn shown in figure 2. 2003)  T i 1 di  Ti k U ik. . which belongs to the discretized approach. The criterion which should be minimized is of the form (Kurpisz & Nowak.. The aim of investigations is to determine the values of shape parameters b1. the system of equations (14) should be differentiated with respect to parameter bj and then A Y B Y+A  b j b j b j or (20) – 266 – . yn). j   i   bj     k b j  b j (19) S (b1 . Ti are the temperatures known from the measurements and calculated ones. while the position of Γc is unknown. 1995. bN )  1 M  (T i 1 M i  Td i ) 2 (15) where Tdi . N. . n (bk  bk j j )  COMPUTER METHODS IN MATERIALS SCIENCE The inverse problem considered here bases on the assumption that the temperature distribution at the boundary Γex is known. n  1. 3. . yn). To determine the sensitivity coefficients the methods of shape sensitivity analysis are used (Kleiber. Introducing (17) into (16) one has  U i 1 j 1 M M N k i. Taking into account the remaining boundary conditions finally one obtains Using the necessary condition of optimum. . n  0. . …..

011 m (the different start points allow ones to observe the course of iteration process). heat transfer coefficient α = 10 W/(m2K).INFORMATYKA W TECHNOLOGII MATERIAŁÓW A  Y  B A   Y b j b j b j (21) It should be pointed out that the derivatives of the boundary element matrices are calculated analytically (Majchrzak et al. 4. It is visible that – 267 – COMPUTER METHODS IN MATERIALS SCIENCE . 0. Temperature distribution at the external surface Fig. 3. Fig.2 W/(mK). yp) = (0. λ2 = 0. 8 L( x  L) 2  y p x ( x  2 L) L2 Fig. Fig. Results of identification – variant 1 The identification problem has been solved under the assumption that the temperatures at the nodes from 5 to 23 (figure 2) are known and the initial position of internal boundary is described by function (22) where yp = 0. The shape of internal surface Γc has been assumed in the form of parabolic function (in this place the optional shapes can be taken into account) y ( x)  0. 29 shape sensitivity coefficients corresponding to the y co-ordinate of nodes from 29 = 68 to 47 = 50 (figure 2) has been distinguished. To solve the inverse problem. So.1 W/(mK). Discretization of boundaries In figure 3 the temperature distribution in the domain considered is presented.f. RESULTS OF COMPUTATIONS The domain of dimensions 2LL (L = 0.f. condition (4)).012 m) is the tip of parabola. The nodes 28 and 48 are fixed – c. equation (20).015 m or yp = 0. (22) where (L. while figure 4 illustrates the course of temperature at the external surface.02 m) shown in figure 1 has been considered. 4. 2. The following input data have been introduced: thermal conductivities λ1 = 0.f. the direct problem described in the chapter 1 has been solved.. ambient temperature Ta = 20oC (c. 29 additional problems connected with the determination of sensitivity functions have been formulated. 5. 2011). At first. Temperature distribution in the domain considered .02 m. condition (2)). boundary temperature Tb = 37oC (c. The discretization of boundaries using the linear boundary elements is shown in figure 2. In figures 5 and 6 the results of computations are shown.

J. Ciesielski. Majchrzak. Maier. Kurpisz. Romero Mendez. Model matematyczny procesu tworzy układ równań eliptycznych (równań Laplace’a).J. Freus. warunki idealnego kontaktu na powierzchni kontaktu i warunki zadane na powierzchniach zewnętrznych.. K. Shape sensitivity analysis. It should be pointed out that both from the mathematical and numerical points of view the problem is rather complicated. Sensitivity analysis. 1. New York. The algorithm proposed allows one to identify the complex shapes of internal boundary (the co-ordinates yn are estimated separately).. Numerical analysis of interactions between skin surface temperature and burn wound shape. 6.. Freus... Boundary elements. Implicit approach using boundary element method. Eberhardstei- – 268 – . Freus.Wiley & Sons Ltd... F. 2011. WYKORZYSTANIE METODY GRADIENTOWEJ I MEB DO IDENTYFIKACJI KSZTAŁTU GRANICY MIĘDZY PODOBSZARAMI W DWUWARSTWOWYM NIEJEDNORODNYM OBSZARZE CIAŁA STAŁEGO Streszczenie W pracy rozpatruje się niejednorodny obszar ciała stałego będący złożeniem dwóch podobszarów.J. E. E. eds. E. Rozwiązanie zadania uzyskano metodą gradientową. CONCLUSIONS The algorithm proposed can be useful.. Kleiber. Mochnacki. 2012 Accepted: November 9. Gonzalez. Nowak.. among others. Austria. K. Freus. Vien. M. Rammerstorfer. an introductory course. Boundary element advances in solid mechanics. Scientific Research of the Institute of Mathematics and Computer Science. 245-307. 15-22. CD-ROM Proceedings of the 6th European Congress on Computational Methods in Applied Sciences and Engineering (ECCOMAS 2012). Identification of internal boundary position in two-layers domain on the basis of external surface temperature distribution. 1995. K. które jest szczególnie efektywne w przypadku zastosowania metody elementów brzegowych (tę metodę wykorzystano na etapie konstrukcji algorytmu numerycznego). a współczynniki wrażliwości występujące w układzie rozwiązującym wyznaczono wykorzystując niejawne podejście analizy wrażliwości.Boundary element method in heat transfer. McGraw-Hill Book Company.. Inverse Thermal Problems. W końcowej części artykułu zamieszczono wyniki obliczeń numerycznych. ner. G. Chichester. Publ. Computational Mechanics Publications. D. 2012 Received in a revised form: October 22..INFORMATYKA W TECHNOLOGII MATERIAŁÓW for exact input data the exact position of boundary is obtained and the iteration process is convergent. 2003. 1992.N. Burczyński. Majchrzak. In a similar way the 3D problems can be also solved. CMP. Beskos.. Results of identification – variant 2 6... SouthamptonBoston... 21-38. M. 2012. in the medical practice (estimation of wound shape on the basis of surface temperature distribution). Vienna University of Technology. Scientific Research of Institute of Mathematics and Computer Science. B.. S. T. Fig.A. Parameter sensitivity. 151-162. Analytical solution of a Pennes equation for burn-depth determination from infrared thermographs. Received: October 2. 2001. Majchrzak. Sen. but taking into account the practical applications it seems that the scientific research in this scope should be continued. A. Bohm. F.. Dominguez J. 2010. Jimenez-Lozano.. In the future the detailed research of iterative procedure convergence should be also done..J. 1997. H. Vienna. C. 27. Mathematical Medicine and Biology.. Mochnacki. 2012 COMPUTER METHODS IN MATERIALS SCIENCE REFERENCES Brebbia.. eds. Dodatkową informacją pozwalającą rozwiązać sformułowane w ten sposób zadanie odwrotne są wartości temperatury w punktach X wyróżnionych w rozpatrywanym obszarze.. 2012. Springer Verlag. R.G. 1. B. of the Czestochowa University of Technology. optimization and inverse problems. Z praktycznego punktu widzenia punkty przyłożenia sensorów powinny być zlokalizowane na powierzchni zewnętrznej pozostającej w kontakcie z otoczeniem. M. przy czym położenie powierzchni granicznej nie jest znane.. London. S. J. J.. Czestochowa (in Polish).

2 INFLUENCE OF THE SAMPLE GEOMETRY ON THE INVERSE DETERMINATION OF THE HEAT TRANSFER COEFFICIENT DISTRIBUTION ON THE AXIALLY SYMMETRICAL SAMPLE COOLED BY THE WATER SPRAY AGNIESZKA CEBO-RUDNICKA*. 30-059 Kraków. Numerical simulations can be used to determine the water flux which should be applied in order to ensure desired product temperature. which simplifies the sensor geometry to a cylinder and the second one. The heat transfer boundary condition in case of water cooling is defined by the heat transfer coefficient (HTC). finite element method 1. No. 2013. Key words: water spray cooling. that describes the real shape of the sensor. Because of the specific setup of the sensor used in investigations. Due to complex nature of the cooling process the existing heat transfer models are not accurate enough in the case of high temperature processes common in metal industry. Al. 2012).COMPUTER METHODS IN MATERIALS SCIENCE Informatyka w Technologii Materia ł ów Publishing House AKAPIT Vol. The proper cooling rate affects the final mechanical properties of products which strongly dependent on microstructure evolution processes. heat transfer coefficient. the direct measurements of the HTC by such methods as mass transfer or transient method that uses liquid crystals to measure the surface temperature cannot be used in the case of steel industry processes (Mascarenhas & Mudawar. Also. 2010. The first one. In the investigations the axially symmetrical sample has been used as a cooled object. The main goal in these case is to ensure sufficient heat transfer from the ingot surface to achieve a proper solidification structure. Mickiewicza 30. To determine the boundary condition over the metal surface cooled by water spray the inverse heat conduction problem has been used. ISSN 1641-8581 269 – 275 . boundary inverse problem.. AGH University of Science and Technology. Continuous casting lines are equipped with the water spray secondary cooling zones. INTRODUCTION In the metal industry the water cooling is widely used to control the product temperature variation in the production process. BEATA HADAŁA. Also. Malinowski et al.. TADEUSZ TELEJKO Faculty of Metals Engineering and Industrial Computer Science. the comparison between two different models employed to determine the heat transfer coefficient over the cooled sample surface have been presented. ZBIGNIEW MALINOWSKI. Department of Heat Engineering and Environment Protection. two finite element models have been tested in the inverse determination of the heat transfer coefficient. In the case of strip rolling mills the main cooling system is situated at run-out table to ensure the required strip temperature before coiling (Tacke et al.edu. The boundary condition models differ in description of the function that has been employed to approximate the heat transfer coefficient distribution over the cooled surface in the time of cooling. Poland *Corresponding author: cebo@agh.pl Abstract The paper presents the results of the heat transfer coefficient determination while the water spray cooling process. The industrial hot rolling mills are equipped with systems for controlled cooling of hot steel products. 1985. 13.

Descriptions of the model with linear shape functions has been presented in the paper of Gołdasz et al. The space between the cylinder and the housing has been filled with air. that allows to reduce the heat losses to the surrounding. The heat transfer boundary condition on the cooled surface of the metal cylinder has been expressed as a function of surface radius and time: . 2012). However. In the paper the results of the inverse calculation of HTC have been presented. Np –number of the temperature measurements performed by one – the sample sensor in the time of cooling. . λ – thermal conductivity. HTC can be determined as a function of cooling parameters and product surface temperature. The cylinder with flange. Ta – cooling water temperature. . The experimental investigations have been conducted for two materials: inconel and brass.NiAl thermocouples have been used. qv – internal heat source. Thermocouples have been placed in the symmetry axis of the cylinder in the distance of: 2. The calculations have been performed on the basis of temperature measurements inside selected points of axially symmetrical sample cooled by water spray. (2009). the flange which allows to join the cylinder and housing. In the finite element model employed to solve equation (2) linear shape functions have been used. flange and housing has been presented. . (2012). ρ – density. as well as housing have been made from the same material. 4 and 6 mm from the cooled surface. The experimental tests have been performed for two materials. .. . To measure the temperature inside the cooled sample three fast response. h – heat transfer coefficient. causes that the sample temperature field is not perfectly one dimensional. where: pi is the vector of the unknown parameters to be determine by minimizing the objective function. Fig. In inverse algorithm various heat conduction models and boundary condition models can be implemented. r. PROBLEM FORMULATION In the present study the boundary condition over the surface of the metal sample cooled by water spray has been sought. The sample has a form of a cylinder 20 mm in height and 20 mm in diameter. The top surface of the cylinder has been cooled by the water sprays. There. 2. – heat flux. Schematic illustration of the experimental setup employed for the determination of the heat transfer boundary condition. The cylinder has been completed with a flange 30 mm in diameter and 1 mm thickness and it has been placed in cylindrical housing. BOUNDARY INVERSE MODEL The HTC on the cooled surface of the cylinder can be determined from the inverse solution to heat transfer problem by minimizing the objective function defined as: ∑ ∑ (1) Variation of the heat transfer coefficient h at the metal surface in time of cooling has been approximated by two HTC models. – the sample temperature at the location of the sensor m at the time τn calculated from the finite element solution to the heat conduction equation: . (3) where: Ts – cooled sample surface temperature. NiCr . c – specific heat. In the second model (model B) HTC distribution over the cooled surface has been approximated by the witch of Agnesi type function with the expansion in time of the HTC parameters Cebo-Rudnicka et al. temperature measured by the sensor m at the time τn. 3. which differ substantially in thermal – 270 – . z – cylindrical coordinates. For such processes the best way to determine the HTC is to formulate the boundary inverse heat conduction problem (IHCP). . τ – time. COMPUTER METHODS IN MATERIALS SCIENCE 0 (2) where: T – temperature.INFORMATYKA W TECHNOLOGII MATERIAŁÓW Liu et al. In figure 1 the schematic illustration of the experimental setup which consists of the cylindrical sensor. 1. In the first model (model A) average HTC over the cooled surface as a function of the time of cooling and average sample surface temperature has been determined. Nt – number of the temperature sensors. .

95°C and has not decreased for the better definition of sample geometry (table 1).752 The inverse calculations performed on the basis of temperature measurements obtained for the spray cooling of brass sample have indicated a significant influence of the sample geometry description on the average HTC values (figures 4 and 5). Simultaneously heat conduction in radial direction is more significant. the simplification in sample geometry description to the perfect cylinder does not effects the average HTC for the mean sample surface temperature from 730°C to about 250°C (figure 3). The water flux was 38.924 7. two boundary condition models have been employed in equation (3) in order to determine the heat transfer coefficient on the sample surface. Further. During that processes the vapor film is formed on the cooled surface and it limits the heat transfer between the cooled surface and the cooling water. In case of water spray cooling of inconel sample. Inconel and brass samples have been selected for the study. The heat transfer in radial direction to the flange increases while the surface temperature decreases. 4. Because of the sensor construction two finite element models have been tested in the inverse determination of the heat transfer coefficient. °C 7. Neglecting the flange in the definition of the sample geometry has caused that the calculated values of HTC in the whole spray – 271 – COMPUTER METHODS IN MATERIALS SCIENCE . low heat conductivity of inconel causes that heat transfer to the flange is low and does not influence the average HTC in these two boiling regimes. Table 1.953 3.INFORMATYKA W TECHNOLOGII MATERIAŁÓW conductivity. In such a case heat transfer to the flange is much more important and the exact description of the cooled sample geometry plays an important role in the HTC identification. Inconel sample Case of study Average difference in temperatures. The average difference between measured and calculated temperatures at the thermocouples locations. This range of temperature corresponds to the film and transition boiling regimes that take place on the sample surface while water spray cooling process.418 Average HTC over the cooled surface calculated for simplified definition of the sample geometry in the finite element model Average HTC over the cooled surface calculated for exact definition of the sample geometry in the finite element model Radial distribution of HTC over the cooled surface calculated for simplified definition of the sample geometry in the finite element model Radial distribution of HTC over the cooled surface calculated for exact definition of the sample geometry in the finite element model 7. °C 4. RESULTS OF INVESTIGATIONS The results of the inverse calculations have allowed to determine the influence of the sample geometry description on the heat transfer coefficient identification. The water spray pressure in both testes was 1 MPa and water temperature was equal to 20°C.735 5. In figures 2 to 5 the comparison between HTC variations in the cooling process calculated for simplified and exact description of the sample geometry in the finite element model have been presented. The average difference between the calculated and measured temperatures has been equal to 7. Additionally. The thermal conductivity of the brass is much higher than the inconel one. The initial temperature to which the materials have been heated up was 730°C for inconel and 517°C for brass. In the case of the second model the cylindrical sample and the adapter ring (flange) have been described by the finite element mesh (the exact model). That results in significant increase in the HTC values. Therefore the sample geometry simplification in the finite element model to the perfect cylinder results in the HTC values about 10 percent higher if compared to those obtained with the real sample geometry description (with flange) in the finite element model of heat transfer (figures 2 and 3). These to processes affect the inverse determination of HTC.953 Brass sample Average difference in temperatures. Below 250°C (figure 3) the heat transfer process changes to the nucleate boiling. The temperature measurements logged while experimental tests have been assumed as an input data in inverse calculation of HTC.795 7. The figures present variations in the average values of HTC (boundary condition model A) versus the time of cooling (figures 2 and 4) and versus the average sample surface temperature (figures 3 and 5).6 kg/(m2·s) while cooling inconel sample and 1 kg/(m2·s) for cooling the brass sample. The first finite element model simplifies the sample geometry to the perfect cylinder (the simplified model).735 3.

s 20 25 Fig. 20000 perfect cylinder cylinder with flange 16000 HTC. Due to axially symmetrical problem only radial variation of HTC in the time of cooling has been modeled.K) 12000 20000 8000 10000 4000 COMPUTER METHODS IN MATERIALS SCIENCE 0 0 0 200 400 600 Temperatrure. W/(m2. W/(m2. The discussed above boundary condition model gives only average HTC over the cooled sample surface. – 272 – . Exact description of the sample geometry (with flange) in the finite element model has resulted in lower of about 10% values of HTC (figure 8). Inconel sample. Brass sample.K) 30000 HTC.K) 12000 20000 8000 10000 4000 0 0 0 4 8 Time. W/(m2. 4. W/(m2. Brass sample. Further. Inconel sample. 5. Fig. The comparison of the average HTC variations in the time of cooling obtained for the simplified and exact definition of the sample geometry in the finite element model.oC 800 100 200 300 400 Temperatrure.INFORMATYKA W TECHNOLOGII MATERIAŁÓW cooling process have been greater for about 25 percent than the ones calculated by using the model with the flange (the exact geometry model) (figure 4 and 5). Moreover. 3. 20000 perfect cylinder cylinder with flange 16000 HTC. 40000 and brass.oC 500 600 Fig. 2. s 12 16 0 5 10 15 Time. Such a possibility gives the second boundary condition model. The comparison of the average HTC variations in the time of cooling obtained for the simplified and exact definition of the sample geometry in the finite element model. The average HTC variations as a functions of sample surface temperature obtained for the simplified and exact definition of the sample geometry in the finite element model. in the case of brass sample the exact definition of the sample geometry (with flange) has lead to the lower difference between measured and calculated temperatures at the thermocouple locations (table 1). The analysis has also been performed for two materials: inconel The inverse solution to HTC distribution along the cooled sample radius performed for the inconel with simplified definition of the sample geometry in finite element model has not indicated a visible differences in HTC along the radius of the cooled sample surface (figure 6 and 7). The average HTC variations as a functions of sample surface temperature obtained for the simplified and exact definition of the sample geometry in the finite element model. The results of the inverse calculation of HTC distributions as functions of the sample radius and the time of cooling have been presented in figures to 9 for inconel sample and in figures 10 to 11 for the brass sample. 40000 perfect cylinder cylinder with flange Fig.K) perfect cylinder cylinder with flange 30000 HTC. simplified and exact description of sample geometry in the finite element model has been considered. In practice it is expected HTC distribution over the cooled surface.

In the case of cooling brass sample the diversification of HTC along the cooled surface radius has been observed both for simplified and exact description of the sample geometry in the finite element model (figures 10 and 11).INFORMATYKA W TECHNOLOGII MATERIAŁÓW 40000 40000 r = 1mm r = 5 mm r = 7 mm r = 10 mm 30000 30000 HTC. HTC model B. Inconel sample. 7. 6. In these case the difference between the maximum values of HTC is equal to about 17 kW/(m2·K) (fig- HTC. oC 400 600 800 Fig. Inconel sample. Inconel sample. HTC model B. HTC variation versus surface temperature for selected locations along the cooled surface radius calculated for exact definition of the sample geometry in the finite element model. HTC variation versus time of cooling for selected locations along the cooled surface radius calculated for exact definition of the sample geometry in the finite element model.K) r = 1mm r = 5 mm r = 7 mm r = 10 mm 20000 10000 10000 0 0 4 0 Time. In such a case sample surface is cooled uniformly. W/(m2. Inconel sample. HTC model B. s 8 12 16 Fig. HTC model B. Same difference of HTC distribution versus sample surface temperature for the HTC model B has been observed only at the sample and flange connection (r = 10 mm in figure 9). HTC variation versus time of cooling for selected locations along the cooled surface radius calculated for simplified definition of the sample geometry in the finite element model. W/(m2. 40000 30000 20000 10000 r = 1mm r = 5 mm r = 7 mm r = 10 mm 0 0 4 Time. W/(m2. oC 400 600 800 Fig. s 8 12 16 0 200 Temperature.K) 20000 HTC. The greatest difference between the maximum HTC value in the cylinder axis and at the distance of 10 mm from the symmetry axis is equal to about 9 kW/(m2·K) (figure 10). In the case of simplified definition of the sample geometry to the perfect cylinder in the finite element model the HTC values along the radius of the sample decrease. Implementation of the exact definition of the sample geometry and the HTC variation over the sample surface in the finite element model has allowed to illustrate both the influence of thermal conductivity of sample material as well as the influence of the cylinder flange on the heat transfer between cooled sample and water spray. 8. 30000 20000 10000 0 0 200 Temperature. Implementation of the HTC model which allows for the distribution of heat transfer coefficient resulted in very similar solutions to the average HTC model. It can be explained by the high water flux applied in the cooling of inconel sample. HTC variation versus surface temperature for selected locations along the cooled surface radius calculated for simplified definition of the sample geometry in the finite element model.K) – 273 – COMPUTER METHODS IN MATERIALS SCIENCE HTC. W/(m2.K) . 9. 40000 r = 1mm r = 5 mm r = 7 mm r = 10 mm Fig. Implementation of the exact definition of the sample geometry results in much higher diversification of HTC values. It can be explained by the better description of the sample temperature near the flange by the exact geometry model.

s 15 20 25 Fig. Malinowski. Pennsylvania.1244-1258. Mascarenhas. 30000 r = 1 mm r = 2 mm r = 3 mm r = 4 mm r = 5 mm r = 6 mm r = 7 mm r = 8 mm r = 9 mm r = 10 mm HTC. W/(m2. Hadała. Implementation of the axially symmetrical and three dimensional finite element models to the determination of the heat transfer coefficient distribution on the hot plate surface cooled by the water spray nozzle. 1985. Litzke... 10. J. W/(m2. REFERENCES 10000 5000 0 0 5 10 Time. Archives of Metallurgy and Materials. T. Correcting lateral heat conduction effect in image-based heat flux measurements as an inverse problem. 5. 2009. Brass sample. R. Proceedings of a Symposium on Accelerated Cooling of Steel. Institute of Thermal Technology.. Sullivan. 1055-1060. Białecki. In both considered cases of cooling the metal samples exact definition of the sample geometry (with the flange) in the finite element model have resulted in lower average differences between measured and calculated temperatures (table 1). Hadała. Grant No NR15 0020 10. Heat and Mass Trans. Z. N. 504-506.INFORMATYKA W TECHNOLOGII MATERIAŁÓW ure 11). Silesian University of Technology.. Sothwick. The work has been financed by the Ministry of Science and Higher Education of Poland.. Malinowski. 5871-5883. A.K) 15000 of material which is characterized by low heat conductivity (inconel) and about 25 percent growth in HTC value in the case of high conductivity materials (brass). CONCLUSIONS The conducted analysis has allowed to determine the influence of the exact definition of the cooled sample geometry in the finite element model on the solution to the heat transfer process. Cebo-Rudnicka.... Z.K) 20000 10000 COMPUTER METHODS IN MATERIALS SCIENCE 0 0 200 Temperature.. A.. 35-54. Heat and Mass Trans. Wang.. eds. – 274 – .. J.. Gliwice – Wrocław. Int. 2012. and Raquest.. The Metallurgical Society of AIME. 54.D. Investigation into the Efficiency of Cooling System for Wide-Strip Hot Rolling Mills and Computer-Aides Control of Strip Cooling. Telejko T. 2012. oC 400 600 Fig. 53.. Proceedings of Numerical Heat Transfer 2012 International Conference. Tacke.J. HTC model B.. HTC model B.P. Liu.. 2012.. Brass sample. 58-67. Nowak. Telejko.. J.. It has been shown that simplification of the sample geometry to the perfect cylinder in the finite element model results in about 10 percent growth in the heat transfer coefficient determined by the inverse method in case Cebo-Rudnicka. 25000 r = 1 mm r = 2 mm r = 3 mm r = 4 mm r = 5 mm r = 6 mm r = 7 mm r = 8 mm r = 9 mm r = 10 mm 20000 HTC. Pittsburgh.. Analytical and computational methodology for modeling spray quenching of solid alloy cylinders. Study of heat balance in the rolling process of bars. 2010. B.A. B. A. I.. E. Rubal. P. Z. 685-694.. Implementation of the finite element model with linear and Hermitian shape function to determination of the heat transfer coefficient distribution on the hot plate cooled by water spray. B.. Hadała. Mudawar. Identification of HTC performed for two boundary condition models has shown that allowing for the HTC distribution over the cooled surface results in more accurate determination of the heat transfer boundary condition. Malinowski. G. Acknowledgements. H. KEM. J. Gołdasz. eds. B. A. 11. HTC variation versus surface temperature for selected locations along the cooled surface radius calculated for exact definition of the sample geometry in the finite element model. The developed definition of the boundary condition is capable of identification both constant and variable heat transfer coefficient over the cooled surface of the cylindrical sample. T. HTC variation versus time of cooling for selected locations along the cooled surface radius calculated for simplified definition of the sample geometry in the finite element model. 54.. Int.

Ze względu na specyficzną budowę czujnika wykorzystanego w badaniach. Pierwszy model upraszczał geometrię próbki do postaci „zwykłego” walca. Received: September 17. W pracy testowano również dwa modele aproksymacji warunku brzegowego. drugi model opisywał rzeczywisty kształt próbki. w algorytmie metody odwrotnej przetestowano dwa modele elementów skończonych opisujące geometrię próbki. Badania eksperymentalne przeprowadzono dla próbki osiowosymetrycznej. Do wyznaczenia warunku brzegowego na powierzchni metalu chłodzonego natryskiem wodnym wykorzystano rozwiązanie brzegowego odwrotnego zagadnienia przewodzenia ciepła.INFORMATYKA W TECHNOLOGII MATERIAŁÓW WPŁYW GEOMETRII PRÓBKI OSIOWOSYMETRYCZNEJ NA WYZNACZANIE ROZKŁADU WSPÓŁCZYNNIKA WYMIANY CIEPŁA PODCZAS CHŁODZENIA NATRYSKIEM WODNYM Streszczenie W pracy przedstawiono wyniki obliczeń współczynnika wymiany ciepła wyznaczonego na podstawie badań eksperymentalnych. 2012 Received in a revised form: October 24. 2012 Accepted: October 29. 2012 – 275 – COMPUTER METHODS IN MATERIALS SCIENCE .

e. to determine the preferable boundary conditions. strength/ductility and inner geometry. 115280 Moscow. heat transport 1 1. At the end the data verification of the obtained simulation results with the measurements on the laboratory stand and theoretical calculations were carried out. To one of them belongs the investigation of the temperature fields during the formation process. Once the products were sorted the structure as- 276 – 282 ISSN 1641-8581 . CFD. thermography. used as acoustic and thermal insulation and also as protection against vibrations. The metallurgical method exhibit all known methods in intelligence.COMPUTER METHODS IN MATERIALS SCIENCE Informatyka w Technologii Materia ł ów Publishing House AKAPIT Vol. 13. For these purposes the CFD.2. They can be used as a unit cell for big parts and alone filled with an inert gas. Fluent. FEM. spherical shells.g. 30. The property of the product changes through the microstructure development results from the thermal energy consumption during the primary crystallization and further heat treatment under different regimes. No. because it based on the own physical properties of the used materials and boundary conditions of the process. These small hollow spheres made from different materials could change the weight of a construction part essentially. Pure tin shells were produced intransient (thixotropic) state of materials by elevated temperatures (close to the melting point of the pure tin) and several simulation steps were used. JUERGEN BAST1.(Computational Fluid Dynamic) and FEM-commercial codes such as FLUENT and Solid Works Simulation Package respectively were taken. which was obtained from a thermogram captured with the help of an infrared camera (IRC). Heating and Hydraulic Engineering and Energy machines“. not involving any organically core and preparation of the powder and slurries. illustrated in figure 1. Solid Works. INTRODUCTION Generally any production route consists of one or several production. tin melt. Design and Manufacturing. Department „Car Body Making and Metal Forming“. 2013. fusion targets. For hollow spheres production the metallurgical technique. ANATOLY SHEYPAK3 Technical University Mining Academy of Freiberg. PAVEL PETROV2. Russia 3 Moscow State Industrial University (MSIU). Russia *Corresponding author: petroffma@gmail. 2 INVESTIGATION OF THE HEAT TRANSPORT DURING THE HOLLOW SPHERES PRODUCTION FROM THE TIN MELT MICHAEL PETROV1. 107023 Moscow. Leipzigerstr. Otherwise the semi-solid shell will be broken by the gas pressure or the inner hollow space does not occur. was used because of its high effectiveness and low production costs. Key words: hollow spheres. Institute of Machine Elements. Semenovskaya street 38. The heat transport from the tin melt into the semi-solid tin shell influence the nucleation process so the solid wall should be formed before the gas starts to form the inner hollow space. The main controlling operations can be also implemented to obtain the spheres outer geometry. Current investigation was completed by the determination of the whole temperature fields on the side surface of the form nozzle. treatment and controlling operations which are connected together through automation devices. B. Germany 2 Moscow State University of Mechanical Engineering (MAMI). realized through the metallurgical procedure. Department „Electrical. 09596 Freiberg.com Abstract The present paper reveals one of the energy efficient ways of the units (hollow spheres) production for cellular structures for their further application in light weight constructions. Avtozavodskaya street 16.

protecting gas against oxidization procedure). It allows adjusting the temperature in a narrow range and performing the nozzle tempering with a high precision. heating unit). EXPERIMENTAL EQUIPMENT Designed and manufactured labor stand for metal hollow spheres and shells production from the tin melt was investigated. Temperature distribution in the system During the simulation setup of the temperature distribution in the whole system (furnace – heating plates – nozzle) three main heat transport mechanisms (thermal conductivity.bution in the crucible. 2012). figure 3. 2. Also many fundamental aspects on the heat transport given by e. degassing. sharply corners were rounded and the fiber thermal insulation was proposed as a material with homogeneous properties).2. To obtain adequate results different size of the mesh elements were applied: the biggest of 0. 3.INFORMATYKA W TECHNOLOGII MATERIAŁÓW sembling occurs depending on the application cases. 2. General process route of hollow spheres/shells production.2 mm for the heating furnace with the common side ratio of volume tetraeder elements of 1. Prepared model for simulation (a). Model preparation Fig.1.5. but the temperature difference stays the same. It was assumed that the heating bridge elevates the temperature in the spherical shell. 3. dosing and controlling of the solidification process occur in a special heating unit. The simulated hollow sphere has a transient heating bridge. Petrov. The melting. To perform the numerical simulation the CAD-models of heating devices inclusive crucible were optimized before meshing (fasteners connections were closed. convection and radiation) were activated. Baehr & Stephan (2006) should to be coupled to the manufacturing route and equipment. It is expected that an additional heat amount will transferred into the spherical shell.5 mm (d). The current paper is focused on the first two steps in this line (metal melting and hollow sphere/shell solidification). tempered by heating rods. NUMERICAL SIMULATION Although the similar production technique was discussed by Kendall (1981). To enable the simulation the following boundary conditions were assigned and are presented in the table 1. The simulation results delivered a homogeneous temperature distriFig.9 mm for the nozzle and 22. The lifetime of the bridge corresponds to the formation time of a single shell.g. 3) process initiation: forming gas is fed to the tin melt through the gas needle and forms the spherical shells at the nozzle. 3. Dorogotowcev & Merkulyev (1989) several differences and resulted setups of the heat transport problems were not still numerical investigated. The whole metal melting process runs in three stages: 1) preparing the metallic melt (optionally: alloying. 2010. model of the crucible (b) with the tin melt vol. which was made in a „sandwich” like assembly from copper and aluminum plates. 2) switch on the heating devices (furnace. Further description of the equipment could be found elsewhere (Petrov & Bast. which connected the sphere with the main tin melt volume in the nozzle area as it is shown in figure 2d. 1. – 277 – COMPUTER METHODS IN MATERIALS SCIENCE . shown in ume(c) and hollow sphere of 3 mm in diameter and the wall thickness of 0.

i. The results from the transient heat transport fluids and inside the heating system was investigated simulation were compared with the temperature on and represents the mesolevel of the system.5. Theoretical calculation was based on the total capacity of the heating rods. Giving the heat energy from the heating a „sandwich” like assembly and consists of an upper rods to the colder parts the main amount of it riches and lower blocks. ϑ – temperature difference. the biggest element of 10. Temperature fields in the longitudinal cross section of the nozzle (a) and heating equipment (b). To perform the simulation Fig. mCu and mAl – mass of the copper and aluminium plates. At the same time the capacity of the of the fact. The goal the heating rod. the in situ measurements were carried out to justify the temperature distribution in the plates was calculated proper choice of the boundary conditions. Element Furnace Heating plates Inductor Heat source initial temperature on the refractory lining initial temperature on each heating rod or capacity per rod initial temperature on the refractory lining nects the volume and thermal material properties of the plates (Petrov. 2012). namely convecresults and validated with the help of IRC. at the nozzle. measured value from the table 2) up to 8. placed in the upper copper plate. Several space with a variable environmental temperature. So the theoretically. 4. From this analysis it was stated. The equation (1) con– 278 – . produced from pure copper and the nozzle. that this heating unit will be placed in the heating rods determine also the heating time. Boundary conditions in the simulated system.3. Fig. It was stated.e. In the aluminum upper and transported heat energy is constant through a period lower blocks the gravure of the nozzle was milled. according tion reduce the calculation error (compared to the the route in figure 4. the mesh parameters were defined as follows: volume 3. plates (mesolevel) side ratio of 1. Temperature distribution in the heating tetraeder elements. 3. was to determine the expected temperature fields on obtained with the help of thermocouple Ni-CrNi the microlevel. of time and enough to guarantee the forming process After that the plates were mounted together. Construction stages of the heating plates. Because discontinuity. that the amount of the cast aluminum alloy.4%. that the thermal resistance (temperature drop or heat loss) due to plates stacks and heat loss due to convection and a little amount of the radiation does not exceed 5%. P mCu  cCu   m Al  c Al    . The heating unit is (type K). t t (1) where cCu and cAl – specific heat capacity of copper COMPUTER METHODS IN MATERIALS SCIENCE and cast aluminum alloy.2 mm. after that compared with the simulation additional heat transfer mechanism. As a merit of the numerical simulation accuracy the duration of the heating stage was The simulation of the heat transfer between the taken.INFORMATYKA W TECHNOLOGII MATERIAŁÓW Table 1.

cp(v) – isobare (isochore) specific heat capacity and po – critical pi pressure ratio (po – pressure value after gas expansion and pi – pressure value in the pipeline). HR + HC + T TR.th where    po   Ti  p    i  1  . showed in figure 5b and 5c. To . The principle of the test is the periodic gas injection (frequency of 1 Hz) into the tin melt and measurement of the height of the invader cone zone. – 279 – COMPUTER METHODS IN MATERIALS SCIENCE An obtained temperature distribution for mesolevel could be applied also for a microlevel. obtained for different simulation cases Heating stage. and together with the energy equation: . Because of a new fluid phase (forming gas) the new problem had to be defined. T– temperature (index „i“ for inside. Because of the fact that the forming gas expands into the certain melt volume the expected temperature in the cross section could be calculated from the equation (2) as: Fig. The aim of the test is to find out the cone height from the simulation results which corresponds to the real cone height from the verification test under the same boundary conditions and for the same time point. C – convection. 5. obtained with high speed camera. 100 fps. HR – heat radiation. This undesirable effect leads to the process discontinuity due to metal solidification between two periods of hollow spheres formation. T – constant temperature. To carry out the case study a special CFD-simulation and simple verification test were developed. Loycyanskiy (2003). the gas distribution in the tin melt was still unknown. Sheypak (2006) and other fundamentalists. Heating time. Through the simulation it could be shown. (2) cp cV – isentropen exponent. min : sec Experiment Simulation 14:30 16:55 15:30 Boundary conditions TR. defined as   1    with ξ′ as a drag coefficient. b – gas distribution in the tin melt. that even the test chamber temperature of 232°C (melting point of the pure tin) by investigated gas flow rates of an average value of 750 liter per hour does not allow to eliminate the undercooling effect on the displacement of 1. The theoretical problem description can be found by Bohl (1991). HR + HC + T+C where TR – transient heating process.c – simulation of the gas distribution in the tin melt. obtained in Solid Works. HC – heat capacity. 3.INFORMATYKA W TECHNOLOGII MATERIAŁÓW Table 2. The temperature can be influenced by the forming gas expansion due to the differences of the cross sections of the pipeline and the feeding needle. during the simulation and theoretical investigations followed to a temperature of 16 – 25°C and 13 – 24°C respectively. that the gas velocity exceeds the value of the velocity coefficient.5 mm from the needle top of the nozzle presented in figure 5a. Measurements with IRC has shown. that the temperature difference between the heating plates and the melt at the nozzle orifice stays by 16°C. °C from 0 up to 257 Time. where the greater value corresponds the greater heat loss in the system. Phase and temperature distribution during the forming gas injection (a – numerical simulation of the temperature distribution after the gas expansion in the hot chamber. under the assumption. obtained in FLUENT). „o“ for outside and „th“ for theoretical) The true temperature due to gas expansion was calculated from the equation (3).4. Temperature distribution at the nozzle (microlevel) Moreover once the temperature influence was cleared. The rash temperature drops of millisecond duration results strong tin melt undercooling.

After the simulation the obtained temperatures from the middle radius of the shell were compared with the calculated from the equation (4).5. 6. shown in figure 6a. 3. (3) So for an environmental temperature (ET) of 17°C the temperature differences stay by 7°C for experiment and 6°C for numerical simulation.th  .5 mm is out of the gas distribution zone and not intended into the investigation.INFORMATYKA W TECHNOLOGII MATERIAŁÓW To  Ti   2 Ti  To . „o“ for outer sphere surface and „th“ for theoretical). The area above the distance of 6. Temperature fields: temperature – distance diagram for determining undercooling effect (a).5 mm and over this value. Following the equation (4) the thicker walls propose the smaller temperature derivation from the linearity in The hollow spheres in figure 7 were previously meshed with volume tetraeders’ elements with the biggest size of 1 mm and side ratio of 1. r 1 i r . Temperature distribution in the sphere’s wall (microlevel) The temperature distribution in the spherical shell occurs also in micro level of the investigated system and can be calculated on hand the simple equation (4) with sphere radius as argument. r – arbitrary radius of the sphere. For an initial ET of 232°C the same distance will give the temperature decrease up to 45°C. Taking the height of the involved cone from the figure 5b of 6.5. Self the line for the thin wall has a greater slope as the line for the thick wall that means that the temperature gradient for thin walls under the same boundary conditions should be greater to transport the heat amount from the melt to activate the solidification process. temperature distribution in the shell’s wall with different radius and thickness (b and c) and slope of the linear temperature distribution curves (d). – 280 – . COMPUTER METHODS IN MATERIALS SCIENCE Fig. The expected temperature drop up to 6 – 7°C by initial ET of 17°C gives the distance of 5. (4) Tth  T (r )  Ti  Ti  To  ri 1 ro where T – temperature (index „i“ for inner sphere surface. two areas can be pointed out: up to the distance of 6.5 mm on the diagram temperature-distance.5 mm from the nozzle. figure 6c as thinner walls in figure 6b.

2°C. Fig. The necessary solidification rate (SR) of a solidification process can be calculated from the equation (5): where T – temperature. 4. meso. theoretical and experimental way. Temperature fields on the outer surface of the spherical shell in 1000 seconds (a). tC – time of the crystal growth. there temperature could be better described by a linear function.INFORMATYKA W TECHNOLOGII MATERIAŁÓW Fig. ISO-surfaces also show. represented by simulation of the temperature distribution in heating system.6.2°C.  (6) – 281 – COMPUTER METHODS IN MATERIALS SCIENCE . CONCLUSIONS AND OUTLOOKS In the present paper the heat transport during the hollow spheres production from the tin melt was investigated in the numerical. From the balance of heat fluxes described by Gottstein (2004) the heat of solidification can be obtained on the base of the equation (6): C   dx  dT   dT    L    hS   dt  dx  C  dx  L  с   . differ from the temperatures on the other surfaces not more than on 1°C. For thinner walls the temperature distribution shows greater deviation from a linear characteristic as for thicker walls. Simulation of the temperature fields in the spherical shell at the time point of 20 seconds (a). hS – heat of solidification. 3. that non-uniform wall thickness of the shell SR   . 2000 seconds (c). t cal (5) where tcal – calculation time. From the equation (4) follows. Solidification process From the simulation results presented in figure 8 it is clearly seen. that the solidification front moves from the top of the spherical shell to the nozzle orifice and the temperature difference does not exceed 0. ISO-surfaces in 900 seconds of calculation time for a temperature distribution from 313°C and higher (b) and from 314°C and higher (c).and macrolevel numerical problems of the investigated system. presented in figures 8b and 8c. 200 seconds (b). λC and λL – thermal conductivity of the crystal and melt respectively. heating plates and nozzle. The results go back on the micro-. x – distance (wall thickness). 8. ϑ – temperature difference on the outer and inner surfaces of the hollow sphere. because the temperature changes here during the whole processing time does not exceed 0. The temperature fields in the sphere’s wall due to small dimension of the sphere changes very quickly and need to be investigated separately with finer finite elements. that at the same time point the temperature in the spherical shell distributes very fast. From the figures 6b and 6c the importance of the wall thickness in the heat transport problem is obtained. 7. Hollow spheres/shells could be produced directly from the tin melt if the boundary conditions were properly defined.

H.und Stoffübertragung. New York (in German).. Berlin.INFORMATYKA W TECHNOLOGII MATERIAŁÓW will cause different temperatures. Moscow (in Russian). 1989. W przeciwnym wypadku pół-stała powłoka pęknie pod wpływem ciśnienia gazu lub w ogóle nie powstanie.und Schalenherstellung direkt aus der metallischen Schmelze zu ihrer Anwendung in Leichtbaukomponenten.M. Proceedings of the second international colloquium on drops and bubbles. Both the information about the temperature distribution in the metallic melt and the gas distribution were used by the design and construction of the nozzle: nozzle placing.. Hydraulic and hydraulic drive systems. Springer Verlag. BHT (Berg. Ponadto badania uzupełniono o wyznaczenie pola temperatury na powierzchni dyszy formującej dzięki termogramowi zarejestrowanemu kamerą na podczerwień (IRC). Vogel Buchverlag. Loycyanskiy. Heidelberg. 2006.G. J. Moscow (in Russian) Petrov. 2012 Received in a revised form: November 4. D. Scientific reports on resource issues. Entwicklung einer Anlage zur Hohlkugelherstellung. This paper was prepared in scope of the state contract № 16. Stephan. Powłoki z czystej cyny produkowane są w temperaturze bliskiej temperatury topnienia materiału (w stanie tiksotropowym). W. Opisany proces metalurgiczny produkcji kul wykorzystuje fizyczne własności zastosowanych materiałów oraz warunki brzegowe procesu bez wprowadzania proszków czy zawiesin. 2006. Sheypak. Also a problem of undercooling effect due to expansion of not preheated forming gas at the nozzle was formulated and investigated.. 2004. Badano między innymi rozkład temperatury podczas procesu produkcji.. D. W ramach pracy wykonano szereg symulacji komputerowych. C. Freiberg (in German). Gottstein. The results can be used by the further microstructure prediction by function with two arguments. Freiberg. New York.. Physical Lebedev Institute Publishing. namely the outer shell diameter and wall thickness. L. W. M. J. LeCroisette.. 2012 Accepted: November 21. orifice diameter.11. NASA JPL. Received: September 20. The prediction of the undercooling can be made on the hand of temperature-distance diagram in figure 6a and calculated from the equation (5) and (6). Wärme. 5th edition. Acknowledgement. K. Bohl. Hydrodynamic performance of an annular liquid jet: production of spherical shells. Consequently the cooling rate will differ and the microstructure development in the wall will vary. ZAGADNIENIE TRANSPORTU CIEPŁA PODCZAS PRODUKCJI PUSTYCH KUL Z CYNY Streszczenie Praca przedstawia jedną z energooszczędnych metod produkcji zespołów struktur komórkowych (pustych kul) stosowanych w lekkich konstrukcjach. 5th edition. 7987. 2003. 343-350 (in German). H. Technische Strömungslehre. eds. Also the optical surface quality of the produced microsphere varies between rough for small cooling rates and smooth shiny for greater cooling rates. 2012 COMPUTER METHODS IN MATERIALS SCIENCE – 282 – . 2012. Berlin. W pracy do symulacji wykorzystano komercyjne programy FLUENT oraz pakiet SolidWorks. Pasadena... Petrov. 9th edition.0744. dlatego ścianki będące w stanie stałym powinny być formowane zanim gaz rozpocznie kształtowanie wnętrza powłoki. 2010. Heidelberg. J. 1981. które umożliwiły określenie właściwych warunków brzegowych procesu produkcji. eds. REFERENCES Baehr. Würzburg (in German).A. TU Bergakademie Freiberg. Volume 3. temperature fields around the nozzle etc. MSIU Publishing. These essential parts of the work make possible to increase the production capacity of the laboratory equipment. Bast. A.740. Springer Verlag. 7th edition. Kendall. Untersuchungen zur Hohlkugel. The methods of the hollow microspheres production.. Proceedings of the 61. Moscow (in Russian). 1991. M.. Puste kulki o małych średnicach wykonane z różnych materiałów mogą znacząco zmniejszyć wagę elementów konstrukcyjnych wykorzystywanych jako izolatory akustyczne i termiczne. Mechanic of fluids and gases.. Można je stosować jako komórki jednostkowe dla większych elementów lub jako elementy samodzielne wypełnione gazem obojętnym.. Drebenstedt.und Hüttenmännische Tagung).. a także jako ochrona przed wibracjami. Wyniki symulacji zostały porównane z wynikami doświadczeń oraz obliczeń teoretycznych. funded by Ministry of Education and Science of the Russian Federation. Transport ciepła w procesie formowania powłok z cyny od stanu płynnego do stanu pół-stałego ma wpływ na proces zarodkowania. Dorogotowcev. G. Physical foundations of materials science. Merkulyev. PhD thesis.. The minimal diameter could be obtained from the Young-Laplace equation for hollow microspheres up to 1 mm in diameter and for bigger microspheres up to 3 – 4 mm in diameter the technique given by Petrov (2012) can be applied.

compared with the solutions existing so far.COMPUTER METHODS IN MATERIALS SCIENCE Informatyka w Technologii Materia ł ów Publishing House AKAPIT Vol. Especially. 2001. the presented solution in the field of reconstruction of three-dimensional (3D) objects significantly expands the capabilities of the analysis. 2013.pw. sheet metal forming.swillo@wip. However. The 3D shape and strain analysis presented in this paper offers a valuable tool in the metal products quality control.pl Abstract The paper presents a method for the surface shape and strain measurement applied in the determination of metal flow and product quality. hydraulic bulge test 1. First. Warsaw/Poland *Corresponding author: s. Next. along with a complete testing equipment for maximum strain calculation just before cracking. Second. a new method for the 3-dimensional geometry and strain measurement based on laser scanning technique is presented. the sheet metal forming is a very complex manufacturing process. However. No. three methods are widely used by different authors. The hydraulic bulge test was identified as a method most applicable in these investigations. Accurate determination of these characteristics in the sheet metal forming operation is extremely important. and checking if they do not exceed certain limit resulting in the loss of stability. The third method is laser scanning. The first of them is the projection method described in detail by Swillo and Jaroszewicz (2001). 13. Sirkis. especially in automotive applications. In this study the author discusses the investigations that are focused on better understanding of the strain values and their distribution in a product. all the contemporary methods – 3D reconstruction of objects or measurements of deformations . 2 AN EXPERIMENTAL STUDY OF MATERIAL FLOW AND SURFACE QUALITY USING IMAGE PROCESSING IN THE HYDRAULIC BULGE TEST SŁAWOMIR ŚWIŁŁO Faculty of Production Engineering. These techniques seem to be very useful in the field of metal forming because they are very effective when strain values have to be determined by the analysis of surface patterns.edu. 1990). thus providing fast and accurate results for material testing and process analysis. yet cost-effective solutions. Warsaw University of Technology. and their classification depends on the technique by which the displacements are measured. INTRODUCTION Methods for the measurement of surface shape or deformation (displacement) generate solutions that are currently and generally applied in various scientific fields.are based on a system of image recording by means of a CCD camera. and its success depends on many factors. Koga & Murakawa. In this group numerous solutions are available. The computer measurement system is directly connected to the hydraulic bulge test apparatus. Key words: strain analysis. where both theoretical and experimental analysis was conducted. The second method is based on the analysis of surface patterns (Swillo. 1996. The method commonly used in studies of the kinematics of the sheet metal forming process is 283 – 288 ISSN 1641-8581 . This involves a number of tests that should be carried out to find optimal. the image acquisition process and digital image correlation (DIC) are presented to recognize and analyze the objects taken from camera.

we can find. Image analysis of the deformed sample area is done by a commercial ARAMIS system made by GOM (Hijazi et al. Fig. All these solutions are based on the identification of grids applied to the surface of sheet metal. b) using hydro-bulging. A specially designed exper- – 284 – .. 1. This solution is based on the use of a metal punch operating on samples with different geometry (figure 1a). provide comprehensive information about the state of the material (for example: Swillo et al. Currently. combined with calculations of the deformation occurring in the examined products. where appropriate optical system with two cameras can record the run of the forming process. depending on the nature of the measurement. or at least controlled. These methods are based on either correlation or analysis of the geometry of regular coordination grids. 2000). due to which the processed element assumes the shape of a spherical cap. many authors have been evaluating the sheet metal quality based on the forming limit curves (FLC). most of the final product defects and limitations can be eliminated. a method of bulging with fluid under pressure the sheet metal disc clamped at the edges has been applied (figure 1b). 2. are much more efficient as regards the accuracy of the obtained results than the regular grids. Owing to this characteristic of the deformation limit of any sheet material. Studies on the design of systems for automatic strain analysis are carried out by Vialux Company (Feldmann & Schatz.. The process is performed on a specially designed testing machine. Therefore the goal is to develop a major parameter that can be used in an assessment of the quality of automotive parts after sheet metal forming. to test the plastic forming process. One of such solutions is a system that enables automatic measurement of lines perpendicular to each other and lying at a distance of 1-5 mm from each other. in the authors opinion. 2006. In the last several years. used for many years. The. the collected information allows us to determine if the strain values in areas of the largest product deformation are approaching the limit values. studies are carried out to detect the crack onset. method of grids coupled with the image processing has gained numerous solutions. which. EXPERIMENTAL APPARATUS Solutions presented in this paper are referring to the three dimensional cases. Another option is a system for the analysis of deformation based on the bulging test using a steel punch (Liewald & Schleich. The Company has developed a system called AutoGrid used for the analysis of deformation during bulge test. enabling analysis of the local state of strain in industrial sheet metal forming. 2004). by careful designing of process operations. Schematics (section view) of the sheet metal forming: a) using metal punch. during laboratory tests. The possibility of plotting the forming limit curves also enables predicting what are the chances for further plastic forming of the sheet metal. a uniform biaxial stretching occurs. These techniques seem to be very useful for the metal forming analysis because they are very effective when strain values have to be determined by the analysis of stochastic surface pattern.INFORMATYKA W TECHNOLOGII MATERIAŁÓW stretching of the sheet metal surface with a metal punch (figure 1a). originally proposed by Marciniak (1961). The proposed method of the strain measurement in a bulging process is based on the numerical image processing and three-dimensional object reconstruction. and Marciniak & Kuczyński (1967). various technical improvements in the method of sheet metal pattern recognition took place. In this operation. all available information to predict the quality of the final products is not sufficient. methods that serve the determination of forming limit curves which. among others. 2007). It is believed that. On the example of bulging test. The stand with this device is capable of performing a fully automated control of the bulging process using a metal punch The solution uses a digital image correlation technique based on stochastic grids. minimized. 2010). Feldmann. a new possibility in the field of image processing techniques is demonstrated. The grids can COMPUTER METHODS IN MATERIALS SCIENCE have a regular or stochastic shape. In the present study. According to the current experimental investigation. As complementary to the created solutions of automated strain measurement. At the same time.

or curling of the sheet metal. continuous (pixel-based). while second group includes measurements of the process kinematics and of the shape of the bulged samples. disturbing or disrupting even its further course. method of outline reconstruction using laser light bases on a temporary outline searched for the examined element subjected to deformation. it was necessary to use measurements based on vision control. during which the material undergoes plastic deformation by drawing.INFORMATYKA W TECHNOLOGII MATERIAŁÓW imental apparatus for bulging process analysis was assembled (figure 2a). because some limiting phenomena will occur at a certain stage of the process. Schematics of the experimental apparatus for hydro-bulging process: a) the testing stand. high accuracy (sub-pixel) verification of the geometry of the distorted elements. Owing to some simplifications cannot reach any arbitrarily large values. among others. tests of the plastic forming were performed using a method of bulging the sheet metal discs (fixed at the edges) with fluid under pressure. The use of the stand allows running two types of the measurements: basic and complex.. The. extrusion or redrawing. The central measurement system in the test stand is an optical system. cracking. whose task is to allow a 3D reconstruction of the sheet metal formed (figure 2b). The developed solution comprises a computerized. a front view of the object (with stochastic grid) is recorded. while the assumed axisymmetrical shape of the examined object allows its 3D reconstruction. 1961). fully automatic. each lasergenerated section is identified by one camera only. 3. In this operation. proposed in the measurement model. numerous solutions are possible as regards the description of the process kinematics and study of the test conditions under which the loss of stability occurs due to the absence of friction on the tool . 2. ANALYTICAL MODELING OF THE BULGING PROCESS The aim of the investigations of the sheet metal forming process is to deepen our knowledge about the factors (phenomena) that restrict this process. To obtain rapid (in real-time). proposed for studies of the kinematics of the shaped objects. The deformation in the forming process Fig. The main problems include strain localization. 2012). b) an optical system to control the bulging process. motorized test stand equipped with optical and vision systems to acquire the data. In this process. producing specimens where the dome is spherical in shape. The state of biaxial stretching occurring in many – 285 – COMPUTER METHODS IN MATERIALS SCIENCE . a biaxial uniform stretching occurs. In addition to the measured contour. Full description of the bulging process should enable further materials research and development of process control mechanisms. an option for the automatic monitoring of the process run and the possibility of its interruption at a strictly determined stage of deformation. The proposed mathematical model to solve this problem has been based on the author's own research (Swillo et al. The first group of measurements includes recording the run of the plastic forming process in terms of pressure and displacement. In the described study. The elements of such control can include. In this example of the sheet metal forming process.die contact surface (Marciniak. which enables the reconstruction of a 3D image of the measured sample and determination of the size of deformation. the formed object is obtained by mapping its shape on a sheet of metal using a punch and a die (figure 1b).

the coordinates for the projection of nodal points in a twodimensional space were obtained. Figure 3 shows the results of calculations. b) vision inspection (crack localization). where the experimental results obtained on a stand for the test forming using oil were compared with computations made for the membrane theory. 3. Fig. 4. The high consistency of the obtained results confirms that the theoretical solutions used to determine the polar limit strain values are correct theoretical assumptions for this area of the metal forming technology. the product of the yield stress multiplied by the actual thickness of the membrane (p*g) is constant (Marciniak.INFORMATYKA W TECHNOLOGII MATERIAŁÓW forming operations makes the bulge test very useful in this analysis (mainly due to the mere nature of the state of stress). Displacement and strain calculation: a) global strain calculation using DIC. According to a mathematical formula relevant to this case. c) comparison for the local strain calculation (micro-strain results) and vision inspection. – 286 – . b) stress-strain hardening curve. In the pure biaxial case where the bulge is a perfect bowl (figure 1). the profile of the bulged sample was determined (according to previous de- COMPUTER METHODS IN MATERIALS SCIENCE Fig. The run of this process is usually considered in terms of the strain occurring in a perfectly flexible thin membrane. STRAIN MEASUREMENTS ON STOCHASTIC GRIDS As a result of the performed calculations. Since we have the biaxial uniform stretching. Using information from the second camera. A comparison of experimental and analytical results of the bulging test: a) strain distribution. the extreme values of the internal pressure p is given by: (2) where: R is the actual dome radius and g is the thickness at the top of the dome. the relationship (2) can be solved by differentiation and simplified to the final form of: This relationship allows us to determine in a graphical manner the strain value  at which the pressure p will reach its maximum for the known hardening curve. 4. 1961). The deformation  occurring in the center of the dome follows the relationship given below: 2 1 (1) (3) where: h is the actual dome high and a is the blank radius.

The first value of the deformation is calculated as a result of the identification of the position (image). Scientific work financed as a research project from funds for science in the years 2009-2011 (Project no. the test method used for plastic forming has been bulging with a fluid under pressure of the sheet metal discs. metal forming allows obtaining a number of solutions as regards the description of the process kinematics and study of the test conditions under which the loss of stability occurs due to the absence of friction on the tool . The method commonly used in the study of the kinematics of the sheet metal forming is stretching of the sheet metal surface with a metal punch. In this operation. Effective Evaluation of FLCTests with the optical in-process strain analysis system AutoGrid. ed. Large number of images generated during measurements is an obstacle in precise determination of the deformation history. fixed on the edges. The method of image correlation used for this purpose is a highly efficient tool for an accurate measurement of these parameters. uniform stretching occurs. 69-73. The described example of the process of the sheet Fig. N N508 390637). the third coordinate was specified. As an operation complementary to the strain calculation. The second value results from the determination of strain that occurs in the crack onset zone (figure 4b). a) comparison of experimental results with the hardening curve: b) bulge-samples. a biaxial. Conf. The use of this approach in the study of the kinematics of the forming process is a solution that has required the development of a mathematical model. P. the introduction of a number of assumptions to the design of a test stand using this method..die contact surface. 5. In this study. Finally. for which the strain localization occurs (figure 4a).. M. the hardening curve for DC04 was plotted. The large scatter in the experimental measurements is due to the lack of a more refined technique for taking precise strain measurements by the method of correlation. 2006. FLC. Schatz.INFORMATYKA W TECHNOLOGII MATERIAŁÓW scription) and. extended to the identification of three-dimensional objects with the possibility of deformation measurements. resulting in the formation of objects in the shape of a spherical cap. 5. Zurich. – 287 – COMPUTER METHODS IN MATERIALS SCIENCE . micro-deformations in the zone of the crack onset during bulging process were determined. based on experimental calculations. in accordance with the proposed 3D reconstruction algorithm. Strain measurements were carried out according to the described method of calculations for the main deformation direction and directional displacement gradient measurements (figure 4a).. SUMMARY The method proposed by the author consists in the identification of an outline of the examined axisymmetrical object. comparing the results with the measurements by the method of uniaxial stretching and with information about the equation of a curve given in the literature (figure 5a). Acknowledgements. Hora P. as well as the development of methods to process images recorded during plastic forming. The method consists in adding up two values of the deformation. The accurate measurement of the forming limit is one of the major issues in plotting of the forming limit curves. Proc. REFERENCES Feldmann. which is a key factor in the calculation of plastic properties. Figure 4c shown the comparison of the calculated strain localization and vision inspection.

Tisza M.P... 791-803.P. 3.. 272-277. A... 9.. eds. L. Następnie zaprezentowano wyniki analizy obrazu z wykorzystaniem korelacji. Proc. eds. wskazując na znaczne ułatwienia w rozwiązywaniu problemów wyznaczania odkształceń i pomiaru kształtu dla przedstawionego przykładu. and Murakawa. S. 1961. Leep. Lisok. A. M. Dlatego wykorzystywanych jest wiele testów.R. Conf.. H. 545-550... Conf.. Kraków. Kuczyński.. S. Limits strains in the processes of stretch-forming sheet metal. ed. ANALIZA DOŚWIADCZALNA PŁYNIĘCIA MATERIAŁU I KONTROLA JAKOŚCI POWIERZCHNI W PROCESIE WYBRZUSZANIA Z WYKORZYSTANIEM OBRÓBKI OBRAZU Streszczenie W artykule przedstawiono metodę pomiaru geometrii i odkształceń w odniesieniu do pól przemieszczeń i końcowej jakości produktu.. M. 2000. Influence of the sign change of the load on the strain hardening curve of a copper test piece subject to torsion. Z. and Piela. 29. Schleich R. Świłło. Eng. Advanced Technology of Plasticity. N.. W pierwszej części przedstawiono rozwiązania w zakresie rekonstrukcji trójwymiarowej. Marciniak. Proc.. Gyor.. Swillo. jak również dla identyfikacji miejsc potencjalnych pęknięć. Gen.. 2012. 1990. Gen. Altan. W przedstawionym opracowaniu autor koncentruje się na lepszym zrozumieniu rozkładu odkształcenia i jego koncentracji prowadzącej do utraty stateczności. Conf. vol.. Koga. Journal of Mechanics Science. J. 2004. Proc. ed. Madhavan V..R. Parsaei. Proc. Opt. SAMPE. M. Hijazi. S... szczególnie w przemyśle samochodowym. 743-752 (in Polish). Automatic of strain measurement by using image processing. P. T.. International Deep Drawing Research Group. Liewald. Development of an Anisotropic Failure Criterion for Characterising the Influence of Curvature on Forming Limits of Aluminium Sheet Metal Alloys. Parsaei. 1967. 2010. gdzie przedstawiono dwa rozwiązania doświadczalne i analityczne. 1411-1414. and Hartley P. and Weinheim. Conf. które znacząco rozszerzają możliwości w stosunku do tradycyjnych metod optycznych analizy kształtu. & Majta J. H. Archives of Mechanics. Kraków. Vol. Las Vegas. Determination of the forming limit curve by using stereo image processing. 476-481. Szeliga D. Jakkolwiek jednak jest to proces niezwykle trudny i uzależniony od wielu czynników. Proc. Leep. M.. Czyżewski. 2012 COMPUTER METHODS IN MATERIALS SCIENCE – 288 – .. Zaproponowana został metoda hydro-wybrzuszania.. 1485-1493 Swillo.. S. Determination of forming limit curves using 3D digital image correlation and in-situ observation.. Wong J.R. Las Vegas. Yardi N. Conf. An experimental study for hydro-bulging process using advanced computer technique.. H.. II. Int. K. Majta J. & Pillinger I..1175-1178. Kusiak J.. 2012 Received in a revised form: November 21. Świłło. Dokładna charakterystyka tych wielkości w procesach kształtowania blach jest niezwykle ważna.R. Kocańda. 571-574. Application of visioplasticity to experimental analysis of shearing phenomena. Automatic shape measurement on base of static fiber-optic fringe projection method. 13. 2001. Kusiak J. Metal Forming 2012. 483–490. H. Engineering Design & Automation. Metal Forming 2000. Pietrzyk M. Proc. Sirkis. 2001. 2007.INFORMATYKA W TECHNOLOGII MATERIAŁÓW Feldmann P. Received: October 15. 2012 Accepted: December 5.. S. Marciniak Z... Wong J. Conf. 609-612. 1996. Int. Application of strain analysis system AUTOGRID for evaluation of formability tests and for strain analysis on deformed parts. Proc. w celu określenia charakterystyki materiału.R. Journal of Material Forming. Engineering Design & Automation. Dzięki sprzężeniu urządzenia testującego z układem komputerowym możliwe jest szybkie i precyzyjne przedstawienie końcowych wyników pomiarów własności materiału. A. eds. Columbus. Long Beach. System response to automated grid methods. Conf. and Jaroszewicz. eds.

which supplies information regarding defective material in terms of various defects and pseudo defects. Nevertheless. No. Direct customers and subsequent treatment processes (ex. to detect local variations in contrast on its surface and to classify individual irregularities. global competition and rising customer’s requirements are becoming increasingly important in production of high quality products. as well as reliable online classification. Subsequently. who is an expert in certain classification. the real challenges nowadays seem to be measuring techniques of those phenomena. The result was a set of measurement data. It was done by use of data mining techniques. However. ul. The reason behind that was the lack of unique features. Steel industry is no exception to that rule. In this way a map can be obtain.lechwar@arcelormittal. Person. which was considered as a defect. should create sets of defects that will be used to “teach” software provided by the manufacturer. 2013. the model and its most important variables can be used to describe and distinguish different kinds of scales. At the same time. stored in online production database. cold rolling process) requires production of higher quality steel while reducing costs. 2 SELECTION OF SIGNIFICANT VISUAL FEATURES FOR CLASSIFICATION OF SCALES USING BOOSTING TREES MODEL SZYMON LECHWAR ArcelorMittal Poland. The ASIS provided numerous features describing single image. To make it possible to build reliable classifier of surface defects. 13. 30-969 Kraków *Corresponding author: szymon. which could distinguish them from the other defects. which will be subsequently used in building reliable classifier for scale recognition. some kinds of scales could not be recognized efficiently. The objective of this paper was to supply information regarding the most important visual attributes. as well as the method of interpretation of the data obtained from this system. Key words: automatic surface inspection system. Combination of these factors often proves to be very difficult or even impossible to achieve with the use of common production methods. boosting trees.Automatic Surface Inspection System). At the moment an extensive knowledge regarding the reasons of scale occurrence is gathered. hot rolling mil 1. In an ordi- 289 – 294 ISSN 1641-8581 . data mining.COMPUTER METHODS IN MATERIALS SCIENCE Informatyka w Technologii Materia ł ów Publishing House AKAPIT Vol. ASIS needs to be taught. Each picture taken by the system is digital and converted into grey scale pixels. One way to achieve this goal is the application of automatic surface inspection of rolled sheets (ASIS . This paper describes the basics of automatic surface inspection system (ASIS) which was used as a source of entry data. Ujastek 1. each plant puts strong emphasis on the automation of its process and the maximum costs reduction. This problem will be solved in following studies by creating offline post processing rules. The purpose of the system is to take pictures of produced material. This type of system brings a significant reduction of visual inspections performed by human inspector. INTRODUCTION In today's industry. Hot Rolling Mill in Kraków.com Abstract The subject of this paper is to design and implement an efficient model for various kinds of scales recognition at the Hot Rolling Mill (HRM) in Kraków.

In total. Preliminary data analysis COMPUTER METHODS IN MATERIALS SCIENCE The first step in data mining analysis (Hand et al. user cannot build additional rules in third party software to assist classification of similar defect classes. This approach cuts user's knowledge about visual characteristics of the images. Not all scale classes will be presented in this paper.INFORMATYKA W TECHNOLOGII MATERIAŁÓW nary approach. taken by ASIS. analyse visual features of each defect class. The aim of the work was to find visual characteristics of defects that best serve to build a model (Webb.2. It was assumed that reference data does not contain any unusual values or outliers. SELECTION OF THE MOST RELEVANT VISUAL FEATURES OF THE SCALE DEFECTS USING DATA MINING METHODS Creation of a rich set of reference data provided opportunity to explain visual features of scales in detail. 2006). Images. were analysed by the manufacturer software to find local variations in contrast. Based on ArcelorMittal internal defects catalogue (Breitschuh et al. received a number of features that describes their visual characteristics in numeric manner.. 3. 2006) modules:  Decision trees C & RT (Classification and Regression Trees)  Variables selection and analysis of the causes. 2006. ASIS is trained to detect and classify all of them. From the pool of 26000 candidate’s images some of them were isolated as real scale defects. called regions of interest (ROI). Sun et al. which provided information regarding classification of the currently implemented classifier were removed. set of 3300 scale defects were gathered and hand-classified. about 30 different real defects could occur on the hot strip. 2006) focused on data preparation and cleaning.. the software creates models. 2007) and expert knowledge it was decided to select and distinguish 10 scale classes. 145 variables were selected for further analysis.2001. strip thickness and technological mill settings. At most. 3. In this approach it is impossible to distinguish specific types of defects using results given by the ASIS. 3. Classes will be treated as a reference data based on which data analysis will be carried out. Such areas. with variance below 10-10. that will be used in creation of reli- – 290 – . Different defects occurring at hot rolling mill in Kraków production line were sorted in order to conduct the study. In this study it was decided to deal with this issue in more detailed manner. which has an influence on construction of a scale classification model and decides which features could be used in future work to build a reliable scale classifier. It was decided to manually select a set of reference defects. The number of possible defects that might be produced during production varies depending on steel grade. Bakker et al. Furthermore. Any transitions and transformations were not carried out during data cleaning stage.1. Features.. In the end.. Therefore. Sun et al. examines the characteristics of images and selects the rules by which it will be possible to classify newly emerging images. This was followed by manual classification of images based on expert knowledge and reference materials (Melfo et al. Choice of the best set of features describing variable "type of scale" It was decided to build Boosting Trees model in order to supply information regarding the most important features. Defects images were taken by ASIS from production line. On this basis. 2. returning as a result map of irregularities in the contrast detected on the surface of hot strip. As a result. It does not contain any missing fields or repeated observations.. Interactions between predictors are not taken into account. In order to seek the most important features describing categorical variable "type of scale" input data was analysed by the two data mining (Statsoft. as they supply unnecessary data at this stage of study.. which was passed to the further analyses. 2003. 2002. Han & Kamber. the end user (expert in the field) makes selection of images that he believes belong to specific classes of defects and arrange them in the program supplied by the manufacturer. Variables. This study focused on scale defects. 2004). DISTRIBUTION OF SCALES AT HOT ROLLING MILL IN KRAKÓW ASIS is monitoring whole coils production at the hot rolling mill. The research was concentrated on scale defects produced at hot rolling mill in Kraków. were removed as they did not carry any valuable information. raw data consisted of 744 variables. which had been significantly reduced due to correctness of reference data manual classification. which finds the best predictors for each dependent variable.

different parameterisations were analysed. i. Fig. Fig. Correctness of the Boosting Trees model depending on number of variables – without the use of redundant variables. efficiency of the model. Correctness of the Boosting Trees model depending on number of variables – with the use of redundant variables.34% of correctness on the test sample. Two variants were tested. Parameterisation was continued with the use 33 variables as they gave the best model at this point of study. Finally. . 3. in this paper. gave better model (figure 3). Only one parameter. maximum number of nodes. minimum cardinality of node at 123. the best model reached 93. 1. without the use of redundant variables (those with correlation between variables exceeding 0.e. Input data was divided into learning sample and the validation sample with 80% to 20% ratio.INFORMATYKA W TECHNOLOGII MATERIAŁÓW able classifier. Besides classification. In order to find the most efficient model. The change of a priori probability.8) and with redundant variables. along with their significance and short description. The core of the work was to find visual features that could be used in creation of efficient scale classifier. The rest of the parameters remained at default values. Parameters of best Boosting Trees model. maximum number of levels and minimum cardinality of descendant did not change – 291 – COMPUTER METHODS IN MATERIALS SCIENCE The benefit from construction of this model was selection of 33 variables.84% of correctness on the learning sample and 80. model defined the most relevant attributes that are the case of this study. First two items from the table 2 describe decomposition of scale on the strip. First case (figure 1) shows that the best model can be obtained for 21 variables. Table 1. proper work of descalers is only the cause of defects that should be eliminated. Number of variables Erase of redundancy data Fast variables selection Minimum cardinality of node Minimum cardinality of node of descendant Maximum number of levels Maximum number of nodes A priori probability 33 No No 123 1 10 13 Equal The second case (figure 2) gave much more promising results at 33 variables. Therefore. with 94. It is most often associated with abnormal work of descalers. Fig. 2. Correctness of the Boosting Trees model depending on number of minimum cardinality of node. First step covered testing of the model depending on number of variables. Table 2 presents collected variables.26% of correctness on the learning sample and 78. Table 1 contains gathered parameters of the model. Nevertheless. position of defects throughout the strip will be ignored. which describe characteristics of the scale defects.65% of correctness on the test sample. because they remove only a portion of scale covering the slab.

Figure 5 shows decomposition of the feature for single strip scale defect formed due to malfunction of the descalers. The attribute inform the classification system what is the biggest difference between the horizontal and vertical lengths among all dark segments in the defect (segments composed of dark pixels). Its shape resembles “V” letter. One example of feature. is not possible. were used to distinguish scale classes. The other type of visual feature. could be implemented as classification support is “horizontal to vertical difference of gradient range”.could be used in direct classification. Figure 7 shows decomposition for “V” scale.5 or -0. Fig. Significance of visual features. It is possible to create additional classification rules both in C++ language and T-SQL stored procedures (ASIS database). Subsequently. Figure 6 shows decomposition of the feature for line scale. these features along with sufficient logic will support automatic classifier (build by default within supplier software). is “maximum difference between horizontal and vertical dark segment length”. together with necessary logic.in the opposite to previous one . which is defect originating from a finishing train. Although. that. Figure 4 shows decomposition of the feature for line scale.3 and 0. COMPUTER METHODS IN MATERIALS SCIENCE Fig. – 292 – .DISTINCTION OF SCALES THROUGHOUT VISUAL FEATURES OF ITS IMAGES Most relevant features. Horizontal to vertical difference of gradient range – Single strip scale. The feature could support final classification decision between these two classes. which originates from the first stand of finishing train at the end of rolling campaign. straightforward use of the attribute to classify one of these scales.3 and 0. 5. Horizontal to vertical difference of gradient range – Line scale.1. that had been isolated from a wide variety of attributes given by ASIS. whenever it lies between -0. RESULTS . which . 4. It describes the numerical differences between horizontal and vertical gradient ranges (in grey scale) of the defect. 4.INFORMATYKA W TECHNOLOGII MATERIAŁÓW Table 2.

AISTech 2006. Otrzymane dane pomiarowe zostały przeanalizowane z wykorzystaniem metod selekcji cech. A. Model oraz jego kluczowe zmienne mogą opisać i rozróżnić poszczególne typy zgorzeliny.. którego podstawy działania przedstawiono w pracy. Second part of the paper describes process of Boosting Trees model creation for the scale classification. Fig.. which could be used in classifier building.. Principles of data mining.. The next step in the study will be scale classifier implementation with the use of manufacturer software. 2006. Difference between horizontal / vertical of maximum dark segment length – “V” scale. M. who supported this work at Hot Rolling Mill in Kraków and Professor Maciej Pietrzyk and Dr Łukasz Rauch for their enthusiastic encouragement and useful critiques of this research. Dippenaar. Z. dotyczących aspektów wizyjnych pojedynczych obszarów pasma. M. Danych pomiarowych. Deléglise. 2006..INFORMATYKA W TECHNOLOGII MATERIAŁÓW and Transact SQL stored procedures. Tieu. 2004. Schroyens K. Data mining: concepts and techniques.2. Journal of Materials Processing Technology. Koschack... were presented in this paper. J. Cleveland. 76-83. Hemmerlin.. Lu. J. Surface characteristics of oxide scale in hot strip rolling. 33 most relevant attributes for the model were selected. A. Webb. S. Cambridge. M. study assumes that creation of the best possible classifier could be hard to obtain using manufacturer software. In this case a threshold could be set at 0. W. C. A... Elektroniczy Podręcznik Statystyki PL. Journal of Materials Processing Technology. 2007. W ramach pracy postanowiono zająć się techniką pomiarową oraz wykorzystaniem danych pomiarowych do budowy optymalnego klasyfikatora wad tego zjawiska. Only part of the scale visual features. 1307-1312. R. 2002. ArcelorMittal internal defects catalogue. REFERENCES Bakker.. This kind of rule might be used in supporting logic to distinguish those two scale defects. Ohio.. 2006. High temperature oxide scale characteristics of low carbon steel in hot rolling.K. CONCLUSIONS AND PERSPECTIVES In the paper scale defects occurring at hot rolling mill in Kraków were divided into unique classes. In-Situ Study of Scale Formation under Finishing-Mill Operating Conditions. They will be used in the next classification process.... 140.M. J. H.. The MIT Press. P.. Improving Work Processes by Making the Invisible Visible.. 343-361. M. Mannila. A. Subsequently. U... Nevertheless. Breitschuh. Diaz-Alvarez.. Crowley. Along with the model. Noss. Kraków (in Polish). Ltd. Kamber.. Maximum difference between horizontal and vertical dark segment length – Line scale.. C. It will depend on manual selection of the scale defects and their assignment to proper class. Zhu. Lu.. These numerical visual features were used to describe each scale class by decomposition of its values. 5. Proc. W. W. Statistical Pattern Recognition (2nd Edition). 2006. Di Fant. II. Jiang. Hand. D. Acknowledgements. 25-35. C. Han. A.. R.. Reid. 7. Chichester. John Wiley & Sons.. University of Illinois. Valcarcel. Journal of Education and Work. H. Z. Smyth. Sun. G.. Association for Iron & Steel Technology. the features can be used in building reliable classifiers for scale recognition. 19. L.K. 2003. dostarczył automatyczny system kontroli powierzchni (ASIS). Kent.... Dallemagne. 155-156. Tieu. W. Jiang. a wybrane cechy posłu- – 293 – COMPUTER METHODS IN MATERIALS SCIENCE . To improve its classification decision some additional rules have to be created. The rules can be written in C++ programming language DOBÓR NAJISTOTNIEJSZYCH ASPEKTÓW WIZYJNYCH ZJAWISKA WYSTĘPOWANIA ZGORZELINY Z UŻYCIEM WZMACNIANYCH DRZEW KLASYFIKACYJNYCH Streszczenie Przedmiotem badań jest zaprojektowanie i wdrożenie skutecznego modelu klasyfikującego wszystkie rodzaje zgorzeliny występujące w walcowni gorącej w Krakowie. The author would like to express his gratitude to Mr Witold Dymek. This step will be assisted by knowledge described in this paper. Melfo.. Fiori. 2001. Statsoft. called postclassification. England. Urbana-Champaign. P.. Hoyles. 6. Fig. Sun.

wraz z otrzymanymi wynikami. 2012 COMPUTER METHODS IN MATERIALS SCIENCE – 294 – .INFORMATYKA W TECHNOLOGII MATERIAŁÓW żyły do budowy klasyfikatora dla wad powierzchni typu zgorzelina. Received: October 27. 2012 Accepted: November 16. 2012 Received in a revised form: November 11. które. Klasyfikator zaimplementowany został z wykorzystaniem metod eksploracji danych. zostały szczegółowo opisane w niniejszym artykule.

while ontological module serves the purpose of knowledge integration when different sources of knowledge are used. Kluska-Nawarecka et al. Studies are carried out on possibilities to apply modern knowledge engineering formalisms as it has been written in (Jančíková et al. Zakopiańska 73. Mickiewicza 30.COMPUTER METHODS IN MATERIALS SCIENCE Informatyka w Technologii Materia ł ów Publishing House AKAPIT Vol. Currently. Kluska-Nawarecka et al. Poland Department of Automation and Computer Application of Metallurgy. MILAN VROŽINA2. INTRODUCTION Currently. 2011. The initial part presents the results of a survey on the preferences of potential users of the platform regarding areas of the used knowledge and functionalities provided by the system. In recent years. JIŘÍ DAVID2.. VŠB – Technical University Ostrava 17. ZORA JANČÍKOVÁ2. The System is used as a coupling link in the diagnosis of defects in castings. still very poorly developed area remains that of the technological decision support tools.krakow.. 708 33 CZECH 3 AGH University of Science and Technology. including fuzzy logic.. The observed disappointment in this class of systems was due to some difficulties related with collection and application of a sufficient number of rules in knowledge bases. 2010). i... Švec et al. Key words: artificial intelligence. Spicka et al. Mrzygłód et al. On the other hand. DOROTA WILK-KOŁODZIEJCZYK4 2 Foundry Research Institute. Kluska-Nawarecka et al. rough sets. ontologies 1 1.. 2011c. 13. Herlinga-Grudzińskiego . 2010.e. databases integration. Poland *Corresponding author: nawar@iod. The guide facilitating the use of the platform is a "virtual handbook". knowledge. 2013. ZENON PIROWSKI1. the development of algorithms for automated knowledge acquisition has aroused a new interest of science centres in inference systems what has been described (Adrian et al. tools for integration of knowledge from distributed and heterogeneous sources. Ostrava-Poruba. KRZYSZTOF REGULSKI3. Zygmunt et al. technology platforms. 2012. 2007. technology platforms to share domain knowledge. the software market offers “knowledge" systems for computer-aided design and simulation processes (CAD / CAM) and also knowledge management tools and industrial information of the ERP / MRPII type.pl Abstract This article describes the works related with the development of an information platform to render accessible the knowledge on casting technologies. Cracow. No.. listopadu 15.1 Cracow. 2009. Cracow.. 2011a. Poland 4 Andrzej Frycz Modrzewski University.. the interest in expert systems supporting diagnosis and technological decisionmaking process has been subject to some fluctua- tions . distributed and heterogeneous sources. The second part contains a presentation of selected modules of the knowledge with attention focussed on their functionalities targeted at the user needs. decision tables and the ISSN 1641-8581 295 – 303 . 2012). 2 A USER-INSPIRED KNOWLEDGE SYSTEM FOR THE NEEDS OF METAL PROCESSING INDUSTRY STANISŁAWA KLUSKA-NAWARECKA1*. expert systems.

statistical yearbooks. including ontologies enabling modelling of domain knowledge. request for expert opinion  Branch stats. handbooks including descriptions of the possible types of treatment  norms. limited liability companies). The article outlines the future plans and gives selected results of work aimed at building a system platform with the task of creating and sharing the knowledge from the area of foundry technologies. databases  expert knowledge in case of defects . Therefore. In the questionnaire they were given the following options:  literature knowledge about processes. were selected from the circles of the scientists cooperating with plants processing different types of metals. foresight  industry statistics. and chemical compositions of materials. document templates. With the current rush of knowledge and data. ISO.INFORMATYKA W TECHNOLOGII MATERIAŁÓW use of multimedia techniques to render this knowledge accessible to users. balance sheets. descriptions of processes and applied technologies. etc. standards. studies. 1. namely the area rendering available the knowledge components. Polish Standards. ANALYSIS OF USER NEEDS When the work was started on the development of a concept of the structure. the main objective of the first stage of the work was considered to be an interview with the industry and scientific communities in Poland and abroad dealing in some way with the casting practice. experts It is clear that professionals reach most often for multimedia resources in the form of photographs and simulations. ready compilations  specification of requirements and properties. Surveys covered a specific range of the system utility. COMPUTER METHODS IN MATERIALS SCIENCE Fig. volume of production etc. 2. and ultimately the creation of semantically structured systems. Respondents were asked to indicate the types of knowledge they believe are most commonly demanded by the manufacturing plants. also for diagrams and visuals in the – 296 – .  photographs of castings and defects. and microstructures  reports and studies of own production. The selected companies represented the large.  market analysis  marketing data. data on production volume in a given sector. certifications. small and medium-sized enterprises (joint stock companies. data from Chief Statistical Office (CSO) The results of survey are presented in the form of a diagram in figure 1.  visuals: pictures. and on the substantive content of the system with determination of the functionality of each of its modules.irregularities in the process. unavoidable is the research on the methods of knowledge acquisition and integration. User preferences on the types of shared knowledge. The interview was conducted in the form of questionnaires and discussions carried out with the representatives of industry and research centres. it was considered necessary to refer to the needs of potential users of the system.  tables. computer simulations. to determine the need for different types of functionality of the future system rendering the knowledge accessible.

but also from all other sources such as databases. 6. databases.  specification of requirements and properties. production volume. or knowledge obtained algorithmically from the process data. consumption of materials. etc. Electronic standards. catalogues specifications of requirements and properties. catalogues. the respondents were requested to assess the individual potential functionalities of the future information system operating in their companies. and reports and studies of own production. To achieve this. catalogues. Expert systems. and handbooks and publications in electronic form. the need arises to design a knowledge base in such a way as to make it interactive. tables. it was assumed that the platform should include all major solutions developed in the course of previous works on the computer-aided manufacturing processes. As important the following ones were also identified:  norms. chemical compositions of materials. Definitely the highest rated was the proposed "virtual handbok" . photographs of castings and defects. certifications. Databases.  expert knowledge when it is necessary to have an expertise performed. catalogues of materials e-learning virtual training in advanced manufacturing technologies.g. 5. and microstructures. Probably the reason is effective circulation of such information and needs satisfied by the already existing tools and management systems. interactive courses in casting techniques expert systems discovering the causes of defects.  literature knowledge and handbooks. In order to clarify the need for different types of knowledge. databases.g. chemical compositions of materials. catalogues of materials – all of them reflecting the most common needs.INFORMATYKA W TECHNOLOGII MATERIAŁÓW form of charts and diagrams. E-learning. costs. List of potential functionalities of an information system. Poland. At the same time. The proposed list of functional features is presented in table 1. detection of process irregularities tools for classification determination of defect types and class/grade of material from which the product should be made. to enable user to get through a dialogue with the system just this knowledge that is necessary for solving of a problem. the above mentioned sources will have to be integrated and made ready for processing (e. as well as databases. Also highly rated were the visuals: photographs. it can be stated that such knowledge sharing is needed that. ISO standards. certifications Polish standards. University of Science and Technology.  market analysis and marketing studies. severity of defects 3. Of minor importance was considered industry statistics. Table 1. will also ensure a constant supply of current information and knowledge from the area of the casting practice. 2. At the same time it should be enriched with new modules and functionalities. while giving the user an easy to handle interface. pictures. simulations photographs of castings and defects. As a general conclusion from the survey and discussions held. Cracow. access to publications visuals: pictures. The responses obtained allowed establishing the following ranking of other functionalities: 1. statements and reports on e. tools to make reports based on production data. the specifications of requirements and properties. not only derived from the literature. etc. targeted at meeting the user's preferences as regards the application of new trends and opportunities that arise from the The list of potential functionalities of the system was based on the conducted research and currently available capabilities of a system developed as a result of cooperation between the team of workers from the Foundry Research Institute and Knowledge – 297 – COMPUTER METHODS IN MATERIALS SCIENCE Engineering Team from the Department of Applied Informatics and Modelling at the Faculty of Metals Engineering and Industrial Computer Science. standards and certifications. . chemical composition of materials.a platform to share the collections of documents with descriptions of processes and technologies. KNOWLEDGE-SHARING PLATFORM When the concept of a knowledge-sharing platform on casting technologies has been created. simulations. 3. microstructures electronic standards. reporting tools. Potential functionalities of information system virtual handbook descriptions of processes and applied technologies. handbooks including description of possible treatments. indexed for convenient search).4 Classification tools.

INFORMATYKA W TECHNOLOGII MATERIAŁÓW development of methods and technologies based on computer science what has been said in (David et al. The databases can be expanded in the future to include other standards. 2011. the platform has a multi-module structure. – 298 – . The main application of approximate logic is in classification. the user gets a general idea about the type of knowledge provided by the platform. 3. and catalogues) and the Castexpert system designed to serve as a tool for the diagnosis of casting defects assisted with knowledge presented in the form of multimedia. A casual scenario of the use of the handbook is presented as an example in table 2. Czech and French. Virtual handbook The virtual handbook. where individual modules can operate independently. is a kind of clause.. Olejarczyk et al. linkining together the functionalities of other modules of the platform. 2.. standards. The approximate logic is a tool to model the uncertainty arising from incomplete knowledge resulting from the granularity of information. System for decision support and classification of defects in castings The RoughCast system allows the use of approximate logic to enable a classification of casting defects according to international standards: Polish. 2010). The degree and manner of this integration depends mainly on the scenario of actions taken by the user (when using the system in an interactive mode). COMPUTER METHODS IN MATERIALS SCIENCE Fig. one can mention the Infocast system (including databases on publications. Below are outlined the results of the implementation of additional modules specific for the operation of the whole platform and which received most attention from the users. and the results of their actions are subjected (if necessary) to the process of integration.1. 3.2. and as a result can find out which variant in the scenario will lead him to a solution of the problem. Among the modules already existing and available on the Internet. Using this tool. Consequently. Specification of functional requirements for the knowledge module „Virtual Handbook”. whose schematic diagram is shown in figure 2.

The user writes in the subject 3. The user must have access to a computer and specified topic of the handbook Handbook ready to display. Sets determined in this way represent the division of the universe in terms of the indiscernibility relations for the attribute distribution. The conducted research allowed developing a methodology for the creation of decision tables to serve the knowledge of casting defects. etc. Using this methodology. Displaying the appropriate page of the handbook Special requirements Device with access to Internet. The user opens the Virtual Handbook interface (on-line) 2. source materials. Based on rough set theory.b and alternative sources of knowledge 3. expert knowledge.c using decision tables 5. a decision table was developed for the selected defects in steel castings. Algorithms of artificial intelligence are preparing relevant data for display in the handbook (semantic analysis with the use of ontologies) 7. A fragment of the array is presented in table 3. The most important step is to determine the upper and lower approximations in the form of a pair of precise sets. An example of the use of virtual handbook. The main flow of events 1. Expert. Name: Actors Shareholders/Stakeholders: Virtual handbook End User.) 4. Saving in XML files 6. Database updated and saved . Fragment of decision table for defects in steel castings as with this logic it is possible to build models of approximation for a family of the sets of elements for which the membership in sets is determined by the attributes. Cataloguing of data: a) Taken from the Internet by means of the Data Mining methods b) Statistical data using rule induction algorithms c) Data from sub-item 4. Table 3. Abstract class is the smallest unit in the calculation of rough sets.INFORMATYKA W TECHNOLOGII MATERIAŁÓW Table 2. elementary sets can be determined in the array. The system analyses the subject a) Finds data on the Internet and in the documents and databases in natural language b) Collects statistical data c) Searches alternative sources of knowledge (literature. Knowledge Engineer       Artificial intelligence Data Knowledge engineering Sources Data Mining Internet Short description Preliminary conditions Final conditions Preparing a specialised Virtual Handbook. Depending on the que- – 299 – COMPUTER METHODS IN MATERIALS SCIENCE .

the upper and lower approximation is calculated by summing up the respective elementary sets. The process of full-text cluster analysis was used to create the task category (conceptual clustering) as a method of unsupervised learning. based on the documents provided (in the correct format and in accordance with the established standards and norms). Owing to this method of the formulation of queries. It has been assumed that the most convenient way to build queries in the case of casting defects is by selection from a list of attributes required for a given object (defect). which. while the task of the aggregation analysis is to split these objects into categories (aggregations) and construct a description of each category (aggregation centroids). Articles will be grouped in clusters on the basis of the probability of adjustment determined by the number of occurrences of the common words. Cluster Analisys General design requirements apply to the data mining system. As a result of this process.INFORMATYKA W TECHNOLOGII MATERIAŁÓW COMPUTER METHODS IN MATERIALS SCIENCE ry. The classification of text documents is a very complex problem. For example. The process of cluster analysis will compare the sets of articles (with each other) in search for common words excluding irrelevant words (or.cluster analysis. This module is fully compatible with the directly cooperating document repository systems and databases. The main reason for the difficulties is the semantic complexity of natural language. as presented in figure 3. It contains tabulated knowledge on the characteristics of defects in steel castings taken from Polish Standards. but. polysemy. and on this basis the aggregation centroid will be created. The dimension of feature space in the document classification tasks. related to the number of possible words in a natural language (usually the order of tens of thousands of words). 3. The user can select the answer (the required attribute) in an intuitive manner. is also a difficulty. the first step of the task of conceptual clustering is to reduce the articles from the knowledge base to the basic grammatical forms. The knowledge base created for the needs of a RoughCast system is the embodiment of an information system in the form of decision-making tables. However. or it may also mean a set of specifically arranged data. The aim was to design a system operating efficiently. among others.). and should be. which represents a concept associated with this aggregation. to the greatest extent possible. The system operates on decision-making tables this structure of the data allows the use of an inference engine based on approximate logic. the system was equipped with a query interpreter in a semantics much more narrow than the original Pawlak semantics. Each of the resulting aggregations has its centroid. will carry out the task of clustering the documents by thematic classification based on data mining methods . The difficulties associated with the classification of documents written in natural language are related to.3. Thus set up queries are limited to conjunctions of attributes. The user chooses which characteristics (attributes) the selected defect has. This approach is consistent with the situation occurring every day when the user has to deal with specific cases of defects. the training set Ω is a collection of articles provided with a compatible system in the form of a knowledge base. susceptible to subsequent modifications or development. French directory of casting defects. whose main objective is to classify documents (articles) by a thematic classification. the term 'table' may refer to either a piece of furniture. these processes will be supported by a thesaurus (a structured set of key- – 300 – . The implementation of task module was developed based on the full-text clustering method. terms having many different meanings. Therefore. Czech studies. etc. each article is included into one of the resulting aggregations. Using this formalism it becomes possible to solve a number of difficulties arising from the foundry knowledge granularity in the form of indistinguishable descriptions created with attributes and inconsistent classifications from various sources (as in the case of standards for steel castings). there is no need for the user to know the syntax and semantics of queries in the approximate logic. the representation of documents using the selected (small) number of words will reduce the quality of classification. and not with the hypothetical tuples. numbers. also. etc. supported by the use of a thesaurus. The system maintains a dialogue with the user asking questions about the successive attributes. In the task of conceptual grouping.e. i. enabling the efficient classification of new articles. to make this dialogue possible without the need to build a query by the user in the language of logic. and German textbook of defects. On the other hand. To improve the quality of cluster formation and classification of new articles. and therefore the query interpreter has been equipped with only this one logical operator.

Aggregation_Centroid_Path<>'' and Aggregation_Centroid.ID_Centroid context Aggregation_Centroid::get_PATH : String post: rezult self.Aggregation_Centroid_Path<>'' context Aggregation_Centroid::get_ID : Inteager post rezult = self.Aggregation_Centroid_Path The use case diagram is shown in figure 4. Fig.Aggregation_Centroid_Path Fig. 3. In table 4 there is a description of one of possible utilizations discussed algorithm.INFORMATYKA W TECHNOLOGII MATERIAŁÓW words).allinstance ->forall (p1.ID_Centroid <> p2. 4.ID_Centroid >=1 and self.p2) p1<>p2 implies p1.ID_Centroid and Aggregation_Centroid. context Aggregation_Centroid inv self. context Aggregation_Centroid::Generate_Aggregation_Centroid() : Boolean pre: self. which will also eliminate the problem when compared to the sets that do not have the same keywords in the text.p2) p1<>p2 implies p1.Aggregation_Centroid_Path = '' post self. Constraints can be formulated in OCL for the class Aggregation_Centroid as exemplified is given below.allinstance ->forall (p1.Aggregation_Centroid_Path<> p2. Use Case Diagram. and yet belong to the same category. Diagram of classes in the module of document aggregation analysis. – 301 – COMPUTER METHODS IN MATERIALS SCIENCE .

A. 2007. E. Z.F. 2011a.T. System sends the created database. 183-186. Conf. K. 2011. Berlin. Description of the case of use. REFERENCES Adrian.. S.. Dobrowolski. Janiak. D. 13-22. I.. Durak.. J. 2011c. Regulski. 2.. 9. N. Selecting modules of the platform described in the article. Third International Conference. 52-61. S. Kopal. The Influence of Rubber Blend Aging and Sample on Heat Transport Phenomena.. 1.G. Receiving knowledge base System performs cluster analysis for the resulting knowledge base. Wilk-Kołodziejczyk. R. Application of Bayesian network in the diagnosis of hot-dip galvanising process. The system also manages the module of document clustering by the method of Data Mining. then a new topic will be created to which these articles will be assigned. T. Proc. I. 2. Hutnik Wiadomości Hutnicze. Katarzyniak. Kluska-Nawarecka. J. 67-70 (in Polish).. David. N. J. G. Short description: Pre-conditions: Post-conditions: Main flow of events: Alternative flow of events: Special requirements: 1. It performs import operations on documents from a knowledge base and export operations on the resulting database to ontology classes. Regulski... Jonšta. C. Vrožina. the knowledge base must be delivered.. Practical aspects of knowledge integration using attribute tables generated from relational databases. It has been the intention of the creators and promoters of the platform to offer a system that will have an evolving nature. A.... Jančíková. eds. B. FINAL REMARKS The article describes solutions developed for selected modules of a platform for sharing the knowledge of foundry technologies in the context of the preferences expressed by users... 3. Automatic clustering of documents in terms of thematic fit. the artificial intelligence system must initiate the delivery of a new article. For the main flow of events to occur. 359-369. Springer. Kluska-Nawarecka. Mrzygłód. 341-346.. 2. DziaduśRudnicka. 11. it was attempted. Ružiak. 10.F. Computer Methods in Materials Science. Model strukturyzacji wiedzy dla systemu wspomagania decyzji. 820/N-Czechy/2010/0.. Computer Methods in Materials Science. COMPUTER METHODS IN MATERIALS SCIENCE – 302 – . 317-323. Wilk-Kołodziejczyk. G.. D. Kim. on the one hand.. and all these articles are characterised by a high degree of fit with each other. 312-315. Inteligent Information and Database Systems. 4. Defect and Diffusion Forum. It seems that studies carried out to create this context make an interesting contribution to the contents of this article. 1.. When there is a limit to the number of articles classified to various topics. to expose the way by which they will be adapted to the declared user needs.T. the cluster analysis classifies it into one of the topics.. Chiu. System creates a new database of articles grouped thematically based on cluster analysis carried out. 2011. 4. K. Adrian.. 2011b).. S. 1. 2011b.. Currently work is underway on the implementation of modules of the automatic acquisition of knowledge from the Internet and on the analysis and classification of text documents which is presented (Kluska-Nawarecka et al. A. D. and will be gradually enriched with new modules. Jančíková. D. Acquisition of technology knowledge from online information sources. When new article is downloaded. Marcjan. Nguyen. 2009. to show their diversity and. Decision No. Kluska-Nawarecka. P.. Hong... eds. S. Nguyen. 2012.. Mrzygłód. ACIIDS 2011.. Korea.. C. Name: Actors: (Stakeholders/Interests) Automatic clustering of documents System The system manages the service module of the operations of the database. according to the emerging needs. Kluska-Nawarecka.. Nawarecki. 107-112.. Archives of Foundry Engineering.. Wilk-Kołodziejczyk. B. on the other. Determination of crystallizer service life on continuous steel casting by means of the knowledge system. Daegu. Transactions On Circuits And Systems. Wilk-Kołodziejczyk.. Rough Sets Applied to the RoughCast System for Steel Castings. Z. Obtaining edited documents and information in the form of a knowledge base Thematically grouped forwarded database of articles. Scientific work financed from funds for the scientific research as an international project. Structuralization of knowledge about casting defects diagnosis based on rough sets theory. since the results of such surveys are not often disclosed in the presentations of different expert and decision-making systems.INFORMATYKA W TECHNOLOGII MATERIAŁÓW Table 4... M. Dobrowolski. Smolarek-Grzyb. S. A. Heidelberg. Kluska-Nawarecka. R. Semantic Methods for Knowledge Management and Communication. 7. For an alternative flow of events to occur..

. C. 2012. Jančíková. 155-159. Archives of Metallurgy and Materials.. Conf. 2010.H. 197-221 (in Polish).INFORMATYKA W TECHNOLOGII MATERIAŁÓW Olejarczyk. 2012 Received in a revised form: November 28. Warszawa. Švec. system Rought Cast służy do sprzęgania diagnostyki wad odlewów. Mądrzejowski. Rolę przewodnika ułatwiającego korzystanie z platformy pełni „wirtualny poradnik”. A. E... zaś moduł ontologiczny. 55. B.. Analiza otwartych zrodel internetowych z zastosowaniem metodologii sieci spolecznych. Filipkowski. Spicka. Implementation of neural networks for prediction of chemical composition of refining slag. Melecký.. W. 2012 – 303 – COMPUTER METHODS IN MATERIALS SCIENCE . Beck. J. Tanger. SYSTEM UDOSTĘPNIANIA WIEDZY INSPIROWANY POTRZEBAMI UŻYTKOWNIKA Z ZAKRESU PRZEMYSŁU PRZETWÓRSTWA METALI Streszczenie Artykuł dotyczy prac związanych z realizacją platformy informatycznej. służącej od udostępnienia wiedzy z zakresu technologii odlewniczych. I. Część druga zawiera prezentację wybranych modułów wiedzy ze zwróceniem uwagi na ich funkcjonalności ukierunkowane na potrzeby użytkowników. Z. Mrzygłód. Koštial. 2010. 921-926.. Heger. 55.. J. 2010. P. Franz.. The mathematicalphysical models and the neural network exploitation for time prediction of cooling down low range specimen. 2012 Accepted: December 7. Proc. Koźlak. 171-179. A. International Conference on Metallurgy and Materials.. Bialy wywiad: otwarte zrodla informacji – wokol teorii i praktyki. Nawarecki. Metal 2010.. Zygmunt. J. pozwala na integrację wiedzy pochodzącej z różnych źródeł. Algorithm for controling of quench hardening process of constructional steels. eds: W. I. Adrian.. Archives of Metallurgy and Materials. Adrian.. P. H.. Received: October 16. W części początkowej przedstawiono rezultaty sondażu dotyczącego preferencji potencjalnych użytkowników platformy odnośnie obszarów wykorzystywanej wiedzy oraz funkcjonalności udostępnianych przez system. M.

semantic search. Nawarecki et al. ARKADIUSZ HARATYM2. whether he is looking for publications on the subject indicated. Slovenian. KluskaNawarecka et al.. Poland AGH University of Science and Technology. German. Together with NORCAST. proceedings of conferences. and its immediate purpose is to build an integrated knowledge base. GRZEGORZ DOBROWOLSKI2. Kluska-Nawarecka et al. CONTEXT OF THE RESEARCH WORKS For many years. and R&D works written by the staff of the Foundry Research Institute. and will make the search for properties (relations). Mickiewicza 30. No..edu. Cracow. not just the keywords.pl Abstract 1 This paper presents the concept of knowledge sharing platform.. Key words: knowledge integration. the SINTE database forms a part of the INFOCAST system. In 1997. Zakopianska 73. 2 THE PLATFORM FOR SEMANTIC INTEGRATION AND SHARING TECHNOLOGICAL KNOWLEDGE ON METAL PROCESSING AND CASTING STANISŁAWA KLUSKA-NAWARECKA1. casting 1. In thus extended knowledge base it becomes increasingly difficult to reach to the information searched. Semantic search will resolve the difficulties encountered in the class of Information Retrieval Systems associated with polysemy and synonyms. a decentralised decisionmaking information system which is intended to support the casting technology both in industry and in scientific and research work (Marcjan et al. construction tools for integrated knowledge bases have been developed (Dobrowolski et al. that is. at the Foundry Research Institute in Cracow. Ukrainian). This is particularly true when the user does not know in advance what kind of resources will be of interest to him. which uses an ontological model for integration purposes.000 articles published in various casting journals (American. Poland *Corresponding author: regulski@tempus..metal. 2007. 2012. 304 – 312 ISSN 1641-8581 . EDWARD NAWARECKI2. An open platform model using Semantic Media Wiki in conjunction with the author's script parsing the domain ontology will be presented. or for the information on standards and certificates. 2002). 2005).agh. 30-059 Cracow.. Czech. Russian. English. the Institute launched a SINTE database. CASTSTOP and a CASTEXPERT diagnostic system. The platform is expected to serve the needs of the metals processing industry. which will allow the semantic search supported by domain ontology. knowledge base. French. 2002. or for knowledge in the form of rules or guidance on the characteristics of materials and physico-chemical properties. which is a bibliographic casting database containing abstracts of over 38. 2013. 13.COMPUTER METHODS IN MATERIALS SCIENCE Informatyka w Technologii Materia ł ów Publishing House AKAPIT Vol. Górny et al. KRZYSZTOF REGULSKI2* 2 Foundry Research Institute. The studies carried out at present are aimed at improving the information retrieval systems (IR systems) in such a way as to make the collection and sharing of documents easier and more functional from the user’s point of view. possible.. metal processing. 2009. decision support.

These descriptors allow us to describe the content of the document and make the search of the database possible. However. The system should allow the design of a knowledge base in such a way that it is interactive and makes the codification of expert technological knowledge possible. and also in a way transparent to him. the system has some limitations. such as databases. where individual packets of information and data. the database offers the possibility to search for Polish counterparts of foreign standard alloy grades. as the Platform is an open system. THE PLATFORM FOR SEMANTIC INTEGRATION AND SHARING KNOWLEDGE ON METAL CASTING – CASTWIKI The knowledge sharing platform should act as an intermediary between the user and heterogeneous sources of knowledge. The aim will be to provide the end user with a transparent access to the integrated knowledge base based on – 305 – COMPUTER METHODS IN MATERIALS SCIENCE . usually based on keywords. 2012. The answer and the way to solve this problem. The task of the proposed system will be the semantic integration of the collected data. Zn and Mg. information and knowledge. Using appropriate knowledge formalisms. Cu. such as description logic-based ontologies. such as the SINTE database. coming not only from the literature. which is a set of descriptors arranged in hierarchies. The solutions and implementations presented in the previous section comprise the knowledge modules that can operate independently (as evidenced by the experience). it aims at integration of resources in such a way that going through a variety of sources is done with a significant benefit to the user. 1999). The platform is to be conceived as an ontological tool for integration of various subsystems in a semantic network. taking also into account the possible upgrading process. Additionally. also in this case. malleable cast iron. Among the knowledge bases used in the Foundry Research Institute. Recent studies done at the Foundry Research Institute among experts from the world of industry led to the conclusion that the goal should be to create a platform for knowledge sharing that by giving the user an easy-to-use interface would provide him with a steady supply of current information and knowledge in the field of the metalcasting practice. The platform aims at knowledge sharing for non-routine tasks that are difficult to predict in the normal course of production. Categorising is done with the help of a structured thesaurus. a CASTSTOP system also appears (Połcik. such as grey cast iron. operating via a system. namely it does not include knowledge of the material properties that can be obtained by thermal or mechanical treatment. requires the use of a knowledge model of the treatment processes.INFORMATYKA W TECHNOLOGII MATERIAŁÓW In extended IR systems. It likewise gives no possibility for defining the rating of response (documents) in relation to the request. An attempt to create an algorithm which will enable searching the material by its physico-chemical or mechanical parameters. this way of cataloguing the content has some important limitations. can be the semantic search based on ontological model. these sources will need to be properly integrated and ready for processing (at least indexed for easier search). and thus cannot be easily compared for different national or foreign suppliers. 2004. Knowing the technical requirements of the designed product. as well as components of the knowledge transferred in the system are described using metadata in accordance with the shared ontological model.. It allows the selection of cast materials based on their physico-chemical and technological properties. 2. although the document is closely connected with that word) pushed researchers towards semantic description of documents using models in description logic (Ciszewski & Kluska-Nawarecka. there are internal tools for cataloguing the content. 2008). The search based on keywords does not allow accounting in the results for the natural semantics of the measure of distance between the query and a set of documents. as it happens in the library catalogues. Mrzygłód & Regulski. also in this situation. or knowledge obtained algorithmically from the process data. Total content of the database includes information on more than 1000 alloys. but also from all other sources. the user can select the appropriate cast alloy meeting these requirements. To achieve this. Such information goes beyond the scope of standardised material properties. and cast alloys of Al. but using them to create an integrated information and decision-making system enriched ontologically would provide additional functionalities and make it easier for the user to use the functionalities already existing. However. Regulski et al. so that they can be explicitly used (shared) by the individual modules and also remain ready for reuse by other computerised systems. Problems associated with polysemy (variety of meanings depending on the context) or synonyms (if the word does not appear in the document.

computer-processable manner. and therefore. finding information related to this concept. overcoming the problem of differences in the systemic. 3. syntactic. so far. but a simplification can be used: for knowledge repositories. cast steel. often preventing a clear identification of the concept. For example. Ontology is not a database schema. and Cast Iron. and semantic areas which. on which the reasoning in CastWiki Platform will be based.INFORMATYKA W TECHNOLOGII MATERIAŁÓW heterogeneous resources. Such language for the description logic has proved to be OWL (Web Ontology Language). HotCrack Hence it follows that concepts can be built from atomic ideas (casting. ONTOLOGIES – MODELS IN DESCRIPTION LOGIC – APPLICATION The Descriptive or Description Logic (DL) is a subset of First Order Logic (FOL). The descriptive logic allows creating definite descriptions that depict the domain using concepts (unary predicates) and roles (binary predicates). in the DL record may look like this: Casting  made. and constructors. 1. All together. a model of a field of knowledge. it is a diagram. – 306 – . HotCrack). ontologies allow integrating a wide variety of distributed sources of knowledge in a given field. understandable by both computers and humans. The basic element of representation are unary predicates corresponding to a set of objects and binary predicates mapping relationships between objects. COMPUTER METHODS IN MATERIALS SCIENCE Fig. Creating a kind of shared formal language. Properties. Using logic one can create definitions of concepts: Casting CastSteel Product  cast. which can be used to represent a domain in a formalised and structured and. a steel casting with hot cracks in two places. Directly under the parent class there are 5 main categories: Treatment. Symbolic representation with directed graph of a fragment of domain ontology in the field of cast iron. The Department of Applied Informatics and Modelling at the AGH Department of Metals Engineering and Industrial Computer Science has developed a domain ontology for different cast iron grades and changes in their properties under the influence of treatment presented in figure 1. defective = having a defect). and therefore a very important issue was to create simultaneously such a language that would allow the symbolic language of logic to be written in the form of computer code. Carbon_form. The integration tool will be ontologies. at the same time. Alloying_elements. atomic roles (made = made of. has been the biggest challenge for computer tools. ontology is that what the entity diagram is for a database.CastSteel (2 defective)  defective. accumulate more than 90 general terms.Mould or axioms: Alloy („everyCastSteel is Alloy”) Description logic was created for the ontology.

it requires minimal skills to edit and add new content. which most of internet users have already encountered and become familiar with.  Wiki keeps the knowledge resources constantly updated through editing. Much more functional has proved to be the system that provided the ability to insert the content directly. OntoGRator System 3. that we allow the discussion to be started on a given topic. but being the sole repository of a company. Systems operating in this way. which consisted of the two main subsystems:  OntoGRator Engine . giving the opportunity to generate the phenomenon of externalisation of knowledge. recording of experience and results of the creation of new (experimental) knowledge by free editing of entries. among others. inherit from Wikipedia several advantages:  Wiki tools are a popular source of information and knowledge. The ability to create a "stub article". and millions of users around the world every day add new definitions and edit the existing ones. Additionally. and user had no access to them via the network interface. the system was becoming incomprehensible. The OntoGRator system developed at that time allowed describing in a strict and formal manner the area that the integrated data were related with and also specifying the semantics of integrated resources. supports discussion on specific concepts.wikipedia. This subsystem provides the data. However. a very complex structure of the system. but discussion leading to the development of a final version of the problem is an integral part of the entry in Wiki.  Wiki structure provides a description of the concepts in natural language. Regulski et al. CastWiki Platform – 307 – COMPUTER METHODS IN MATERIALS SCIENCE At the Foundry Research Institute in Cracow. is a key aspect here. and the ability of other users to introduce their own amendments.1..2. instead of placing the URL / URI for each resource. attempts to use ontologies for integration of knowledge in the field of metal processing have already been going on for several years in cooperation with the AGH Department of Computer Science (Dobrowolski et al. The lack of success was due to. and by maintaining the history of discussion on a given topic can also be personalised. a wiki-type tool successfully meets the most important demands of the knowledge management: it allows the codification of knowledge. this assumption turned out to be ahead of its time the actual databases often did not provide any API.engine that integrates data from multiple heterogeneous sources. Without basic knowledge of the ontology. too short to serve as a definition of the encyclopaedic nature. Wikipedia's success has inspired software developers to implement industrial systems operating on the same principle.  Wiki technology is as simple as possible. which is only a draft definition allowing for the extension. including information on the problem area contained in domain ontology. and is available to everyone..application in J2EE technology presenting in the form of web pages the integrated ontologies available through the Jena API programming interface. in the form of new. it did not enjoy the sympathy of its potential users. Thus. which the user had access to (Adrian et al. A user who was not a knowledge engineer might have great difficulties in understanding the operating principle of the system. known as content management systems (CMS) or idea management systems. by creating first a short description. and at the same time contains a unique URI which is an effective way to identify concepts in the knowledge model. and at the same time a high level of quality of the accumulated knowledge is maintained through supervision and control.  OntoGRator Web . Although the OntoGRator system was solving problems of a semantic description of the area which the processing of metals is. which it has integrated. Other .INFORMATYKA W TECHNOLOGII MATERIAŁÓW 3. The example of Wikipedia (http:// en. 2007). expanded by the data from external sources. incomplete and uncertain. 2007. but still giving some information about the topic. 2008). such as databases and documents from servers located in the Internet. Participation in editing Wikipedia is voluntary and unpaid.. ontology.org/) shows that it is possible to create a system in which each user has the ability to edit and add content. It is precisely in this way. operating through the Jena API programming interface. the mere idea of the system assumed its ability to integrate structured knowledge resources.

but also highly specialised. Description of classes in CastWiki. Another problem that is solved due to this structure of the knowledge model is the problem of COMPUTER METHODS IN MATERIALS SCIENCE Fig. catalogues. The integration of these data and knowledge resources (as well as those added during the use of sources) consists in describing the resources by homonyms.INFORMATYKA W TECHNOLOGII MATERIAŁÓW users can participate in determining the definition of the concept. which can also serve as a reference to the class description in ontology. animations. Such a scheme of action allows the collective creation of knowledge resources. In this situation. However. Ontology editing tools such as Protégé permit the placement of descriptions in text form directly in the description of the OWL ontology. a description in natural language can be added. Cocreation by multiple users makes the situation when for the same substantive term there are several articles under various entries (e. Creating the "stub articles" is a voluntary activity. which forces the – 308 – . it is necessary to integrate duplicate articles and create redirection of individual entries to the integrated article. then mapping their structure to the underlying ontology components. Wiki mechanism allows the inclusion of such types of content as:  descriptions in natural language.  links to all the resources available in the network (documents. which allows placing adequate terms directly in ontological description. which the definitions in natural language are. being a component of other knowledge systems (e. images. terms (concepts) of ontology. which will be a list of words that share the same spelling and pronunciation with a short note about the context of each word.g. They also allow user to place references in the form of a URL. the aim of which is to liberate the externalisation of knowledge by encouraging discussion on a given topic. adding fragments of the description. For each class in the ontology. Ontology facilitates the analysis of overlapping terms through the rdf: SeeAlso property. photographs. This gives the possibility to transfer the unstructured knowledge. Ontology also solves the problem of homonyms: the model itself cannot have two classes with the same name. Each concept (article) in CastWiki acquires its unique URI / IRI.g. databases) and having its own URL. That is why it was necessary to create a separate platform. INFOCAST.  graphic files. it allows the integration of knowledge already stored in digital form. In this way. and photographs to CastWiki knowledge base. MediaWiki software was applied as a platform used by Wikipedia and made available under the GPL licence. L200HNM cast steel. thus greatly facilitating the work of CastWiki editors. Knowledge in industrial plants is valuable. Concepts with the same name require the creation of an additional article in CastWiki. The system called CastWiki schematically presented in figure 2 is designed to provide a platform for the exchange of knowledge and saving the casting knowledge by specialists in the field of metal processing. shared conceptualisation. CastExpert + etc). 2. The problem in Wiki-class systems is page duplication and redundancy of knowledge. Wikipedia as a public system is not an acceptable solution for companies that need to restrict access to their knowledge. which is also G200CrMoNi4-3-3 cast iron).  hypertext links to other concepts in CastWiki. using standard Wiki specifically for the needs of foundry plants. so-called.

For example. not just its member classes. The concept. Users gain the ability to create descriptions not only for classes and instances in the ontology. for which the basic Wiki version has no place in a separate article. knowledge about how to prevent the casting defect would have to be included in the description of a particular type of defect. The in- – 309 – COMPUTER METHODS IN MATERIALS SCIENCE . OWL DL ontology structures can be divided into instances that represent individual elements of a particular domain. quickly became the main tool for the classification of documents in Wikipedia and other Wikimedia Foundation projects. Semantic annotations that have been developed for SMW are designed in such a way as to enable a faithful export of ontologies in OWL DL format. classes which are aggregates of instances with the same characteristics. Semantic CastWiki Semantic MediaWiki (SMW) is a complex semantic extension of the MediaWiki platform (a free Wiki-type solution licensed by open source. valuation. Wikipedia does not allow the definition of relationships. This form of knowledge collection provides hypertext structure of the system and ease of navigation across the resources offered to the user who needs no preliminary knowledge of the conceptual model of the system. but also for relationships (object properties). this application provides the basic mechanisms for the performance of semantic issues. 3. cannot have a representation in the form of a Wikipedia entry. It also provides a platform for software development. which is a basis for most of the projects such as Wikipedia. This mechanism was also used in the clustering of ontology elements:  OWL individuals . it is also a tool to validate the correctness of the Wiki engine "reasoning" in respect to the annotations introduced earlier. while collecting all the known resources of knowledge on this subject (including specification of defects which are related in the article. developed by the Wikimedia Foundation. which allows performing an easy transcription from one format to another. too (People space. Ontology also provides the ability to create a more structured knowledge base than the traditional wiki approach. At the same time. In the present work.) by the mechanisms to improve extraction.INFORMATYKA W TECHNOLOGII MATERIAŁÓW ontology engineer to extend the class name in such a way as to give the context in accordance with the namespace. CastWiki allows us to create an article integrated with the preventive_means relationship so that the user can easily create a document that contains basic information about how to prevent defects. Therefore. Pages of this type account for a significant portion of the data contained in Wiki. The category system.3.they have a counterpart in the basic mechanisms of MediaWiki as a category. The way in which SMW represents knowledge was partly inspired by solutions such as Web Ontology Language.  OWL classes . For those who are supporting and complementing Wiki. or links to specific procedures to prevent defects). the user navigating across the ontology can easily find a definite description of relationship.  OWL properties . and attributes describing logical relationships between instances. It allows users to view the most important facts about the subject. OWL distinguishes the relationships between data (assigning numerical value to ontological element) and between objects (the relation of two ontological elements). and are supplied with the extension of SMW. in an ontology there is a relationship preventive_means.the relationships between ontology elements have no counterpart in the MediaWiki engine. search. They can be organised hierarchically in a similar way as it is done in OWL ontologies. which is a non-autonomous object. Usually they are grouped in the main namespace. which makes it the fastest growing project of this type in the network. marking and publishing of Wiki content. From a technical point of view. but can be stored in some other spaces. Category pages are grouped in the namespace of the same name. a factbox is used. which has been an integral part of the MediaWiki platform since 2004. Image space).these elements are represented as regular articles. nor does it impose restrictions on expressiveness. Namely. Creating one’s own CastWiki system is a way to avoid this limitation. the MediaWiki platform uses the namespaces to group the pages by content. In order to easily browse the semantic annotations found on the Wiki page. Wiktionary and Wikinews. Semantic MediaWiki simplifies this division by aggregating all types of relationships in the namespace called Property. It is worth mentioning that the SMW user interface does not require a formal interpretation of OWL DL.

– 310 – . use).INFORMATYKA W TECHNOLOGII MATERIAŁÓW formation is displayed in two columns: the first. contains attributes used on the page (e. allows a relatively easy optimisation. Each attribute name is also a link to its site. 340. Author's script. Parsing of domain ontologies – implementation of the script The recommended method of entry of the ontology into the Wiki structure is by creating one’s own Wiki parsing script. For example. but a multitude of ontological formats and change in the approach of the authors of the application to the construction of semantic structures in Wiki caused giving up the idea of a development of this tool (in most of the recently launched scenes it has been removed completely). Next to each attribute there is a special magnifying glass icon which is a link to a simple semantic search engine. where one can usually find basic information about this attribute (meaning. Fact table – a description of links. the population). which allows quick browsing of all the semantic annotations as presented in figure 3. depending on the user needs. for example. the fact table may include. SMW initially circulated such a possibility. The script applied in SemaWiki to load the ontology was implemented using the Python Wikipediabot (pywikipedia) programming platform. the search engine can also provide pages with an approximation of this value. Taking into account the available libraries working with MediaWiki it also gives the possibility of parsing most of the popular ontology formats. Below the list there is a form in which one can specify any desired attribute-value pair.g. From the point of view of the Wiki platform. Depending on the design of the attribute. It is a set of tools to automate the work on the pages of MediaWiki and other popular Wiki engines using web COMPUTER METHODS IN MATERIALS SCIENCE Fig. its value in different units of measurement. if a web page is labelled [[is an alloy::Iron]]. 3. 000). in turn. crawler. starting from the left. In the header of the fact table there is an eye icon. 3. If the attribute value is numeric.4.g. the user will receive a list of all the sites that meet this requirement. robot is a normal user with specific access rights. while the second one stores the values assigned to them (e.

i. but in the long run it could decide about the survival and competitiveness of an industrial plant. can also easily share new resources and integrate the ones already existing. Such a condition. the query [[has alloying element :: Nickel]] will generate all pages. functional tool that allows for the creation in an enterprise of new channels of communication and knowledge transfer. which allows taking full advantage of the knowledge accumulated in the company. In the case of attributes taking numerical value. After verifying that the robot correctly loaded the ontology and logged on to the designated Wiki. so its name must begin with the keyword "Category". If the condition is not met. which will generate a list of all pages in the category "Cast Iron" with value "nickel" for the attribute "has alloying element". With ready-to-action ontology. Additionally. – 311 – COMPUTER METHODS IN MATERIALS SCIENCE . First in line is the class structure. or with information from other purchased systems. Thus shaped system has a huge advantage over the dedicated systems with a ready knowledge base. the child class becomes the parent class. give easy access to proven best practices that exist in the company. however. support knowledge management and reduce the barriers of entry for companies wishing to expand the range of products. the natural class name is extracted. It is above all much cheaper. it shall not be reflected in the ontology. Such a system can be built at minimum cost . no reasoning is carried out. no class shall be neglected. Of course. with the continuously expanding knowledge bases of a Wiki type. In this way. the application will ask whether to create a page to an earlier question. If it has not been already included in the base. Simple search by attributes. Each resulting subject-object pair will be represented in CastWiki as a category page. This process is not much different from the completion of a database content in simple Wiki. SUMMARY The designed platform is a complete. does not guarantee the extraction of all classes from the ontology. Every employee can participate in the development of a knowledge base. The syntax allows creating queries based on the logic of sets such as [[Category: Cast Iron]] [[has alloying element ::! Nickel]]. if a relationship is not defined directly.the cost is actually just the time. The algorithm takes subject-object pairs combined by a relationship: rdfs: subPropertyOf. the introduced phrases can be much more advanced. to obtain the required transparency. all classes declared in any ontology are subordinate to the Class Thing). from each URI. 3. especially experts’ time. a rdflib package is used. It is worth noting that during transcription of ontology. At the same time it is possible in the process of implementing CastWiki to fill a basic knowledge base with the resources accumulated previously.1%]] [[has content of C :: <2%]]). 4. An algorithm in each iteration of the loop finds a subject-object pair joined with verb such as rdfs: subClassOf. For this purpose. For this task. but still not catalogued. The resulting pages are tested under four conditions. Entering attributes to Wiki structure is done in the same way. CastWiki must be extended by the staff. would be insufficient in the long run. but it is cheap and easy to use. there is the additional possibility of declaring the search ranges ([[has content of C :: > 0. which takes the time. and facilitate the development and transfer of knowledge.5. The platform provides employees with complete information about all the resources of knowledge that are available in the organisation. The first checks if parent category is not a class Thing (highest class in OWL. This is due to the fact that.can significantly affect the competitiveness of the casting plants. attributes are not grouped under one and the same parent attribute. similar to the solutions used in the same tags. The implementation of such a system can prevent employees from repeating the same job many times. For example. the user can start adding pages.e. Implementation of integrated knowledge management systems. actual parsing begins. The easiest way is to enter into a standard MediaWiki search engine the name of a specific term. Then are defined namespaces used in parses ontology.ontologies . a special syntax has been designed. as well as decision support systems requires long-term investments.INFORMATYKA W TECHNOLOGII MATERIAŁÓW The first step is to import the necessary libraries that allow us to edit the ontology while preserving the logic graph. Semantic search for which the attribute "has alloying element" assumes the value "Nickel". in contrast to classes. Therefore CastWiki also provides the ability of search based on formal questions. The proposed tools .

Teresa Mroczek. Pt.. Katedra Informatyki. Today. Scientific work financed from funds for the scientific research as an international project.. 7 no. Cz. Hutnik Wiadomości Hutnicze: czasopismo naukowo-techniczne poświęcone zagadnieniom hutnictwa: organ Stowarzyszenia Inżynierów i Techników Przemysłu Hutniczego w Polsce . B. 2012 COMPUTER METHODS IN MATERIALS SCIENCE – 312 – . 2008. Arhipovoj. 79 nr 3 s. G. 169-172 Ciszewski. E. Platforma ma służyć celom przemysłu przetwórstwa metali: budować zintegrowaną bazę wiedzy. Z. 2007.2012 R.: Online expert system supporting casting processes in the area of diagnostics and decision-making adopted to new technologies. 85-102. 285-289. H.. Received: November 16. . S. Kluska-Nawarecka. information used in foundry practice is in no way different from other data. Marcjan. ed. K. S. Archives of Foundry engineering. Acknowledgement.. Marcjan. Heidelberg: Springer-Verlag.. w której możliwe będzie wyszukiwanie semantyczne wspierane przez ontologię dziedzinową. Kul'by. eds. E. dekabr' 2008 / red. 385390. H.Berlin.Gdańsk: CI TASK.Kraków : Instytut Odlewnictwa. R. Berlin: CODATA. 56-64.. a także umożliwi wyszukiwanie pod względem właściwości (relacji). Przedstawiony zostanie model wykorzystujący otwartą platformę Semantic Media Wiki w połączeniu z autorskim skryptem parsującym ontologię dziedzinową. Juliusz L. 83-88... cop. Regulski. 2012 Received in a revised form: December 5. Hippe. Marcjan. Computer Methods in Materials Science: quarterly / Akademia Górniczo-Hutnicza.. Jerzego J. Innowacje w odlewnictwie.: Multiaspect character of the man-computer relationship in a diagnostic-advisory system. Kluska-Nawarecka. Kluska-Nawarecka. Nawarecki. 1. Issue 2. S. Zdzisław S. Moskva: Rossijskij gosudarstvennyj gymanitarnyj universitet. several ontology-based Wiki platforms have been created. Mrzygłód.: Information-decision system aiding scientists and engineers: Lecture Notes in Information Sciences. E. They are justified by the relatively simple solutions that do not require a lot of time to assimilate.. OntoGRator – an intelligent access to heterogeneous knowledge sources about casting technology. Nawarecki. Instytut Oceanologii PAN [Polskiej Akademii Nauk]. 2004 t. 324-328. N. S. A few years ago. 2002.. . September 14–16. 98). last.. Pysz. Volume 7. Apple) and most popular social networking sites (Facebook. ISSN 1867-5662. Kluska-Nawarecka. cop. S. p. Kluska-Nawarecka... 4 nr 1– 2 s. INFOBAZY' 2002 – Bazy danych dla nauki: III [trzecia] krajowa konferencja naukowa: Gdańsk 24 czerwca–26 czerwca 2002 r. Połcik. a nie tylko po słowach kluczowych.: Knowledge management in casting industry processes. which were used as knowledge bases not only in IT-related companies.: materiały konferencji / Politechnika Gdańska.. S. Marcjan. ISGI 2005: International CODATA Symposium on Generalization and Information: Berlin. INFOBAZY’99. Document driven ontological engineering with applications in casting defects diagnostic. T. Nawarecki. S. S. 820/N-Czechy/2010/0 and 0R0B0008 01 REFERENCES Adrian. Human – computer systems interaction: backgrounds and applications 2. Kluska-Nawarecka.. 3. K. Polish Academy of Sciences. Nawarecki.. 2005. Regulski. RMES\^{Z}08: problemy upravleniâ bezopasnost'û sloznyh sistem: trudy 16 mezdunarodnoj konferencii: Mockva. Gdansk 1999.2007 vol. R.(Advances in Intelligent and Soft Computing .. Dobrowolski. the main problem associated with the implementation of similar techniques was little interest from serious investors.. Wójcik. G. Nawarecki. K. Among them.fm) successfully use their own semantic solutions. Kraków : Akademia Górniczo-Hutnicza w Krakowie. Dobrowolski. S. Rossijskaâ Akademiâ Nauk [et al.]. Bazy Danych dla nauki. Regulski. V. G. 2012. E.: Integration of the INFOCAST system databases by means of agent technology. S.. Sobczaka. 2 s.. pod red. Dobrowolski. Połcik. 35/2. Centrum Informatyczne TASK. R. S. Regulski. E. Horst Kremers. Kulikowski. Within the last few years. S. Wyszukiwanie semantyczne pozwoli rozwiązać trudności spotykane w systemach klasy Information Retrieval Systems związane z polisemią i synonimami. . a foundry plant could find its place without any major obstacles. . R. 2002. Marcjan.. 2009. ISSN 1641-8581 . mainly owing to the fact that they are based on commonly used technologies. (in Polish).. April-June. A. V. Górny. K. Decision No. Computer Methods in Materials Science : quarterly / Akademia Górniczo-Hutnicza. The role of knowledge engineering in modernisation of new metal processing technologies. Kluska-Nawarecka. Kluska-Nawarecka.: Application of description logic in the modelling of knowledge about the production of machine parts. S..: Baza znormalizowanych gatónków stopów odlewniczych.. Centrum Informatyczne TASK (in Polish).. I. 251–261.. R.INFORMATYKA W TECHNOLOGII MATERIAŁÓW olutions proposed in this article greatly improve the search process and data distribution. Germany. 2005. S. PLATFORMA SEMANTYCZNEJ INTEGRACJI I UDOSTĘPNIANIA WIEDZY TECHNOLOGICZNEJ Z ZAKRESU PRZETWÓRSTWA METALI I ODLEWNICTWA Streszczenie Artykuł prezentuje koncepcję platformy udostępniania wiedzy wykorzystującą w celach integracji model ontologiczny. As regards conversion into semantic knowledge. Kluska-Nawarecka. From pasive to active sources of data and knowledge: decentralised information-decision system to aid foundry technologies. many multinational companies driving development of information technology (Google. S. 148-151 (in Polish). 2012 Accepted: December 12.

A. Department of Physical Chemistry and Metallurgy of Non-Ferrous Metals al. The first stage of this technology is transformation of metal sulfides to oxides.edu.. Faculty of Non-Ferrous Metals. If the found production past case fulfills the requirements of the given quality criterion. Poland 2 AGH University of Science and Technology. During the roasting process. what is presented in (Sztangret et al. 30-059 Kraków. ŁUKASZ SZTANGRET1. Such approach is consistent with the core assumption of Case-Based Reasoning. 2011). Department of Applied Computer Science and Modelling al.4%. 2 INDUSTRIAL PROCESS CONTROL WITH CASE-BASED REASONING APPROACH JAN KUSIAK1. Presented in (Sztangret et al.. The paper presents preliminary results of the implementation of the CBR system to industrial control of the oxidizing roasting process of sulphide zinc concentrates. 2011) results of modelling of the oxidizing roasting process using artificial neural networks show usefulness of this apISSN 1641-8581 313 – 319 . namely that similar problems have similar solutions. case-based reasoning. the aim is to obtain a minimum content of sulphide sulfur in the composition of the product. INTRODUCTION Preparation of zinc form sulfide concentrates is currently realized in the industry mainly through hydrometallurgical processes. The main idea of the system is processing of the production data in order to find some registered past cases of production that are similar to the present production period. 2013. and that is close to the observed output of the modelled object. A. The oxidizing roasting process was modeled using artificial neural networks. PIOTR JAROSZ2 AGH University of Science and Technology.COMPUTER METHODS IN MATERIALS SCIENCE Informatyka w Technologii Materia ł ów Publishing House AKAPIT Vol. 13. that are processed further in the sulfuric acid plant installation. The goal of the artificial neuron network is to generate the proper output signal that depends on the input signals. GABRIEL ROJEK1*.6% and 0. As the result of roasting of zinc sulfide concentrates in the fluidizedbed furnace zinc oxide (ZnO) is obtained in two fractions: fine and thicker dust of maximum content of sulphide sulfur content 0. Mickiewicza 30. Poland *Corresponding author: rojek@agh. 30-059 Kraków.pl Abstract The goal of presented work is an attempt to design an industrial control system that uses the production data registered in the past during the regular production cycle. This model is based on artificial neural networks (ANN). Mickiewicza 30. which is called the roasting process and is carried out in fluidized bed furnaces. oxidizing roasting process of sulphide zinc concentrates. By production of the roasting of sulphide concentrates of zinc heat and gases are obtained. No. From a point of view of optimization the oxidizing roasting process is nonlinear and multidimensional process. Faculty of Metals Engineering and Industrial Computer Science. multi-agent system 1 1. the registered control signals corresponding to that case are considered as the pattern for the actual control. Key words: industrial process control.

1994): 1. a past case relevant to present problem has to be selected in the case-base and next this selected case has to be adopted to current situation. retrieve process is to find k-nearest-neighbor considering a specific similarity measure. should be compared and referred to other approaches to process control. The retain process at the CBR cycle concerns learning by retaining of current experience. The retaining of made experiences enables incremental. A decision system with CBR approach uses the case-base. 1994). recommender system in e-commerce. design. 2009).. As a result of the retain process a CBR system gains new experience due to and together COMPUTER METHODS IN MATERIALS SCIENCE – 314 – . what usually occurs by simply adding the revised case to the case base. Main task in the first. especially used together with evolutionary techniques in order to optimize the industrial process control. Thanks to this adding. The similarity measure can be inverse Euclidean or Hamming distance or can be specific modeled according the knowledge of the domain. which is collection of past made and stored experience items. called past cases. This task is usually performed outside the CBR system and makes necessary to link the CBR system with the real world domain. Other application areas of CBR approach are help-desk and customer service. which concerns the solved problem. Every time a new problem is solved. (2) reuse the past method that constructed the solution. music). a new experience is retained in order to be available for future reasoning concerning future problem situation. Fault repair involves detecting of errors of the current solution and using failure explanation to modify the solution in a way to improve it in a way errors do not to occur. When one or several similar cases are selected in the retrieved process. sustained learning. Revise the proposed solution 4. planning and human entertainement (computer games. medical applications. An example of implementation of CBR approach is optimization of autoclave loading for heat treatment of composite materials. Retain the parts of this experience in order to use it for future problem solving The CBR cycle starts when there is a new problem to be solved. technical diagnosis. The main point of technically different known CBR systems is the CBR cycle. where airplain parts are treated in order to get the right properties (Aamodt & Plaza. however there are domains. currently solved problem. The similarity measure should induce a preference order in the case base taking into account the new. 1994). 2012b) Case-based reasoning (CBR) seems as one of possible techniques. This system uses relevant earlier situations in order to give advise for the current load. the solution contained in these cases is reused to solve the current problem.INFORMATYKA W TECHNOLOGII MATERIAŁÓW proach. what can happen by asking a teacher or performing the task in the real world. At the revise process the solution generated at the reuse process is evaluated and in the case of undesired evaluation there is possibility to repair the case solution using domain-specific knowledge. as presented in (Aamodt & Plaza. what takes place at the reuse process. applications in image processing. CASE-BASED REASONING The main paradigm of case-based reasoning (CBR) is reasoning by reusing of previous similar situations by solving a current problem. instead of using any general knowledge of a problem domain. knowledge and experience management. however due to the complex nature of the modeled process. Retrieve the most similar case or cases 2. or cases. Every time a new problem is solved. There are two main ways to adapt retrieved past cases to the current problem: (1) transform the past case. As it is presented in (Rojek & Kusiak. Reuse the information and knowledge in that case in order to solve the problem 3. 2. The preference order should enable to select one or a small number of cases. that can be used at industrial control. The CBR cycle is common algorithm of every CBR application and consists of 4 sequential processes (or phases) (Aamodt & Plaza. which require adaptation of solution. From the general point of view the CBR approach is relaying on experienced made in the past during solving of concrete problem situations. This phase can consist of two tasks: evaluation of solution and fault repair. Presented here research concerns analysis and implementation of CBR approach to control of the industrial process of the oxidizing roasting process. as it is presented in (Bergmann et al. This process can be very simple. applications in law. which are relevant for the new case. when the solution is returned unchanged as the proposed solution for the current case. the revised solution becomes available for reuse at future problem solving. The evaluation task uses the results from applying of the suggested solution to the real environment.

Reassuming. In domain of presented industrial process it is possible to use past data related to manual control done in the past. (2) dependent signals – measured only signals. which concerns similar problem to the current problem and contained in this case solution is evaluated as desirable. . Controllable signals are set with the equal frequency to the frequency of dependent signals measure. The problem is specified by measured independent signals (chemical composition of the input concentrate). A case in the domain of industrial control The fundamental problem having the goal to design a CBR system for any domain of its use is defining. a case is the data structure. that influence the nature of the process e. Every CBR system needs a knowledge represented in the case-base in order to propose solution for current problem.  Solution – the description of used control function in the form of values of dependent and controllable signals registered during considered production day. The control function takes as the input values of dependent signals and results in values of controllable signals. Because the chemical composition of the input concentrate is known only ones per a production day (at the beginning of a day) it is assumed that the whole day of production should be controlled in the same manner – using one single control function. All input signals of this process can be divided into three main groups: (1) independent signals – chemical composition of the input zinc sulphide concentrate. Considering the oxidizing roasting process of sulphide zinc concentrates it is possible to state. After the end of production day an 3. and (3) controllable signals – signals that can be set e. so the control function can be described by dependent and controllable signals registered during past production. The solution is.1. in other words. A case relates to one single problem solved by a CBR system.  Evaluation – average quality measure in the form of average concentration of sulphide sulphur in the products made during considered production day. From the general point of view a case represents one day of production. air pressure after blower. that the solved problem can be presented in the form of question: how to control the process knowing independent signals (chemical composition of the input concentrate) in order to obtain minimal concentration of sulphide sulphur in the made products.g. Such case-base should enable for designed system to imitate the manual control considering quality results which were obtained during different production days. Fe and S in the input concentrate) are measured only once per day.2. The goal of control of this process is to achieve the minimal concentration of sulphide sulphur in the roasted products. DESIGN OF THE CBR SYSTEM FOR CONTROL OF INDUSTRIAL PROCESS The implementation of the CBR approach to the industrial process control is illustrated with example of the oxidizing roasting process of sulphide zinc concentrates as an example of typical industrial process. Pb. 3. what is a case. the control function used to production characterized by specified independent signals. Similar previous solved problems to the current one are cases representing past production days with similar values of measured independent signals (what means similar com- – 315 – COMPUTER METHODS IN MATERIALS SCIENCE average quality measure is known. The evaluation is represented by the average measure of concentration of sulphide sulphur in the made products during the period of using the control function specified at the solution. This control function should take into consideration values of measured dependent signals and on this basis propose values of controllable signals. This concentration is measured several times a work day (e. 5 or7 times a day).g. but dependent signals are measured several time per minute. what enables to evaluate the production characterized by measured values of independent signals and used control function (in the form of dependent signals and controllable signals). that consist of:  Problem – single values of independent signals for the whole considered production day. The quality criterion is minimal concentration of sulphide sulphur in the roasted products. All independent signals (concentration of Zn.g. The retrieve phase In the domain of control of presented industrial process the main goal of the retrieve phase is to find a past case. Presented above discussion lets to define a case as the triple problem-solution-evaluation.INFORMATYKA W TECHNOLOGII MATERIAŁÓW with regular solving of current problems. temperature inside the furnace. In some domains of applications continuous increase of the case base cause by the retain process causes continuous decrease of efficiency of the retrieve phase. 3.

3. Wooldridge. The prepared model of control function should be used at solving of the current problem. It is assumed. It is proposed to choose first a small number of past cases representing similar problems (using k-nearest neighbor algorithm) and next to select among them only one that has best evaluation. the control function used at the selected case has to be approximated and next has to be used in the control of present case of production. This evaluation has to be made outside computer system and is usually equivalent of quality measure (made by human). 2001). Choose a number of previous cases from the case base with the highest similarity rate. 2. that one Past Episode Agents represents one past case. what enables the currently ended present case to be available for reuse in future problem solving process. The revise phase The retain phase enables learning in the CBR cycle. In the case of industrial control of the oxidizing roasting process of sulphide zinc concentrates the quality measure is done after production time. Two main types of agents are functioning in the system:  the Past Episode Agent. 3. The reuse phase that is solved. An artificial neuron nets can be used by modeling and using of control function.INFORMATYKA W TECHNOLOGII MATERIAŁÓW position of input materials).5. During the second step all values of dependent and controllable signals should be saved in order to be used during the retain phase. The retain phase COMPUTER METHODS IN MATERIALS SCIENCE In the reuse phase the solution represented by the selected past case in the previous phase should be applied to the current problem. what can be done in two steps: 1. The Past Episode Agent can receive messages concerning represented past case and answer to such questions providing information – 316 – .  the Control Agent. IMPLEMENTATION OF THE CBR SYSTEM 4. when the current problem was solved and the evaluation of this solution is known. that is control of the industrial process. that is measured as the Euclidean distance between values of independent signals measured for the current problem and the solved problems represented by the previous cases. In the first step the artificial neuron net has to be learned with values of dependent and controllable signals that are contained in the selected past case. Having goal to reuse the solution represented by the selected case. In the retain phase the current case is just add to the case base and becomes one of past cases representing experience items concerning control of the industrial process. In the second step the learned net has to be used in order to predict values of controllable signals on the base of presently measured dependent signals. what can happen in two steps: 1. which was presented among others in (Weiss. which is evaluated with the most desirable average value of quality measure. 3. which performs the CBR operations concerning resolving solution for control of the present production period. 4. The current case contains already the description of the problem.4. The past case contains description of solution in the form of dependent values and values of controllable signals. This phase starts. description of the applied solution in the form of values of dependent and controllable signals saved during reuse phase and the evaluation in the form of average value of quality measure. the number of Past Episode Agents is equal to the number of past cases contained in case-base. A model of the control function relevant for the selected past case should be prepared with the use of values of dependent and controllable signals. 2. The complete functioning of the CBR system is partitioned into individual agents. Select among chosen cases only one. Due to the fact.1. so it is not possible any fault repair process concerning present production period. 3. The feedback in the case of industrial control domain is in the form of evaluations of real products made during current period of production. 1999. Control of oxidizing roasting process The revise phase assures feedback of the applied in the reuse phase solution into the current problem Presented above analysis concerning CBR system in the domain of industrial control of the oxidizing roasting process of sulphide zinc concentrates is implemented using agent technology. that controllable signals are function (named control function) of dependent values. which represents one past case.

The solution represented in the relevant case is just taken directly as the final control decision. 7 neurons..3).2). 2008) very shortly. that are successively resolved and stored in order to be used in future. that is solution for control of the present production period. The Control Agent performs CBR operations. composed of the measurements of the roasting process and the resulting concentration. The number of past cases is changing due to new problems. usually the best member of the swarm. as it was proposed. The used ANN first should be trained in order to predict the concentration. as presented in subsection 3. Presented in section 3 work concerns a case as a whole day of production. that represent the most similar production periods concerning independent signals. In the retrieve phase similar past cases to the current one are searched with the same method. The reuse phase is much simpler due to the fact. 2008) application are related to definition of representation of a case. solution or evaluation represented by the past case. case-base and all phases of implemented CBR phases. ARTIFICIAL NEURAL NETWORK BASED CONTROL SYSTEM Other approach to control of an industrial process uses a model and a optimization procedure (figure 1). 2012b). particle swarm optimization (PSO) is used. which require the real evaluation of proposed solution. that is contained in case-base. Rojek & Kusiak. The main problem that we were faced by implementation of the software concerns the revise and retain phase. insects or fish shoal looking for food or shelter. that appear by implementation of CBR systems. The CBR methodology relays on using of information. that represent. After the ANN was trained.g. Lack of evolution. as in previous works concerning industrial control presented in (Rojek et al. This evaluation would be not a problem. This transformation maintains natural decomposition of problem through use of the agent technology.2 (k-nearest neighbor algorithm and the Euclidean distance). 13. second from those five selected only one is chosen. was not a handicap at implementation of the presented system. that is just set of distributed cases concerning past situations. what is similar to research presented in subsections 3. neuron nets) in order to obtain temporary control decisions. Due to mentioned problem with evaluation of made products under control of presented system. For this step supervised learning method is used. the artificial neural network is used as a model for prediction of concentration of sulphide sulphur in roasted ore. that cases are evaluated later and added to case-base for future problem solving.2. Combustion control of blast furnace stoves Presented in (Sun. the swarm is consid- . Main problems of shown in (Sun. 5. This neural network is a multilayered perceptron composed of neurons with sigmoid function. one case. when implemented system will be really a control system for the real control system. that is relevant for the current production period. 2008) implementation of the CBR methodology to control of combustion control of blast furnace stoves seems analogous to presented above work. however. The goal of optimization is to obtain values of control signals which provide minimal concentration of sulphide sulphur in a roasted ore. Implementing this approach to the considered oxidizing roasting process. that a case represents only one moment of time. it can be used as the model. As a optimization method. the revise and the retain phases are not implemented. In the retrieve phase this agent finds one past case.INFORMATYKA W TECHNOLOGII MATERIAŁÓW – 317 – COMPUTER METHODS IN MATERIALS SCIENCE concerning description of problem. 11.5. It is assumed. PSO method is inspired by the behaviour of swarms of birds. that aim to control of oxidizing roasting process. In the algorithm based on this behaviour. 4. This selection is made by agents communicating in the system: first 5 Past Episode Agents are selected. Using of agent technology allows to overcome many development problems. By implementation of the presented system JAVA and JADE (framework for agent systems) are used. 2011. that represents the best evaluated production (as presented in subsection 3. In the reused phase the Control Agent uses an artificial neural network (as presented in subsection 3. Such constriction of case-base can be simple transferred to multiple agents. The elaborated ANN model is based on the architecture of MultiLayer Perceptron (MLP).4-3. Every member of the swarm searches in its neighbourhood but also follow the others. The revise and retain phase are presented in (Sun. By the modeling step a supervised learning is used with usage of data represented by the selected in previous phase case. The dataset used at training contains records. what induces using approximation methods (e. which is used by a optimization procedure. All neurons are located in 4 layers composed of 9.

Fig. G.. 2009. 2012a.110. Ł. Sztangret. vol. 1. CONCLUSIONS Case-base reasoning approach enables to make decision in the case of unknown model of domain of implementation. 2008. USA.. 12.. Hong Kong. 1994. 297-302. Such CBR system will not only use its experience. REFERENCES Aamodt. Plaza. Scheme of control system using an ANN model and a optimization method. All that decision have to relate to the real industrial process. eds. The experience is in the form of case-base. 2011.. MIT Press Cambridge. Introduction to Multiagent Systems. Computer Methods in Materials Science. J. Bio-inspired optimization strategies in control of copper flash smelting process. Computer Methods in Materials Science. L. S. Bergmann.. the revise and retain phases will be possible to realize and finally it will be possible to close the CBR cycle. K. 2011. 9. I.. Rauch.. Rojek. AICom . 5-11. Sztangret.11. M.Artificial Intelligence Communications. and System Approaches. Ao. Sun. Future works should be oriented to implementation of CBR approach to real control of industrial process. Wooldridge.. Szeliga D. Głównym założeniem systemu jest przetwarzanie danych produkcyjnych w celu znalezienia zarejestrowanych przeszłych przypadków produkcji. Małecki S. Proc.. ICAISC 2012. Analiza wrażliwości jako metoda wspomagająca optymalizację parametrów procesów metalurgicznych. CBR Application in Combustion Control of Blast Furnace Stoves. Kusiak. Bach. Zakopane. Kusiak. 6. które są podobne do bieżącego okresu produkcji. 23. Jarosz. Kusiak. Agent-based information processing in a domain of the industrial process optimization. Industrial control system based on data processing. that is controlled. eds. New York. J. as it is presented as the main fea- COMPUTER METHODS IN MATERIALS SCIENCE STEROWANIE PROCESÓW PRZEMYSŁOWYCH Z PODEJŚCIEM OPARTYM NA WNIOSKOWANIU EPIZODYCZNYM Streszczenie Celem prezentowanej pracy jest próba zaprojektowania systemu sterowania przemysłowego. Acknowledgment. 502-510. IMECS 2008. Inc. Rutkowski. Proc. Rojek. A. J. simultaneously is gaining its experience by adding current problems and its solutions to the case base. work of such complete system can be analogous to work of an worker.. 11. that is information of previous made decisions. Computer Methods in Materials Science.. 2010)... Kusiak. K.. I.. R. 400–408. Minor.. Hutnik – Wiadomości Hutnicze. E. Jeśli znaleziona w bazie przeszłych – 318 – .INFORMATYKA W TECHNOLOGII MATERIAŁÓW ered as particles representing single solutions. Sztangret Ł. but also will gain experience. ture of Case-base reasoning. Each particle is characterized by its own position and the velocity. Kunstliche Intelligenz: Special Issue on Case-Based Reasoning.. Conf.. 2009) and (Sztangret et al. P.. 721-725 (in Polish). submitted and accepted to Computer Methods in Material Science.. Case-Based Reasoning: Foundational Issues. 25-28. Multiagent Systems: A Modern Approach to Distributed Artificial Intelligence. Ł.. Case-Based Reasoning – Introduction and Recent Developments. John Wiley & Sons. construction of case-base and development of the whole CBR cycle. The CBR system uses experience. 2009. The CBR system together with solving problems. Case-Based Reasoning Approach to Control of Industrial Processes. that gains and uses experience according to made decisions. Conf. Only such implementation will enable to obtain real evaluation of made decisions according to control of production. 7. More accurate description of this method can be found in (Sztangret et al.... Rojek. M. Reichle. J. Financial assistance of the MNiSzW (Działalność statutowa AGH nr 11. 2012b.. M. which is used at currently solved problems. 39-59. Althoff. G.. Kusiak J. that it is possible to implement the CBR methodology to the domain of control of industrial process.. if those decision bring desirable results. 2001. Presented in this article research shows. 2010.. Such implementation involves many design decisions according to representation of a case. 122-127. Kusiak. Stanisławczyk. J. który w trakcie bieżącego cyklu produkcyjnego wykorzystuje zarejestrowane w przeszłości dane produkcyjne. G. A.. The decision is made on the basis of previous made decisions. USA. If the evaluation of control made by CBR system will be known. Ł. From general point of view... Weiss. J. G. Sztangret. 1999. D.. Ł. Modelling of the oxidizing roasting process of sulphide zinc concentrates using the artificial neural networks.085). 11. Particles move through decision space and remember the best position they ever had. Methodological Variations..

Received: December 4. którym jest proces utleniającego prażenia koncentratów siarczkowych cynku. zarejestrowane wartości sygnałów sterujących. którym jest stwierdzenie.INFORMATYKA W TECHNOLOGII MATERIAŁÓW przypadków produkcja spełnia wymagania danego kryterium jakości. 2012 – 319 – COMPUTER METHODS IN MATERIALS SCIENCE . uważane są za wzór dla bieżącego sterowania. 2012 Received in a revised form: December 18. Takie podejście jest zgodne z podstawowym założeniem wnioskowania epizodycznego (ang. które odpowiadają znalezionemu przypadku. W pracy przedstawiono wstępne wyniki wdrożenia systemu CBR do sterowania procesu przemysłowego. CaseBased Reasoning). że podobne problemy mają podobne rozwiązania. 2012 Accepted: December 28.

knowledge base. CHARACTERISTICS OF THE RESEARCH WORK The inference and the development of control models proceeds in several steps and is an iterative process where specialists perform the role of experts.edu. the selection of variables and identifying domain of attributes is described. 30-059 Krakow.1. Mickiewicza 30. 35. decision support.pl Abstract A case study of rule knowledge base on developing stress relaxation in welded components is presented in the paper.. Hetmańska 120. This process also requires a collaboration of experts from various areas of expertise not only from manufacturing. Various materials. computer science.  a variable domain is determined. but also on the stage when  variables of a process are selected. RAFAŁ PUC2 AGH University of Science and Technology.  inference rules are proposed.COMPUTER METHODS IN MATERIALS SCIENCE Informatyka w Technologii Materia ł ów Publishing House AKAPIT Vol. and finally during model evaluation. JACEK ROŃDA1. 13. Inconel 718 and Steel 410 are considered in the numerical simulation of welding and heat treatment processes for manufacturing of turbine engine. Key words: rule-based system. Cracow. welding 1 1. DANUTA SZELIGA1. Literature review The knowledge base for the assessment of weldment integrity can be based on the measurement ISSN 1641-8581 320 – 325 . formalization of knowledge. stress-relief annealing. The design of the model requires the determination of a model scope. not only at the stage when the model is defined. Poland.agh. The procedure of simplified decision support model formulation – including expert knowledge externalization. The result of the work is a set of rules constituting a simplified model to predict the stress relaxation parameters of stress-relief annealing applied to welded components of PZL-10W helicopter engine produced by WSK Rzeszów. the decision criterions and appropriate selection of independent variables. 2. ANDRZEJ KUŹNIAR2. An inference stress relaxation model is developed in collaboration with welding experts from WSK Rzeszow. The aim of this research is to propose a set of control rules aiming at decreasing the stress in welded components on the basis of WSK Rzeszow spe- cialists’ technology knowledge. Poland *Corresponding author: regulski@tempus. Poland 2 WSK "PZL . Developed application can be implemented in one of the reasoning system shells. No. 2005).metal. such as: Inconel 625.045. but also with the knowledge engineering.Rzeszów" S. A decision tree was used to support creating and visualizing of the model. etc. 2013. 2 RULE-BASED SIMPLIFIED PROCEDURE FOR MODELING OF STRESS RELAXATION KRZYSZTOF REGULSKI1*.A. (Rutkowski. SOURCES OF TECHNOLOGICAL KNOWLEDGE UTILIZED IN THE MODEL DEVELOPMENT 2. Rzeszów.

a repaired element must be rewelded. heating rate. Each of the engine elements has the exact specification in the manufacturing process output. Mrzygłód & Regulski. Following that. Thermal annealing reduces the yield strength at elevated temperatures that results in the occurrence of plastic deformation in areas. – 321 – COMPUTER METHODS IN MATERIALS SCIENCE . Nawarecki et al.INFORMATYKA W TECHNOLOGII MATERIAŁÓW of residual stress and density of micro-cracks. i. Heat treatment of turbine engine case is carried out after welding. Annealing the single parts of a case and components is carried out in a furnace with a fixture for maintaining shape and dimensions of elements in the risk of deformation due to thermal dilatation. Some depreciation of this vacuum state is permissible during the process. 2.  The diagnostic model: determining the causes of defects in the process of heat treatment. Securing of required level of a vacuum. industrial practice and observations recorded by technologists that can be collected together and formally coded in the form of data bases. where the second invariant of internal stresses exceeds a local yield limit. There are several variants of such study based on:  The prediction model: determining the quality of the residual stress after heat treatment on the basis of welding. Two of the standards: American (AMS) and international (ISO) are generally available. annealing temperature and cooling rate. 2012. Finally authors followed the fourth option. 2007.. The manufacturing knowledge base available in the WSK Rzeszow existing in non-formal documentations. Kluska-Nawarecka & Regulski. complexity of the shape and size of a product. Continuous heating of a chamber to the annealing temperature and maintenance of this temperature for a specified period. Szeliga et al. 2012. Issues related to the relaxation of stress after welding has been discussed in numerous publications. 2012)..3. Stress relief annealing leads to some stress relaxation and also can restore ductility in brittle zones. 2007. 2011. Knowledge base and experience of executive team  The decision-making control model: determination of heat treatment parameters on the basis of the workpiece. The first step in developing a decision making support system is to determine the inference object. so called inference objects.2. Cooling a furnace with a specific rate up to the minimum temperature and further cooling a case up to the ambient temperature.g. Internal procedures and standards Authors’ preliminary knowledge in the area of rule system implementation is priceless in the preparatory phase of a research project (KluskaNawarecka et al. It may also be used during engine overhaul when a case is repaired by welding. decision tables. 2. The same device is use in a case maintenance procedure. The most important parameters of stress-relief annealing are: an alloy composition. The annealing temperature lowering could lead to insufficient stress relaxation. Heating of a furnace to a required temperature. e. Those confidential specifications are available for the study but the knowledge base and decision making models derived from that specification are still the property of the WSK Rzeszów. after literature study and discussions with engineers from WSK Rzeszów the major tasks were defined and the objectives were identified with selection of decision making criterions and appropriate variables. annealing parameters and workpiece data. During the problem formulation. Typical heat treatment of a case consists of a vacuum annealing conducted following the procedure: 1. 2009. 4. 3. but inner specifications are confidential. and Pilarczyk (1983). decision making control model.. A stress-relief annealing is the most common method for removing internal stress. When the control procedure shows that weld cracks exceed security limits. by Tasak (2008). Increasing the annealing temperature reduces the limits of yield and the strength of steel. Rules supporting a decision making process will be identified as the data base motor. 2. That situation is usually preferred in the case of stress-relieving elements that are required to have good strength properties. The specifications are established according to materials treatment standards. Kluska-Nawarecka et al. decision trees and the rules are presented here without confidential details.  The decision support model: determination of heat treatment parameters on the basis of the expected properties of the material after annealing process. Szeliga.e..

Moreover.  number of stops during the heating period for a supply of argon. The objective of coding is to represent a production engineering knowledge in such a way that it can be implemented into the inference process.2. Variables can be selected according to the future application. i.INFORMATYKA W TECHNOLOGII MATERIAŁÓW 2. An attachment and detachment in a strengthening should be easy and unambiguous.  necessity of fixture usage during stress-relief annealing. In this model some of variables could appear both as a result of conclusion or a ra- One of steps of complete decision-making model is to answer the question related to maintenance of a work piece shape. HT. variables in rules for concluding. and there is high risk of deflection then to secure the shape within strictly prescribed tolerances a strengthening fixation must be used. Dimensional tolerances and geometrical tolerances are controlled after heat treatment. other sources of the knowledge play only auxiliary functions.e. Such information is already included among others in the variable COMPUTER METHODS IN MATERIALS SCIENCE – 322 – . Diameters of a workpiece are considered together with dimensional tolerances and shape requirements such as flatness and roundness. the introduced formalism should be clearly understood by a production engineer who can evaluate and verify the knowledge. because mass of a fixture.g. decision tables. The base surface is often the outer cylindrical surface and a cylinder base. When such operations are final. Variables consisting so called decision table does not distinguish between types of support surfaces. Non-formalized knowledge based on industrial experience is called by managers „tacit knowledge” and the know-how. which ranges to several kilograms. Usually. such as straightening operation for bars and tubes or spinning for the cylindrical parts. Production engineering experts may selected the following variables in the decision making process:  specification of materials. A domain of each parameter/variable is determined as a field attribute. In the later stages of the work. determining which of them will be used in relations and which will be evaluated in the inference process.4. The final heat treatment process is marked by the acronym. and rules of inference. KNOWLEDGE CODING FOR RULEBASED EXPERT SYSTEMS The knowledge coding is the next step in the design process of the control model for welding. Selection of inference parameters tionale. The number of variables can be proposed. Several methods were used to perform that process by developing the following objects: decision trees. regardless of whether they will be used or not in the final model. it is impossible to develop a control model and propose rules of inference. Without the knowledge of the practical aspects of decisionmaking in an industrial environment. Some parts could be supported simultaneously on various surfaces. 3. whether the fixture usage is necessary during a heat treatment? This decision is important from economical point of view. 3. To develop the control model of stress relaxation.e. those are outer surfaces of a workpiece. the oven to reach the same annealing temperature must be heated longer than for the case of heat treatment without such device. To eliminate thermal deflection after a heat treatment various repair operations are used. without familiarity with the most common dilemmas emerging technology. A production engineer is making a decision on which surfaces a fixture should applied. Decision making tables The first step in the design of the decision making system is the identification of parameters i. absorbs heat and therefore. cylindrical or flat. the knowledge of production engineers were codified following a cycle of interviews and the model assessment. 3.1. WSK base of knowledge The information available from production engineers appointed by WSK Rzeszów is valuable source of knowledge for the development of process control model.  heating rate. A fixture strengthening a workpiece should be used for flexible parts. For example: a variable specification can be a result of conclusion of the inference in the first phase and later may appear as a variable in further rules. e. The cycle was repeated several times that helps in avoiding modeling errors and identification of decision rules. The major task of the engineer of knowledge is the externalization of the experience of experts.

INFORMATYKA W TECHNOLOGII MATERIAŁÓW named: "deformations". 3. For example. results of such acquiloose tight loose tight sition are gathered collectively YES NO YES YES NO YES in the decision-making table. as in this particular scenario the information on thermal deflections is redundant. Rules of inference Inference control rules can be generated on the basis of a decision tree. This redundancy will be eliminated following the future process analysis. Possible scenarios: TREATING STAGE TOLERANCES OF SUPPORTING SURFACES ANTICIPATED DEFORMATIONS Use of stress-relief annealing apparatus source: own study The process of knowledge acquisition from experts is much more laborious than it would 1 2 3 4 5 6 appear following this study. These rules are shortened to include only the necessary conditions for achieving an inference. the value of the parameter 'specifications' is presented only by the appropriate acronym or symbol (see figure 1). The rationales for each decision making should be described for each manufacturing process scenario. shown as the table 1. IF specification = “625” AND heating_speed = “8°C/min” AND exploitation_treatement = TRUE THEN number_of_stops = 2 This rule can be avoided. For NO NO YES YES NO YES the sake of simplicity.3. internal final However. assigns a number of decision rules to the heat process scenarios. 3. Construction of decision trees Table 1. The decision table showing a requirement for a strengthening fixation during stress-relief annealing. To describe the idea of the decision tree only a small portion of a full model is presented here only for Steel 410.4. because a decision is made on the based on the information about the heat treatment stage and appropriate tolerances. Since the whole tree exceeds one page and the information is confidential. The decision table. this parameter could be omit– 323 – COMPUTER METHODS IN MATERIALS SCIENCE IF material = “Inconel 718” ing_stage = “final” AND treat- . It can be read as follows:  scenario 1 – when a heat treatment is in interoperation stage and tolerances of the supporting surface are loose. and a deflection may could exceed a tolerance. Therefore. 1. A part of the decision tree to determine the heat treatment parameters on the basis of a workpiece-decision-making control model. the authors decide to omit a number of steps leading to the refinement of relations and inference rules. then a strengthening fixation must be applied. ted. selected few rules are the following: THEN specification = “Inc718a” IF treating_stage = “final” AND tolerance = “tight” AND deformation = “significant” THEN apparatus = “yes” IF specification = “Inc718a” AND heating_speed = “6°C/min” THEN number_of_stops = 0 Fig. The entire decision tree makes depicts rules in a comprehensive manner.

Archives of Foundry Engineering. AGH— ISBN 978-83-932904-0-6. — Kraków. For further application... Stawowy A. 3. Wrona R.. K. Macioł A. and number of breaks application of an argon dose. Those rules are also ready to be implemented in one of expert system shells. Acknowledgements. titled SPAW no.. The system was developed in the Department of Applied Computer Science of the Faculty of Management AGH in Krakow. Stawowy A.INFORMATYKA W TECHNOLOGII MATERIAŁÓW Using this type of rules production engineer can decide about indicated variables such as: specification of materials. S. heating speed and number of stops.. The mayor result of this paper is an attempt to codification of previously informal expert knowledge and a proposition of inference rules.. 7. Adrian. Regulski.. 169-172.. System acts as expert system shell. Macioł P. Knowledge management in material technology support systems.. decision tree.. Marcjan.. Puka R.. Macioł A. Madej Ł. ZPB/33/63903/IT2/10 . eds. 2007. Jędrusik S. The dialogue can be advanced as follows: MODEL: What kind of parts made of? USER: Steel 410 MODEL: Treating stage is final or internal? USER: Final MODEL-CONCLUSION: You should use Specification of parameters sign Spec410a MODEL: Is tolerance of dimensions tight or loose? USER: Loose MODEL: Is the risk of deformation significant? USER: Yes MODEL-CONCLUSION: You should use elements geometry sustaining apparatus during stress-relief annealing MODEL-CONCLUSION: You should apply heat rate at 6 celsius degrees per minute MODEL-CONCLUSION: You should plan 1 stop for argon application a material are the COMPUTER METHODS IN MATERIALS SCIENCE 4. Paradowska W. Paliński A.. APPLICATION OF KNOWLEDGE MODEL Presented in the paper rules was implemented in the system ReBIT (Banet et al... The role of knowledge engineering in modernisation of new metal processing technologies. Knowledge base consists on several dozens of variables and tens of rules. Duda J.g. Rębiasz B. REFERENCES Banet E. Developed knowledge base is a functional model of stress relaxation control.2010-06-01. Kluska-Nawarecka. Set of such rules would be used in future by process engineers for supporting decisions for the design of stress-relief annealing. Baster B. Śliwa Z. Example of use case parameters of stress-relief annealing). Jankowski R. A. Prob- Reading a decision tree or applying some rules of inference in a daily routine can be presented in a form of dialogue with a user. S. and control rules of inference. This research was carried on within the research project of NCBiR. The model was sent to the WSK Rzeszow for evaluation. stress relaxation after welding of engine case and its components.. R. SUMMARY The task was performed with the following works:  acquisition of the knowledge from the best practice of production engineering in WSK regarding e...5. Kluska-Nawarecka. heating rate. 2007. 2011... The final step of an “expert” system development consists of the derivation of rules for the control of a stress relaxation process. The whole system with developed knowledge base was successfully implemented in WSK Rzeszów.. a requirement for a strengthening fixation.. Decision variables are constructed from: specification (which is a set of 16 – 324 – .. Business rules management : perspectives for application in technology management. utilization of strengthening fixture during annealing..  codification and implementation of manufacturing know-how in a decision table. Research team decided to apply forward inference. It implements an engine of inference and give an opportunity of developing a knowledge base.. Nowak J. the presented scheme should be implemented in one of inference systems. ReBIT is the Business Rules Management Systems which combines the capabilities of the rule-based decision support system with the expressiveness available in algorithmic programming languages. 5. Gaweł B.  codification of the expert knowledge on the present-day process experience and ways for decisions of heat treatment parameters for selected materials and components. 2011). Pilch A.

Design of the continuous annealing process for multiphase steel strips. Górny. K. 11. 2012 – 325 – COMPUTER METHODS IN MATERIALS SCIENCE . Sobczak J.. (in Polish). Regulski. Pietrzyk. Regulski. ed.. Methods and techniques of artificial intelligence. Mrzygłód. Opisana jest procedura powstawania uproszczonego modelu wspomagającego podejmowanie decyzji – obejmująca eksternalizację wiedzy ekspertów. Hutnik Wiadomości Hutnicze. Wydawnictwo: Naukowo – Techniczne. Received: September 20. Advances in Intelligent and Soft Computing....3. Szeliga. (in Polish).— 251– 261. M. który na podstawie wartości kilku zmiennych zdefiniowanych przez użytkownika określa parametry procesu wyżarzania odprężającego stosowanego w WSK Rzeszów do produkcji części składowych silników śmigłowcowych PZL-10W. Jako narzędzie wspomagające proces tworzenia i wizualizacji modelu wykorzystano także drzewo decyzyjne. 21st International Conference on Metallurgy and Materials. 2009.. Wydawnictwo Naukowe PWN. Kuziak. 451–467. 2008. Pysz... 36. On-line expert system supporting casting processes in the area of diagnostics and decision-making adopted to new technologies. Wynikiem prac jest zestaw reguł stanowiący uproszczony model. Podvysotskyy. Multi-aspect character of the man-computer relationship in a diagnostic-advisory system. V. Z. 2012 Received in a revised form: November 4.. Rheological model of Cu based alloys accounting for the preheating prior to deformation. Application of description logic in the modelling of knowledge about the production of machine parts. Szeliga. 79. (in Polish). Rutkowski. K. E. K.. B. Model taki może być w przyszłości implementowany w systemach wnioskujących. S. D. 1983. vol.. D. Nawarecki.. Warszawa (in Polish). S. Archives of Civil and Mechanical Engineering. Tasak. Kluska-Nawarecka. R. 2012 Accepted: November 21. dobór zmiennych i określanie dziedzin atrybutów. S. Kluska-Nawarecka. (in Polish). 2011. UPROSZCZONA PROCEDURA MODELOWANIA RELAKSACJI NAPRĘŻEŃ OPARTA O SYSTEM REGUŁOWY Streszczenie Artykuł ma na celu przedstawienie studium przypadku tworzenia regułowej bazy wiedzy w zakresie relaksacji naprężeń powstających w elementach spawanych. 2012. L.. 2005. Kraków: Instytut Odlewnictwa. E. CD ROM.. Metalurgia spawania. 148–151. 73– 86.. Krakow (in Polish). J. 2012. Wydawnictwo: Biuro Ekspertyz i Doradztwa Technicznego "Techmateks". Pilarczyk. Brno. Innowacje w odlewnictwie. 2012. Warszawa.. Regulski. Poradnik inżyniera – Spawalnictwo..INFORMATYKA W TECHNOLOGII MATERIAŁÓW lems of Mechanical Engineering and Robotics. formalizację wiedzy.

and is used for two purposes: (i) to join together two parts of the sheet metal. 2013.pw. the rollin. No. (1996). Then. experimental analysis. Warsaw/Poland *Corresponding author: s. where different deformation mechanisms are operating. where one sheet fills a gap between the bent edges of another sheet. Yet. or folds and fissures. In this process. information was provided about the need to use machine vision systems to solve problems that occur in the process of hemming. mainly in terms of gaps existing between the rolled over edges of adjacent components. Further in the text. each stage of the hemming process can effectively eliminate or at least minimise the majority of defects caused by metal deformation. the mechanism of the hemming process is much more complex than it might be judged from the description of a pure bending process. the end part of the sheet rolled over to the inside onto itself forms an angle of 180 degrees with the remaining base part of the sheet. vision based measurement 1. the test sample image is recorded. Among the different vision systems available. 2 EXPERIMENTAL APPARATUS FOR SHEET METAL HEMMING ANALYSIS SŁAWOMIR ŚWIŁŁO Faculty of Production Engineering. the whole range of parameters governing the process of forming should be subject to very carefully monitoring.edu. a method using laser light scanning for reconstruction of the geometry of the examined hemmed sample was selected. For this reason.e. At the final stage of the process. a test stand designed for the practical implementation of a three-step hemming process was presented. remembering that it affects the final product quality. i. INTRODUCTION The subject of the paper relates to the proposed complex solution for quantitative and qualitative control of a three-step hemming process (figure 1). sheet metal hemming.COMPUTER METHODS IN MATERIALS SCIENCE Informatyka w Technologii Materia ł ów Publishing House AKAPIT Vol. and it is analysed next to obtain information about an outline of the deformed line. which consists in flanging. Finally. Warsaw University of Technology. 13. In the introduction. This process is applied in the final stage of the car body production.pl Abstract A new portable system for experimental investigation in the process of sheet metal hemming was developed. first.swillo@wip. An optical system for studies of the measurement technique and a method of image analysis used in the described example of the plastic forming process were presented. a portable measurement system for quality control of the hemmed surface edges was shown for the industrial application. Hemming is the sheet metal forming process. warp and recoil described by Livatyaliet ISSN 1641-8581 326 – 332 . and (ii) as a finishing operation by which the raw sheet edge is hidden inside the item shaped. a new method proposed by the author for the reconstruction of a 3D outline of the hemmed sample was disclosed along with a technique to calculate the value of strain on its surface. It is a well known fact that properly designed and performed. One of the example of the hemming process includes the door hinges. followed by pre-hemming and final hemming classified by Muderrisoglu et al. roll-out. Key words: strain analysis.

a comprehensive understanding of the process itself is necessary to which hitherto not much attention has been paid. Moreover. c) final-hemming. to achieve better insight into the forming process. and therefore has been used in the studies of a numerical modelling of the hemming process. the use of punch guides in the device allows precise control of the punch travel with the possibility to measure the clearance between the die and the punch. The forming elements include a die with an option allowing changes in the bending radius and a punch with an option allowing changes in the pre-hemming angle. This solution allows precise determination of the forming process parameters.INFORMATYKA W TECHNOLOGII MATERIAŁÓW et al. guide sleeves fixed in the top plate. To study the hemming process (curve surface and curve edge). Fig. Therefore. (2005 and 2006). 2. b) pre-hemming. and the geometry and surface quality obtainable in the operation of sheet metal hemming on the basis on research performed by Swillo et al. This can be achieved by improving the already existing techniques or developing the entirely new ones. the process run and data acquisition from the force sensor. (2000). EXPERIMENTAL APPARATUS A special column-like shaped device was designed and built to perform the hemming process. the process kinematics. The device consists of the following main parts: two columns fixed in the bottom plate. b) hemming tool. The studies will enable quick and accurate analysis of the process of hemming for any geometric and material-related parameters found in the selected segments of a car body. Figure 2b shows the measurement stand for the hemming tests equipped with two systems: a vision system for recording of Fig. to minimise errors occurring when the process of hemming is designed. an option has also been provided for the quick setup of the device (figure 2a). Experimental apparatus for hemming process: a) schematic of the designer apparatus. The concept of the device for the hemming process assumes an easy replacement of the forming elements. 2. the proposed method using a vision system will allow an immediate analysis of the finished product. In contrast to the timeconsuming and less accurate methods of assessment based on an optical system. The material used in the hemming test was aluminium sheet (A1050). Schematics of the three steps hemming process: a) flanging. a special hydraulic press (applied previously in stud– 327 – COMPUTER METHODS IN MATERIALS SCIENCE . and a forming tool. The ultimate goal is to determine experimentally the process limit parameters. Due to this it will be possible to evaluate the results of an inspection through comparison of model results with the experimental data generated by a specially developed vision system. and a displacement sensor. 1.

The use of these three parameters demands further development and implementation of advanced measurement techniques allowing for their full identification. METHODOLOGY OF HEMMING ANALYSIS Based on the industrial experience and numerous research results. Vision based measurement for hemming: a) schematics for the strain and geometry analysis.3D). The studies discussed above. 3. It should be remembered that all of the above indicated features directly affect the final evaluation of the product quality and functionality. and the geometry of the hemming process.1. (2005). Therefore. the final task of the running project Fig. (1999). This method COMPUTER METHODS IN MATERIALS SCIENCE – 328 – . All these parameters can be used in a comprehensive assessment of the hemming process quality referred to the structural parts of a car body design.. the aim of the project is to use all the three main parameters of the process.INFORMATYKA W TECHNOLOGII MATERIAŁÓW ies of the flat surface and straight edge. 3. The hemming test was carried out using a force measurement system in the form of an axial strain gauge mounted on the model press. and a number of other related works (Livatyali et al. Due to its high stiffness. The measurements were carried out in a Matlab/ Simulink environment that allows for block construction of the performed measurement tasks based on image processing and data acquisition originally proposed by Higham and Higham (2005). it becomes obvious that the final quality in the hemming process depends on a complex interaction between the material properties. the maximum pressure of 40kN and low punch operating speed during forming. b) stationary vision system. it enabled full control of the hemming force in function of the punch position. determined by the presence or absence of such defects as cracks or folds in the sheets. 3. by Świłło et al. Thus. In samples with a thickness of 1 mm. Therefore. presented by the author in this study.  quality of the shaped surface. geometry and process parameters. 2000 and Graf & Hosford. (2011. where the bending angle is between 20 to 180 degrees. large working space. is based on a previously proposed solution by Swillo et al. vices such as a feeler gauge. This statement leads to the conclusion that it is necessary to develop a vision system based on an advanced method of measurement and control of all process parameters. is a serious problem due to high localisation of the non-linear in nature distribution of deformation. The repeatability in such cases is unsatisfactory. co-called ALM (Angle Line Method).  change in the shaped product geometry. the press allowed obtaining similar forming conditions as the conditions used during industrial hemming of the sheet metal. and Chen et al. Used in combination with the displacement sensor attached to the press. the strain measurement algorithm. The methods used commonly in the industry to assess the quality of such products are either visual methods or methods using simple de- was to design and manufacture of a portable vision measurement system to allow inspection of the chosen three parameters. the selected method to measure deformation should be characterised by both high resolution and high accuracy with the ability to determine the deformation in different variations of the hemming process (the curved surface and the curved hemmed edge . Geometry and deformation measuremen The measurement of deformation in a bent sample. and thus indirectly the quality and functionality of the whole car. the maximum deformation will be concentrated in an area of the size of micrometres. as reported in many works on this subject. Consequently. 1994) clearly indicate the need to search for proper relationships between the product quality. that is:  deformation during forming. 2012) was used.

This inconsistency in the quality Fig. In addition. Strain measurement for hemming: a) direct results comparison using three results: circle. Strain measurement using this method involves the application of a simple pattern-line onto the examined object in the area of the expected deformation. Surface quality measurement Another parameter previously proposed by Swillo et al. Finally. For the specimen with the square pattern the grid shape is unrecognized. – 329 – COMPUTER METHODS IN MATERIALS SCIENCE . to identify the line. where the strain was measured in the hemmed sample in an area of 0. a numerical image processing is used. Next. 3. where the discretisation of measurements is imposed only because of the image resolution. Micro-crack formation measurement for the hemmed surface. (2006) is used to judge a surface quality for hemming process evaluation. Next a grid circle where several objects (ellipses) was recorded and analyzed. which in the case of the proposed method has no major restrictions on account of the pattern geometry used. 5. another advantage of ALM is its simplicity in use. Fig. Figure 3 shows in detail a schematics of the stationary measurement as well as real experimental equipment. an experimental study of grid pattern limitation is demonstrated on figure 4a. Then. (2011).6mm. the circle shape recognition by using image processing due to such deformations could be difficult to predict. The proposed method is based on an angled laser line examined element subjected to displacements. In particularly. The advantage of this method over the traditional techniques using different mesh geometry is the process of the measurement discretisation. involving a simple formula. b) grid pattern images for three methods of strain measurement. (2012) and Świłło (2012). grid and ALM. Świłło et al. so the strain calculation cannot be calculated (figure 4b). A selected circle shows strong grid defects (cracking) that make strain measurement for this case very difficult.2. as an extension of this method a new optical configuration has been proposed by Świłło et al. 4. The common practise of optimizing assessing of the hemming quality is based on human inspection of the exposed hemmed surfaces. could be easily recognized and analyzed in case of hemming strain measurement (figure 4b). which can be written with just any pen. In addition. a single line pattern with no visual defect such as broken parts. and the line should be applied at a certain angle. An example of this method in its practical embodiment has been described in detail in research performed by Świłło and Czyżewski (2011). while maximum deformation covered the area of a width not exceeding 50 m. allowing full automation of the strain determination technique. allow user simultaneously calculate geometry as well as deformation from a single CCD camera.INFORMATYKA W TECHNOLOGII MATERIAŁÓW allows a continuous strain determination in the examined sample.

the laser line generator is located on the top of the portable system rotated relative to the camera by a specifically selected angle. 1993). The portable vision system is applicable in the analysis of the surface edge hemming under production conditions. the cumulative length of micro-cracks is determined and referred to the number of these micro-cracks. we are able to analyze and characterize the hemming quality for any given material and COMPUTER METHODS IN MATERIALS SCIENCE – 330 – . 2004). To find a quantitative criterion of the surface deformation. This means that there has been the localisation of deformation. The occurrence of 4. In the hemming process. The first reported application of the vision method for fracture analysis was by McNeill et al. Since then many variations of this approach have been developed and implemented to determine crack length or displacement field in the region around the crack. Methodology for the measurement using hand-held vision system: a) schematics of the system.e. geometry reconstruction and strain measurement. In a perfectly run hemming process. All the three above described techniques have been implemented. surface inspection. using the portable vision system with data on the average length of micro-cracks and crack initiation conditions. PORTABLE MEASUREMENT SYSTEM As a final result of the research investigation in the area of the hemming process analysis. a portable. the average length of micro-cracks relevant to the described maximum has been adopted. in the developed technique of scanning along the edge of the inspected part.INFORMATYKA W TECHNOLOGII MATERIAŁÓW control methodology results in undesirable quality variation in the hemmed parts. conferring considerable roughness to this surface. eventually giving rise to the formation of local cracks. As a crack formation index. c) surface inspection. In practice. the surface remains smooth. there is a large strain concentration at the edge of the hemmed surface. it was necessary to propose an alternative route based on vision control. (Livatyali et al. Second. This method of elimination leads to a lack of regularity and repeatability in the process of product elimination. the commonly used method for the surface quality assessment is a visually adopted roughness reference level at which the product should be rejected. Therefore. 6. First. For that reason. i. b) profile and strain measurement. Many researchers used various non-optical measurement and image processing methods to study and describe fractures and cracking ( Epstein. hand-held vision-based measurement system has been developed (figure 6a). (1987). Figure 6b shows the result of profile calculation for an arbitrarily chosen location within hemmed surface.. which favours rather fusion of the micro-cracks already existing than the formation of new ones. and ultimately has an impact on the whole process of elimination. The size of the roughness is a function of the size of the deformation and changes gradually from the surface smooth to very rough. Fig. The proposed method of image analysis of the hemmed surface takes into account the deformation mechanism through statistical analysis of the microcrack formation (figure 5). local maximum in the graph proves that the maximum number of micro-cracks has been formed and their fusion has started taking place. a manual capturing of the images takes place to provide information on the hemmed surface shape. The lack of objectivity is a fundamental error.

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processing conditions. Figure 6c demonstrates the inspection measurement technique for micro-crack evaluation technique based on the use of co-axial illumination system. The third measurement takes place only in the situation when a simple pattern, i.e. an angled single line, is applied to the sheet surface in the region of the anticipated hemming deformation. To identity that pattern, the, improved by the author, ALM solution based on digital image processing techniques is used to provide more reliable solution, more accurate strain measurements and full automation. To summarize the whole, figure 6 demonstrates the portable vision measurement system capabilities: (a) the surface quality characterization by micro-cracks evaluation, (b) measurement of the surface geometry with profile, and (c) continuous strain measurement with improved ALM.

REFERENCES
Chen, K., Giblin, P., Irving, A., 1999, Mathematical exploration with MATLAB, Cambridge University Press. Epstein, J.S., 1993, Experimental techniques in fracture, New York, VCH Publishers. Graf, A. and Hosford, W., 1994, The influence of strain-path changes on forming limit diagrams of A1 6111 T4 , International Journal of Mechanical Sciences, 36/10, 897910. Higham, D.J., Higham, N.J., 2005, MATLAB guide, Society for Industrial and Applied Mathematics. Livatyali, H., Müderrisolu, A., Ahmetolu, M. A., Akgerman, N., Kinzel, G. L. and Altan, T., 2000, Improvement of hem quality by optimizing flanging and pre-hemming operations using computer aided die design, Journal of Materials Processing Technology, 98/1, 41-52. Livatyali, H., Laxhuber, T. and Altan, T., 2004, Experimental investigation of forming defects in flat surface–convex edge hemming, Journal of Materials Processing Technology, 146/1, 20-27. McNeill, S. R., Peters, W.H. and Sutton, M. A., 1987, Estimation of stress intensity factor by digital image correlation, Eng. Fract. Mech. 28/1, 101-112. Muderrisoglu, A. M., Murata, M., Ahmetoglu, M. A., Kinzel G. and Altan T., 1996., Bending flanging and hemming of aluminum sheet - an experimental study, Journal of Materials Processing Technology, 59/1-2, 10-17. Swillo, S. J., Hu, S. J., Iyer, K., Yao, J., Koç, M., Cai, W., 2005, Detection and characterization of surface cracking in sheet metal hemming using optical method, Transactions of the North American Manufacturing Research Institute of SME, 33, 49-55. Swillo, S., Iyer, K., and Hu, S. J., 2006, Angled Line Method for Measuring Continuously Distributed Strain in Sheet Bending, ASME Journal of Manufacturing Science and Engineering, 128, 651-658. Świłło, S., Kocańda, A., Czyżewski, P., Kowalczyk, P., 2011, Hemming Process Evaluation by Using Computer Aided Measurement System and Numerical Analysis; Proc. Conf. Technology of Plasticity 2011, eds. Gerhard Hirt, A. Erman Tekkaya, (Wiley-VCH Verlag GmbH & Co. KGaA) Weinheim, Aachen, 633-637. Świłło, S., Czyżewski, P., 2011, Analiza procesu zawijania z wykorzystaniem pomiarów wizyjnych i obliczeń numerycznych (MES), Zeszyty Naukowe, 238, Oficyna Wydawnicza Politechniki Warszawskiej, 93-98 (in Polish). Świłło, S., Czyżewski, P., Kowalczyk P., 2012, An experimental study of deformation load for hamming process, Przegląd Mechaniczny, 5, 34-37 (in Polish). Świłło, S., 2012, Hemming process strain measurement using Angled Line Method (ALM), 2012, Hutnik, 6, 443-446 (in Polish).

5. SUMMARY
In this paper the author presents several solutions that have been developed in the area of the hemming process experimental analysis. Since, the hemming deformation area is concentrated in a small corner area, advanced vision-based methods were applied with key parameters such as: strain, geometry and quality measurement. As a result of using the surface quality evaluation method, the hemming quality could be analyzed and characterized for any given material and processing conditions. Next, a successful result of using the strain measurement method for large deformation continuous (high increment resolution) strain distribution, maximum strain (strain peak localization and value), were computed. Finally, a geometry reconstruction was performed by scanning laser method. As a final results of the research investigation, a specially design portable vision–based measurement system has been developed to conduct all the experiments instead of a previously used stationary solutions. Currently, the hemming experimental investigation confirms that the surface strain distribution is a major factor including the solution to the problem of hemming diagram representation. By calculating more accurately the strain distribution using a new hand-held system and including the history of deformation, a new model of hemming limit diagram representation can be created. Acknowledgements. Scientific work financed as a research project from funds for science in the years 2009-2011 (Project no. N N508 390737).

APARATURA POMIAROWA DO ANALIZY PROCESU ZAWIJANIA Streszczenie Nowy, przenośny system doświadczalny został zaproponowany do analizy procesu zawijania. We wstępie przedstawiono informację o potrzebie wykorzystania systemów wizyjnych w analizie problemów występujących w procesie zawijania. Następnie, przedstawiono konstrukcję narzędzi do realizacji trzystopniowego procesy zawijania. Pośród licznych wizyjnych urządzeń pomiarowych stosowanych do pomiarów i rekonstruk-

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INFORMATYKA W TECHNOLOGII MATERIAŁÓW cji 3D elementów zawijanych, zaproponowana została przez autora metoda skanowania. W przedstawionym artykule, odniesiono się do problemów zaproponowanych technik pomiarowych i procesu obróbki obrazu w odniesieniu do przykładów doświadczalnych. Po pierwsze, zapisany obraz próbki jest analizowany pod kątem jej geometrii. W dalszej części, przedstawiono szczegóły odnośnie zaproponowanej nowej metody rekonstrukcji geometrii wraz z pomiarem wartości odkształcenia. Na koniec, przedstawiono, system przenośny kontroli jakości w ujęciu przemysłowym.
Received: October 28, 2012 Received in a revised form: December 4, 2012 Accepted: December 13, 2012

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COMPUTER METHODS IN MATERIALS SCIENCE
Informatyka w Technologii Materia ł ów
Publishing House AKAPIT

Vol. 13, 2013, No. 2

AN EXPERIMENTAL AND NUMERICAL STUDY OF MATERIAL DEFORMATION OF A BLANKING PROCESS
SŁAWOMIR ŚWIŁŁO*, PIOTR CZYŻEWSKI Faculty of Production Engineering, Warsaw University of Technology, ul. Narbutta 85, 02-524 Warszawa, Poland *Corresponding author: s.swillo@wip.pw.edu.pl
Abstract An experimental and numerical investigation is carried out in order to determine a material deformation of a blanking process. A highly localized, large strain distribution during the process at the last stage of a complete martial separation, has influence on the final surface quality product. Commonly using method in simulation of the blanking process is based on numerical approach. However, due to the large plastic element deformation is highly recommended to use remeshing procedure and other estimation solutions to simulate the last stage. To verify the final results and theoretical model other method are required. The paper present some implementation of experimental investigation in the field of displacement and strain measurement using a digital image correlation technique (DIC). The authors presents an experimental results of 1 mm thick specimen at the planar blanking process, where different clearances were used in the designed, fully automated apparatus. Finally, the experimental results were compared to the FEM simulation model with a good agreement. Key words: vision system, blanking process, correlation method, strain measurement, FEM

1. INTRODUCTION Currently, the technology of making numerous electronic components and equipment, such as engine rotors or transformer cores, is based on the use of a punching process. The above mentioned components are assembled by packeting a group of cut out elements. Hence, very important for the overall quality of the electrical assembly operation is the quality of single components in a packet. The limiting factor is too large burr on the cutting edge, which causes inaccurate adhesion of the sheet metal in a packet and serious deterioration of the quality of electrical assemblies. Finding a solution to this problem is one of the key issues in this technology of making components, and one of the methods currently applied is an experimental analysis of the cutting process.

Experimental analysis of the blanking process is a very complex issue and for a long time it lacked a solution due to the occurrence of large and irregular deformations near the die edge and punch. For a long period of time, the method used for the analysis of displacements was that of visioplasticity (Sutton et al. 1986), unfortunately giving less accurate results and requiring time-consuming calculations. Difficult to identify patterns of the grids, the blurred images of which were subjected to image processing, did not allow obtaining satisfactory results. Hence the need has emerged to search for new solutions in the field of numerical analysis. An outcome of this search was the development of a method based on Fourier transform, applied in the analysis of displacement increase between the individual stages of a cutting process (Leung et al. 2004). By

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with several elements such as: base. certain conditions had to be satisfied to make such calculations possible. Brokken et al. plastic flow in the initial phase and crack formation next. However. This was due to the fact that. Thus gathered information is transformed to the computer memory and subjected to further numerical analysis. mainly due to the rapid development of various vision techniques and gaining access to solutions offering rapid cameras of high-resolution. Currently. many authors (Stegeman et al. but irrelevant to the real conditions under which processes of this type are performed. b) vision system configuration. material texture was examined. side walls and upper connecting element and bearing shell as well as sliding element with clamping of the upper cutting surface. sion access to the area of material deformation. Since that time. with COMPUTER METHODS IN MATERIALS SCIENCE Fig. 2. – 334 – . These conditions demand taking into account the external factors such as vibration. the results obtained in this way were mainly based on tests carried out with the aid of specially designed instruments.INFORMATYKA W TECHNOLOGII MATERIAŁÓW comparing the image of a certain stage of deformation with the image following immediately this stage. taking into consideration two stages of the process shown in figure 1a. With the punching process performed under static conditions. getting results even when operating on millimetre samples. Schematic of the experimental set-up: a) blanking apparatus. i. instead of the typical markers applied to the surface in the form of mesh. 1999) have tried to solve this problem. The goal was achieved by designing a special unit to carry out the punching process. All these factors make the analysis of the deformation process of the die-cut materials a great experimental challenge in the field of measurement techniques for both experimental and numerical methods (Makich et al. the blanking process was performed using only a hand holder.e. and Hambli 2001). However. EXPERIMENTAL SET-UP The schematic representation of a measurement stand is shown in the attached figure 1.5 millimetres thick. a distribution of displacement was obtained. Hence. The authors’ proposal for the study of the cutting process relates to vision measurements taken under the real conditions of the punching operation. A final configuration of the experimental set-up is demonstrated in figure 1c. For tests an albumin plate was used. taking into account the conditions adequate to vision measurements. strips of 1. the submitted studies lacked any conclusions regarding the tool wear behaviour and analysis of the crack formation tendency. which enabled the deformation size to be determined. since the proposed method required visualisation of even the smallest displacements of the material. where the sheet metal is pressed between plate and die. where all the systems such as: optical. From the sheet with overall dimensions of 100x80 millimetres and 1. adequate lighting and vi- precise punch location for each step of deformation (figure1b). 2008.5x7x35 mm dimensions were cut out. the process is carrying out using a stepper motor. Specially designed illumination system allowing for the small measurement area and diversity of material structures enables taking a sequence of images captured by the vision system with specially chosen lens and a digital camera recording in the memory hundreds of photos per second. both these issues being quite fundamental in control of the tool performance and monitoring of the process run. Initially. 1998. illumination and vision systems are presented. possible to achieve only with a sufficiently large image resolution. the authors were able to gain control of the image recording at a resolution relevant to the size of material displacement. 1. Tests were carried out using a specially designed blanking apparatus.

the process of the measurement discretisation is imposed solely because of the image resolution. several solutions are applied. To meet this requirement. To perform an analysis of the recorded images of the surface of the cut out material. b) initial step. a texture patterns need to be related to small group areas. For this reason. STRAIN MEASUREMENT The measurement of deformation in a punched sample is a serious problem due to high localisation of the non-linear strain distribution. any possible inaccuracies in calculations were compensated by optical zoom and limiting the analysis to a small area with the highest strain concentration (figure 3). b) final step (just before cracking). Therefore. Figure 4 shows results of the surface discretization for the sample before and after process using virtual grid pattern. 3. although a low-resolution camera has been used (640x480 pixels). require that the test area was adequately illuminated and the process of numerical calculations referred to small displacements of the material. which in the case of the proposed solution is not restricted by the geome- Fig. the maximum strain will be concentrated in an area not larger than tens of micrometers. Assuming that the die-cut sheet has a thickness of 1 mm. Specimen surface quality under different illumination and after surface machining. the strain measurement method should be characterised by try of the pattern used. – 335 – COMPUTER METHODS IN MATERIALS SCIENCE . however. 2. which enables high-accuracy determination of the measured parameters.INFORMATYKA W TECHNOLOGII MATERIAŁÓW Fig. involving the use of a simple natural pattern resulting directly from the texture of the material. high resolution and high accuracy. 3. In the tests carried out. Next the optical magnification is an important parameter. Methodology of the planar blanking process: a) blanking apparatus. Due to this. An additional advantage of the proposed solution is its simplicity. To accurately measure the material flow on the surface of an object. where material texture combine with their illumination are the major parameters as shown in figure 2. The measurement conditions. a method for the strain measurement has been proposed that demands the use of combined advanced solutions in the field of machine vision based on the correlation of two images. a high surface specimen quality is required. since the DIC method is sensitive for the texture marks. An advantage of this method over the traditional techniques using different mesh geometry is the process of measurement discretisation. advanced numerical solutions of the image processing based on digital image correlation have been used. The numerical process of comparing two images is performed for each pixel in the examined area. such as: dividing the examined area into small sub-groups or using high resolutions. However.

showing a good agreement to the FEM results. Surface discretization using digital image correlation method (virtual grid pattern applied to the real surface: a) initial stage. v j ( n) expresses COMPUTER METHODS IN MATERIALS SCIENCE vector directional cosines of the n direction. 5. Let us choose some point xi(n) from the neighborhood of the point xi.INFORMATYKA W TECHNOLOGII MATERIAŁÓW Fig. DISCUSSION OF THE RESULTS Next. In a mathematical formulation it means the use of a directional derivative of the gradient of an increment of displacement. additional experimental investigation was conducted for a planar blanking process to determine an influence of the clearance for the material fracture. The displacement increments Δuij are unknown in this equation.  (j n ) ui . The punch penetration for each case were obtained every time up to fracture. Fig. 2. Ten sets of experiments were conducted in the range of 0. During these experiments the clearance between the material and the punch was measure and the blanking process was recorded in computer memory. 4. The solution of the equations is available when at least two directions are investigated and the least square method is used. The upper braced index denotes the chosen direction. On the basis of directional derivative of the displacement increment vector we get: Finally. j   2ui( n ) s ( n ) for i. The next surrounding in relation to the grid is conceived as neighboring points. 4. Results of the True Strain for the planar blanking process: a) experiment. j  1. Δs(n) is a distance between the points xi( n ) and xi in the direction.035mm to 0. Figure 7 shows that the relation between the punch penetration and clearance is most likely linear.3 (1) where:  2ui( n ) is the second order increment of the displacement vector. and by taking into consideration the impact of the near-by surrounding (Swillo 2001). – 336 – . That prediction could be successfully implemented in numerical calculation.485mm of clearance (figure 6). b) final stage. As for the kinematics calculation a method of analysis of grid has been applied. In the numerical simulation a large grid pattern was used intentionally (similar to the virtual grid – figure 4) in order to verify the image processing procedure that has been performed based on the correlation method. the total logarithmic strain was calculated as presented in figure 5. b) FEM. the assessed quantity of which depends upon the position of the analyzed node.

referring to the two dimensional displacement analMakich. F. 5. Acknowledgements.. M. Int. Chambert. 2008. 3.P. 2004.R.. McNeill.. C. Numerical modeling of the metal blanking process. W. International Journal of Mechanical Sciences. 272-277. Automatic of strain measurement by using image processing. Techn.W. Mingqi.485 mm). L.C.A. H... Leung.. Nevada. Duże wartości odkształcenia połączone z ich koncentracją na niewielkich obszarach prowadzące do procesu rozdzielenia – 337 – COMPUTER METHODS IN MATERIALS SCIENCE perimental and numerical study of a planar blanking process. and are Stegeman Y.H. Proc. Mater.. An exa valuable tool for verifying numerical methods.C.R.J. S.P.. 669-676.INFORMATYKA W TECHNOLOGII MATERIAŁÓW Fig.. Comparison between Lemaitre and Gurson damage models in crack growth simulation during blanking process. 1999. H...M. T... Leep. 1. 1243-1246. Influence of clearance on the material punch penetration..T. Monteil. 192– 199. The experimental examples presented in this paper ized plastic deformation. Scientific work financed as a research project from funds for science in the years 2011-2013 (Project no. monitored up to fracture. International Journal of Machine Tools and Manufacture. N N508 628140).. 266-276.A. Brekelmans. R. Y.M.P. Carpentier.. D. 2001.. Hambli. Gen. An effective process of strain measurement for severe and local- DOŚWIADCZALNA I NUMERYCZNA ANALIZA PROCESU CIĘCIA W POMIARACH DEFORMACJI Streszczenie Doświadczalne i numeryczne badania zostały przeprowadzone. J. Tang. REFERENCES Brokken. Conf. Wong J.M. J. Baaijens F.. The results indicate blanking operation parameters (blanked material – wear that there are ample possibilities in the field of exof the punch). L.C.. Form.. 7. Brekelmans.E. eds. 2001.A..correlation with urements using grid method. yses (according to the function (1)) and strain measJ.. Ch.035-0.R.. 7-8. w celu określenia wielkości deformacji w procesie cięcia. Govaert. Image and Vision Computing. Chan. Peters. X. 6. L. G... (less than 1 mm) thick. 1998.. Set of experimental results for different clearance (0.. 1986. 87. Brokken D. M. the deformation in a planar blanking process was monitored up to fracture. 43. Lee. Parsaei. W. Mat. Goijaerts A. Las Vegas. . Application of an optimized digital correlation method to planar deformation analysis. Baaijens.. Sutton. Journal of Materials Processing Technology. 2769–2790. Engineering Design and Automation 2001. H.. The proposed automatic vision system enabling the realization of measurements and calculations in a quick and precise manner for the blanking process even for the small Fig. W.. perimental analysis of the material flow. Chao Y. Metrology of the burr amount . SUMMARY In the currently ongoing project.T. The DIC method was used to numerically control the defamation and the FE method was compare to experimental results. S. Swillo...Y. 143-150. 83. Proc. Roizard.

Received: October 17. Wyniki pomiarów doświadczalnych zostały zestawione z symulacja komputerową MES. Tradycyjne metody analizy tych zjawisk opierają się wykorzystaniu metod numerycznych. Z uwagi jednak na dużą koncentrację odkształceń zalecane jest weryfikowanie tych wyników innymi metodami doświadczalnymi.INFORMATYKA W TECHNOLOGII MATERIAŁÓW materiału mają duży wpływa na końcową jakość wyrobu. W artykule przedstawiono możliwość zastosowania numerycznej obróbki obrazu z zastosowaniem korelacji w pomiarach pól przemieszczeń i odkształceń. 2012 COMPUTER METHODS IN MATERIALS SCIENCE – 338 – . 2012 Accepted: November 5. Zaprezentowano wyniki obliczeń doświadczalnych dla procesu cięcia dla różnych wielkości luzów. 2012 Received in a revised form: October 22.

Meinders et al. sheet-metal forming.. 2013. Key words: TWB blanks.. ul. 2008. This is due to weld dislocation. 2001). JANINA ADAMUS. based on the finite element method (FEM). FEM modelling. such as alpha and beta titanium alloys. It also allows for reduction of discards from cutting and blanking. INTRODUCTION Tailor-Welded Blanks (TWB) become more popular in industrial applications in these sectors where reduction of weight and manufacturing costs are important. 2000).8 mm are examined. WOJCIECH WIĘCKOWSKI. The preliminary experimental studies confirm correctness of the assumptions in the presented numerical forming process. Forming the spherical caps from the uniform and welded blanks are analysed. Grade 2 and Grade 5 (Ti6Al4V) titanium sheets with thickness of 0. 2010. A three-dimensional model of the forming process and numerical simulation are performed using the ADINA System v.. JULITA WINOWIECKA Częstochowa University of Technology. They might be useful in design and optimization of the forming process.8. The presence of the weld (its geometric parameters) of different (generally lower) plasticity compared to the base material and heterogeneity of stamped blank lead to change in material deformation scheme in comparison with the deformations that occur in a homogeneous material. whose direction and mag- 339 – 344 ISSN 1641-8581 . 42-201 Częstochowa. Sinke et al. Drawability and possibilities of plastic deformation are assessed based on the comparative analysis of the determined plastic strain distributions in the drawpiece material and thickness changes of the cup wall. The results obtained in the numerical simulations show some difficulties occurring in forming of welded blanks and provide important information about the process course. No. Dąbrowskiego 69. and decrease in number of parts needed to produce component..COMPUTER METHODS IN MATERIALS SCIENCE Informatyka w Technologii Materia ł ów Publishing House AKAPIT Vol. Reduction of production costs for elements made of TWB blanks results from limitation to material usage and number of required forming operations. Application of TWB blanks allows for achieving in one operation drawpieces characterized by mixed strength and functional properties. Schubert et al. 2010. Babu et al. 2 MODELLING OF STAMPING PROCESS OF TITANIUM TAILOR-WELDED BLANKS PIOTR LACKI*. and consequently decline in the demand for tools. especially in case of forming hard-to-deform sheets. 13. Poland *Corresponding author: piotr@lacki.pl Abstract In the paper some numerical simulation results of sheet-titanium forming of tailor-welded blanks (TWB) are presented. 2007.com. An analysis of the mechanical properties and geometrical parameters of the weld and its adjacent zones are based on the experimental studies.6. They are of particular interest in automotive and aircraft industry where there is the growing demand for shell parts (drawpieces) meeting specific functional properties which include low fuel consumption and sufficient strength of elements responsible for usage safety (Hyrcza-Michalska & Grosman. titanium sheet 1. Application of welded blanks for products manufactured with use of stamping process requires solving many problems. It is estimated that application of TWB blanks can reduce the number of required parts to 66% and reduce the weight by half (Qiu & Chen.

. On the other hand titanium Grade 5 sheets have higher strength than titanium Grade 2 sheets and they have low propensity to plastic deformation and this limits their application in forming processes (Adamus. including numerical simulations of the process. using numerical simulation and experimental verification of changes in the wall thickness distribution in the drawpiece. 2000. The zone of microstructure changes has a width of less than 3 mm. heat affected zone (HAZ) in Grade 5.. 2008. a) Drawpiece obtained during experimental research. 2000). 2. In order to evaluate suitability of welded blanks for the forming processes. Experimental studies are designed to confirm the validity of the assumptions made in the numerical model of the process (figure 1a). – 340 – . Microstructure of the border zone between the joint penetration and HAZ in Grade 2 is more evolute than the border zone be- COMPUTER METHODS IN MATERIALS SCIENCE Fig 1. Więckowski et al. 2000). 2010. Kinsey et al. fine-grained structure. Qiu & Chen. Additionally calculations for the tween HAZ in Grade 5 and the joint penetration zone. Grade 2 and Grade 5 materials were joined using electron beam welding (EBW) technology. 2011. that will allow for prediction of sheet behaviour in consecutive stages of the forming process (Ananda at al. uniform sheets Grade 2 and Grade 5 were performed. HAZ in Grade 2 is wider than HAZ in Grade 5. among others in aircraft industry. Rectilinear shape of grain boundaries is typical for recrystallized grains. Babu et al. In this study the numerical simulation of drawing spherical cap from welded sheets made of titanium Grade 2 and Grade 5 of the same thickness was performed. Hyrcza-Michalska et al. titanium Grade 2 sheets have good drawability however produced drawpieces are characterized by low strength.  phase grains with lenticular grains represent the microstructure of base material Grade 2.. heat affected zone in Grade 2 and base material . Its width is of ~2282m. Generally. while width of HAZ in Grade 5 together with zone of joint penetration is of ~553 m. Grains of  phase with separation of  phase on the grain boundaries are visible.INFORMATYKA W TECHNOLOGII MATERIAŁÓW nitude depend on differences in mechanical properties and thickness of welded materials (HyrczaMichalska & Grosman. GOAL AND SCOPE OF THE WORK A goal of the paper is evaluation of changes in deformation and displacement scheme of TWB blank material in consecutive stages of the forming process. Babu et al. 2010. 2009 b). 2006. 2010. for structural elements with specific functional properties leads to a growth of interest in sheet-titanium forming. Lisok & Piela. Zimniak & Piela.. Microstructure of electron beam welded joint is shown in figure 1b. Meinders et al. it is necessary to carry out several studies. 2010. 2007. zone of joint penetration. Higher magnification shows a change of globular microstructure into lamellar one on the transition of HAZ in Grade 5 into the joint penetration zone. The increase in demand. 2003. Microstructure of HAZ in Grade 2 shows big recrystallized grains of  phase. 2007. Rojek.Grade 2. 2004. EBW causes some changes in material microstructure... in order to evaluate its drawability and formability in traditional stamping processes. Analysis of the joint microstructure shows occurrence of 5 zones – from the left: base material – Grade 5.. b) microstructure of electron beam welded joint. 2009 a. Titanium Grade 5 has a globular.

2. each other was realised by immobilising die and applying the displacement to the punch in the direcTable 1. A proper selection of the blank-holder blank diameter d 60 mm k force prevents wrinkling of the flange material (figclearance between punch and die l = dm-ds 2 mm ure 3). A contact interaction between the tool and the blank material plays an important role in the forming process (Adamus.6. of base material. heat Modeling of the welded blank material required affected zone and weld zone were determined based distinction of appropriate zones and taking into acon the uniaxial tensile test as well as on the basis of – 341 – COMPUTER METHODS IN MATERIALS SCIENCE .0 mm Discretization of the blank material (TWB blank-holder force Fd 3000 N blanks) for the stamping process. where the working with the specified 5-zone model of the welded blank. NUMERICAL MODEL A three-dimensional model of the stamping process was developed. which equals to thickness of the welded blanks – 0. In the numerical calculations a friction coefficient  . M2) .INFORMATYKA W TECHNOLOGII MATERIAŁÓW 3.figure 2. count different material properties in the weld vicinity. 2009 a). tion of X axis. 2010. 8. was set In the calculations all elements corresponding to for the contact surface “punch – deformed material the tool were assumed to be perfectly rigid and for (blank)” without lubrication.7 mm stamping process.8 mm. In the presented model 5 zones were distinguished: weld zone (W). FEM geometry model is shown in figure 2. based on FEM. heat-affected zone width HAZ2 1. and the friction coefficient . A discrete model of the forming process of a spherical cup made of TWB blank blank-holder. a punch and a blank-holder.9 mm based on the preliminary numerical simulation of the heat-affected zone width HAZ1 1. Parameters assumed in FEM model for the stamping process of TWB blanks. The model comprises material of the welded blank and the stamping tool consisting of a die. two heat affected zones (HAZ) located symmetrically on both sides of the weld (HAZ1. In the calculations a constant thickness of the weld and heataffected zones.8 mm value of the blank-holder force was determined weld width W 1. was assumed. elements corresponding to the deformed sheet an Calculations were performed using the ADINA isotropic elastic-plastic material model was applied System v. In the case of the blank-holder its progressive motion was limited by a hold-down Parameter value force Fd.1 was set for contact surfaces between the die. surfaces were lubricated. Measurements of the zones were performed during observation of the weld cross-section structure. In the analysed case the weld was located in the drawpiece centre. and it also has a significant impact on the punch radius rs 16 mm distribution of drawpiece wall thickness. HAZ2) and two zones representing base materials (M1. linear description of material hardening and the conMutual displacement of tool elements against tact between the tool and the forming blanks. An optimal die fillet radius rm 4 mm blank thickness g 0. which allows for non(bilinear plastic material model). Some important geometric parameters of the model are presented in table 1. in the form of punch path hs 20 mm a disc with diameter dk = 60 mm. blank and Fig. for performing calculations. was performed using four-node shell elements of specified thickThe mechanical properties. which are required ness.

b) material thinning [mm].4 442. Material/zone M1-GRADE 2 M2-GRADE 5 HAZ1 HAZ2 W COMPUTER METHODS IN MATERIALS SCIENCE Fig. The assumed mechanical properties are summarized in table 2. and is accompanied by uniform thinning of the drawpiece wall (figure 4b).37 0.INFORMATYKA W TECHNOLOGII MATERIAŁÓW changes in hardness distribution within the weld cross-section.5 518.8 798.37 4.37 0.7 375. b) blank-holder force 3000N. Table 2. Experimentally determined material properties of Grade 2 and Grade 5 titanium.6 1002. Tensile strength Rm [MPa] 316. In this area it is seen a considerable material thinning (figure 5a and 5b).0 Young’s modulus E [GPa] 110 110 110 110 110 Poisson’s ratio  0. In the case of the forming process of uniform Grade 5 blank it is seen that concentration of plastic strains is in a pole of the cup.5 Yield strength R0.2 [MPa] 236. The drawpiece shape obtained in numerical simulation of the stamping process of the welded blank a) blank-holder force 1000N.37 0. 4.37 0. Numerical simulation results of stamping process of spherical cup made of Grade 2 blank at the punch penetration of 10 mm: a) plastic strain distribution  [-].3 747. and HAZ material. The numerical calculation results of plastic strain  [-] and thinning of the drawpiece wall as a result of stamping process are shown in figures 46.3 368.8 964. 3. In the case of stamping process of uniform Grade 2 blank it can be observed that the plastic strain distribution in the blank material is uniform and circular (figure 4a). weld materials. – 342 – . The mechanical properties of the material in the weld zone were estimated based on the relationship between the hardness and strength of the material assuming that the material yield stress is in direct proportion to its hardness. Fig. The numerical simulation of TWB blank forming shows that the weld moves in the direction of Grade 5 material as punch hollows into the deformed blank (figure 6). Test specimens were prepared using TIG welding method. RESULTS Figure 2 shows the shape of the drawpiece obtained during the numerical simulation of stamping process of TWB blank.

01. which will allow for further improvement. using rigid tools. Fig. In future these studies will be focused on a more accurate description of material mechanical characteristics in the heat affected zones and weld.02-00-015/08-00 is gratefully acknowledged. is much more difficult than stamping of the Acknowledgements. Numerical simulation results of stamping process of spherical cup made of Grade5 blank as the punch penetrates the depth of 10 mm: a) distribution of plastic strains  [-].Innovative Economy (IE OP) financed from the European Regional Development Fund . 6. It should also be noted that in the area near the drawpiece top (on the border between more deformable material and the heat affected zone) there is a local increase in strains and significant thinning of the drawpiece material (figure 6a and 6b).). . The simulation results show the efficiency of applying numerical calculations to studying stamping processes of TWB blanks. The performed simulations (FEM) of the process allow for analysis of deformation introduced into material during forming process and drawability assessment of the welded blanks. The results provide important information about the process and may be useful for the design and optimization of the process run (selection of appropriate process parameters such as: blank-holder force. Comparison of strain distribution in the drawpiece made of a homogeneous material with those found in drawpiece made of TWB blanks shows that the presence of weld with different strength properties. b) material thinning [mm]. introduces irregularity in the strain scheme in the deformed blank. As a result of weld displacement. Nr POIG. 5. b) material thinning [mm]. Numerical simulation results of stamping process of spherical cap made of welded blank Grade2||Grade5 for punch penetration of 10 mm: a) distribution of plastic strain  [-]. This might indicate that there is a possibility of drawpiece weakening and possible loss of material continuity in this area. The calculations confirmed experimental results that stamping of titanium welded blanks that are characterized by different strength properties. Financial support of Structural Funds in the Operational Programme . lubrication conditions etc.01.INFORMATYKA W TECHNOLOGII MATERIAŁÓW Fig. SUMMARY The main goal of the study was to develop a numerical model of stamping process of titanium TWB blanks. It can be observed that there is limited formability in the zone corresponding to weld and that there is movement of this zone in the direction of less deformable material. – 343 – COMPUTER METHODS IN MATERIALS SCIENCE uniform blanks. 5. plastic strains increase in more deformable material and decrease in less deformable material (figure 6a).Project "Modern material technologies in aerospace industry".

.. 103. Adamus J. 2000. 2004. Lacki P. Andreychuk P. 99. Archives of Metallurgy and Materials.. Ananda D. A novel forming technology for tailor-welded blanks. Int. Przeprowadzono analizę kształtowania czaszy kulistej z wsadu spawanego oraz materiałów jednorodnych. 2010.. Fruitos O.. 2003. Zimniak Z. Finite element analysis of a tailored blanks stamping process. Archives of Civil and Mechanical Engineering. Meinders T.. Chena D. 2012 COMPUTER METHODS IN MATERIALS SCIENCE – 344 – . Piela A..A.. Modelling and simulation of complex problems of nonlinear mechanics using the finite and discrete element methods. Dokonano oceny tłoczności oraz możliwości kształtowania plastycznego badanych materiałów poprzez analizę porównawczą wyznaczonych rozkładów odkształceń plastycznych w materiale wytłoczek oraz zmiany grubości ścianek wytłoczek.net Adamus J. bazującego na metodzie elementów skończonych (MES).. Iacono C.. 6 (in Polish). Huetink J. Wyd. Lisok J. Deep drawing simulations of Tailored Blanks and experimental verification. Bhole S. Qiu X. 2007.. 2001. 2004. 17th International Scientific And Technical Conference “Design and technology of drawpieces and die stampings”.. Archives of Civil and Mechanical Engineering. Rojek J. 2008. Babu Veera K. Piela A. Walz C. Theoretical and experimental analysis of the sheet-titanium forming process. 187–188. Politechniki Częstochowskiej (in Polish). An expert system for predicting the deep drawing behavior of tailor welded blanks.. 2010. 106. 2009 b.G. 2012 Received in a revised form: November 22.6.8 mm. Model złącza spawanego we wsadach do tłoczenia blach „tailored blanks”. Przegląd spawalnictwa. Narayanan Ganesh R.. Cao J. 37. Seplod G. The study on numerical simulation of the laser tailor welded blanks stamping... Materials Science and Engineering. G. 2000. The analysis of forming titanium products by cold metalforming. Lisok J. Boudreau. Piela A. Fatigue behavior of tailor (laser)-welded blanks for automotive applications. Sinke J. Expert Systems with Applications.. 2009 a. Conf. Prowadzone równolegle wstępne badania doświadczalne potwierdziły słuszność przyjętych założeń w zaprezentowanym modelu numerycznym procesu tłoczenia. Formability of laser welded blanks. 54/3. Zerner C. Klassen M.. Rojek J.L.. Light-weight structures produced by laser beam joining for future applications in automobile and aerospace industry.... Numerical simulation of car body elements pressing applying tailor welded blanks – practical verification of results. Journal of Materials Processing Technology. Schubert E. Przestrzenny model procesu tłoczenia oraz obliczenia numeryczne wykonano przy użyciu programu ADINA v. Hyrcza-Michalska M. Kumar Saravana G. Mater. Monografie nr 174.. Uzyskane na drodze symulacji wyniki wskazują na trudności występujące podczas kształtowania blach spawanych oraz dostarczają istotnych informacji o przebiegu procesu.D. Key Engineering Materials. van den Berg A.L. Form. Oceny właściwości mechanicznych i parametrów geometrycznych spoiny oraz obszarów jej przyległych dokonano na podstawie badań doświadczalnych.. 2010.... J. Model of welded joint in the metal charges used for testing pressformability. Received: October 16. 56/11 (in Polish). MODELOWANIE PROCESU TŁOCZENIA SPAWANYCH BLACH TYTANOWYCH TYPU TWB Streszczenie W artykule przedstawiono wyniki symulacji numerycznych procesu tłoczenia spawanych blach tytanowych typu TWB (Tailor-Welded Blanks). Tailor made blanks for the aerospace industry.. Chen W. 2011. Liu Z. Adamus J. Journal of Materials Processing Technology.. Kinsey B.. 2012 Accepted: November 9.INFORMATYKA W TECHNOLOGII MATERIAŁÓW REFERENCES Adamus J. Journal of Materials Processing Technology. 199–207. 10/4. http://www. Zadpoor A. Więckowski W.. przez co mogą być przydatne na etapie projektowania i optymalizacji procesów tłoczenia. 2006. 8. Journal of Materials Processing Technology. Stamping of the Titanium Sheets. 115.. Numerical simulation of the sheet-metal forming process of tailor-welded blanks (TWBs). Proc.... 2010. 3/1. 4/3.scientific. Prace IPPT IFTR REPORTS 4 (in Polish). Hyrcza-Michalska M... Rudy Metale. 2007. A 420. Grosman F.... Poznań:INOP (in Polish). Badano blachy tytanowe Grade2 i Grade 5 o grubości 0.. Journal of Materials Processing Technology.

1995. Wei & Zhang.3. No. The calculated phase diagrams have symmetric miscibility gaps for B3 and B4 structure types and a slightly asymmetric diagram for B1 structure. Germany *Corresponding author: andrzej. Deligoz et al.4.. lasers and solar cells (Xu et al. both B3 and B4 structures convert to the denser rocksalt- 345 – 350 ISSN 1641-8581 . 32. Petersenstr. zinc-blende (B3). and with these. 2009. 2013. Tolbert & Alivisatos. Gaithersburg. 2000. 300 K for B3. and references cited therein). Poland 2 GFZ German Research Centre for Geosciences. The equilibrium zincblende structure is observed in CdS nanostructures (Banerjee et al. CdSe1-xSx solid solutions have attracted great interest in recent years from both experimental and theoretical points of view (Xu et al. 2000).72 eV for CdSe to 2. Telegrafenberg. Bankowa 12. (Mujica et al. or in the metastable B3-type structure either by molecularbeam epitaxy. groove rolling. 14473 Potsdam.edu.. ZINCBLENDE AND ROCK SALT STRUCTURES ANDRZEJ WOŹNIAKOWSKI1. Because of excellent properties Cd(S. or by controlling the growth temperature (Wei & Zhang.. Calculated consolute temperatures for all structures are in good quantitative agreement with experimental data. BENJAMIN P. Ab initio calculations of supercell formation energies were fit to cluster expansion Hamiltonians. Maryland 20899-8520. the CdSe (CdS) can be synthesized in the B4. 2 FIRST PRINCIPLES PHASE DIAGRAM CALCULATIONS FOR THE CdSe-CdS WURTZITE.. Depending on the growth conditions. visible-light emitting diodes. Germany 3 Ceramics Division. 2003. USA 4 Present address: Technische Universität Darmstadt. Mujica et al. BURTON3 Institute of Materials Science. gamma ray detectors. FEM 1 1. Fachbereich Material. 2000.pl Abstract The phase diagrams of CdSe1-xSx alloys were calculated for three different crystal structure types: wurtzite (B4). 40-007 Katowice. D-64287 Darmstadt. 2003. Hotje et al... Key words: clamping. 2006). JÓZEF DENISZCZYK1. 2003. from 1. It is known that CdS and CdSe occur at normal conditions both in the wurtzite and metastable zincblende structures.wozniakowski@us. Section 3. and 270 K for B1. 1982). Madelung et al.Se) is used in optoelectronic devices. University of Silesia. Excess vibrational contributions to the free energy were included. calculated consolute temperatures are: 270 K for B4.und Geowissenschaften. 13.44 eV for CdS. National Institute of Standards and Technology. and rocksalt (B1).. Materials Science and Engineering Laboratory.. OMAR ADJAOUD2. Banerjee et al. 2009.COMPUTER METHODS IN MATERIALS SCIENCE Informatyka w Technologii Materia ł ów Publishing House AKAPIT Vol. INTRODUCTION The cadmium chalcogenide CdSe1-xSx semiconducting alloy is characterized by a variable direct band gap which can be tuned by alloying. photoconductors. and Monte Carlo simulations were used to calculate finite temperature phase relations. Under high pressure. Fachgebiet Materialmodellierung. 2000)..

In Ref. Both configurational and excess vibrational contributions to the free energy are considered. The T-x phase diagram of the CdSe-CdS system was the subject of theoretical ab initio studies (Ouendadji et al. For the B4-type structure Breidi (2011) reports TC = 225 K < TC = 228 K for the B3 structure. Se = 4s24p4 and S = 3s23p4. were performed using the Vienna ab initio Simulation Package VASP (Kresse & Hafner. The free ener- – 346 – .. summation is over all clusters α that are not equivalent by a symmetry operation and an average is taken over all clusters α′ that are equivalent to α by symmetry. mα denote the number of clusters that are equivalent by symmetry. and a plane-wave energy cutoff of 350 eV was used which yields  values that are converged to within a few meV per atom. 1996a. The Effective Cluster Interaction (ECI) coefficients. 0. The difference between TC as calculated by Ouendadji et al.. that one can have reasonable confidence that calculated phase diagrams faithfully reflect density functional theory (DFT) energetics. 1994). 0. where (i )  n i 1  1 Ei is an ab inito calculated formation energy of su- ˆ represent the energy of perstructure i.727 cc/mol. defined as E f  E CdS x Se1 x  xE CdS  1  x E CdSe .e. In both cases (B3 and B4). In our investigations the well-converged cluster expansion system required calculation of the formation energy for 30-50 ordered superstructures. These measurements did not show the presence of a miscibility gap above 298 K. 2006) (Xu et al.. Davies. are based on sets of formation energies that are too small to yield converged effective Hamiltonians). 2009).0) were considered. Both studies predict miscibility gaps.. while excess vibrational free energy contributions were neglected. Both predicted consolute temperatures differ from the critical temperature (TC = 298 K) reported by Xu et al. (2009). while in (Breidi. Both cell parameters and ionic positions were fully relaxed for each superstructure of underlying B1. Valence electron configurations for the pseudopotentials are: Cd = 4d105s2. All calculations were converged with respect to gamma centered k-point sampling. COMPUTER METHODS IN MATERIALS SCIENCE where α is a cluster defined as a set of lattice sites. 2011. 1995. 2011) phase diagrams for both B3 and B4 structures were determined. 2003). Recent measurements of formation enthalpies (Hf) for CdSxSe1-x B4-type solid solutions. Jα. with the generalized gradient approximation for exchange and correlation potentials. 2002). For the B3-type structure the consolute temperatures (TC) reported by Ouendadji et al. (Ouendadji et al. while E (i ) superstructure i obtained from CE with the use of the remaining (n – 1) structural energies. The predictive power of cluster expansion is controlled by cross2 1 n ˆ )2  validation score CVS    ( E i  E  ..91 Å. 1994. respectively.structuretype. 2002.84 Å.934 cc/mol. (2010) and Breidi (2011) are: TC = 315 K and 228 K. van de Walle et al. Electronic degrees of freedom were optimized with a conjugate gradient algorithm. RCdS = 1. Breidi. B3 and B4 crystal structures.25. indicating that either: 1) the blocking temperature for Se/S diffusion is above TC. 2007). 1996b) implementing the Blöchl’s projector augmented wave approach (Blöchl. despite differences in molar volume (Vmol. Based on the VASP results. 1984). This may indicate that. COMPUTATIONAL DETAILS Calculations of formation energies. i. 2010. B3 and B4. 2003. 2010) only B3 structure was investigated... or 2) the consolute temperature for CdSxSe1-x in B4 structure must be below room temperature.. reported by Xu et al.CdSe = 33. and probably both. 2002a. (2009).75 and 1. Tolbert & Alivisatos. and different choices of supercells for which formation energies were calculated (this difference indicates that the sets of formation energies for at least one of these calculations. Lukas et al. Sufficiently large sets of formation energies are used.5. indicated that within experimental error Hf = 0 at 298 K. only formation energies (at x = 0. Jug & Tikhomirov. the First Principles Phase Diagram calculations were performed with the use of Alloy Theoretic Automated Toolkit (ATAT) software package (van de Walle & Ceder. that CdS and CdSe form an ideal solution in the B4. 0. at least above room temperature. (2010) and Breidi (2011) originates from the different ab initio computational setup. 1981) and anion radii (RCdSe = 1. van de Walle & Asta. 2. embody the information regarding the energetics of an alloy.. 1993. Kresse & Furthmüller. The aim of this study is to compare well converged calculations of CdSe-CdS phase diagrams in all three crystal structure types: B1.CdS = 29. Hotje et al. The VASP calculations were used to construct cluster expansion (CE) Hamiltonian in a form of polynomial in the occupation variables: E     m J    i  i ' (Sanchez et al.INFORMATYKA W TECHNOLOGII MATERIAŁÓW structure phase (Mujica et al. Vmol.

(1) N  i  where the summation is over different atomic configurations (alloy states) and   1 /(k BT ) (kB is Boltzmann’s constant). 36 – B3 and 34 – B4). ECI) fit effective force constants to model excess vibrational contributions  Monte Carlo thermodynamic integration  phase diagram. Figure 1 shows the dependence of the CVS on the number of calculated superstructures. and averaging was performed according to formula: A   Ai exp(  N ( Ei   xi )) /  exp(  N ( Ei   xi )) . 0 )  ( E   x. or B4-based superstructures (36 – B1. For each superstructure the vibrational free energy was calculated within the quasi-harmonic approximation with the application of the bond-length-dependent transferable force constant approximation (van de Walle & Ceder. 2002): temperature at chemical potential stabilizing a given ground state of a system (here. Increasing further the number of superstructures results in the fluctuations of CVS with standard deviation of order of 0.   x ) d (  . for temperature (T) and chemical potentials () imposed externally. The advantage of this approach is that it is based on the parameters-free ab initio calculations and leads to high quality effective Hamiltonians for multicomponent systems.INFORMATYKA W TECHNOLOGII MATERIAŁÓW gy contributed by lattice vibrations was introduced employing the coarse-graining formalism (van de Walle & Ceder. The optimal number of superstructures were determined by minimizing the cross-validation score between ab initio computations and the cluster expansion prediction. 3.1 meV/atom. the chemical potentials of end-members CdS and CdSe). 0) and (1.5 meV/atom was reached for approximately 25 superstructures. (2) i i Using the differential form given by equation (2) the thermodynamic potential  (  . The results presented in figure 1 strongly suggests convergence of the CE series. 2002b). 2002b). 2002): 1 (1 .  )   1   ln  exp( N ( Ei  x i )  . 1) which does not encounter the phase transition. 0) is taken in the limit of low Fig. The CE has the limitation that it only applies to a parent structure and its superstructures. The thermodynamic potential  (per atom) associated with the semi-grand-canonical ensemble can be defined in terms of the partition function of the system in the form presented in equation (1) (van de Walle & Asta. 2002). calculations of the ground state energy were performed for the stoichiometric compounds CdSe and CdS and for the formation energies of many B1-. 1. All formation energies were positive. along a continuous path connecting points (0. In the differential form (with variable T and ) equation (1) can be rewritten in a form given by equation (2): d (  )  ( E    x ) d   x d  . The convergence of CVS at values less than 1. the internal energy (Ei) and concentration (xi) of constituents of an alloy with fixed number of atoms (N).  ) (3) The thermodynamic integration in (3). In this ensemble. The phase diagram calculations were performed with the use of the Monte Carlo thermodynamic integration within the semi-grand-ensemble (van de Walle & Asta.  ( . – 347 – COMPUTER METHODS IN MATERIALS SCIENCE where E and x are the alloy’s average internal energy (calculated with the use of CE expansion) and concentration of constituents.  ) can be calculated through the thermodynamic integration described by equation (3) (van de Walle & Asta. A schematic diagram of the approach is: VASP calculations of formation enthalpies and vibrational free energies for a set of superstructures  fit a cluster expansion (CE = set of effective cluster interactions. The starting point (0. Dependence of the CVS vs number of superstructures used in the fit of CE for B1. are allowed to fluctuate. 1 ) (  0 . B3 and B4 structures.  0 )  ( 1 . RESULTS AND DISCUSSION Using the ab initio (VASP) method. was performed using the Monte Carlo method. which implies that no intermediate ground state structures were predicted. 1 )   0 ( 0 . B3-.

et al. except for the end-members compounds CdSe and CdS in B4 structure-type. In most miscibility gap systems (Adjaoud. Temperature dependent ECI. are plotted as functions of inter-atomic separations in figures 2. note that these differences are an order of magnitude smaller than the values Ef. B3 (figure b) and B1 (figure c) underlying crystal structures. Low values of cross validation score and decreasing magnitudes of the ECI justify truncation of CE series and discarding the larger clusters. The differences between VASP-calculated and CE-calculated are small. 2006) the inclusion of temperature-dependent ECI leads to a reduction in TC. The 3-body ECI. are atypical.. It is evident that with increasing distance. detailed model studies of an effect of lattice COMPUTER METHODS IN MATERIALS SCIENCE – 348 – . Figures 4 are the calculated phase diagrams for the CdSe-CdS system in B1. This correlates with the higher predicted consolute temperature when only the configurational part of free energy is taken into account. 2009. for B1 structure-type. Note the different scale used on vertical axis of figure c. which imply the inclusion of excess vibrational contributions to the free energy. Formation energies Ef calculated by VASP (cross) and fitted by cluster expansion (CE) for B4 (figure a). However. Fig. The inter-atomic distance is expressed in units of the nearest neighbor distance (dnn). Note that formation energies for B1-based supercells are about twice as large as for the wurtzite and zinc-blende structures. 3. B3 (figure b) and B1 (figure c) structures. confirm the quality and predictive power of CE. Figures 3 are plots of the VASP-calculated supercell formation energies (Ef per cation) that were used to fit the ECI in figures 2. thus the results in figures 3. pair-ECI magnitudes decrease with oscillatory sign. Fig. B3 and B4 crystal structures.INFORMATYKA W TECHNOLOGII MATERIAŁÓW The ECI. is very small. yield the results which are plotted as the upper solvii in (a) and (b) and the lower solvus in (c) (solid lines). Temperature independent ECI were used to calculate the lower solvii in (a) and (b) and the upper curve in (c) (dash lines). Burton & van de Walle. thus the results in figures 3a and 3b. Effective cluster interactions (ECI) as functions of interatomic distance (d/dnn) for the clusters taken into account in cluster expansion series for the B4 (figure a). 2.

and B4-based solid solutions. 230 K and 360 K for wurtzite-. 17953-17979. 220 K) when only configurational degrees of freedom are taken into account.and with T-dependent ECI. Jayakrishnan. Effect of the size-induced structural transformation on the band gap in CdS nanoparticles. (2009). respectively. (2009) for the TiC-ZrC system. both without.INFORMATYKA W TECHNOLOGII MATERIAŁÓW cantly as compared to that of B4 structure. Banerjee. The main feature of the calculated phase diagrams is the consolute temperature (TC).. 2006). TC) = (0. Geo. For the B1 structure (figure 4c) the phase diagram obtained on the basis of temperature independent ECI is almost symmetric (xC = 0. For the B3 structure (figure 3b) the shape of the phase diagram does not change signifi- – 349 – COMPUTER METHODS IN MATERIALS SCIENCE . The results in (a) and (b). to TC = 270 K. Surprisingly. 225. Furthermore. B. 2006.51). investigations of the vibrational entropy change upon order-disorder transition in Pd3V system (van de Walle & Ceder. O... For the rock-salt structure inclusion of vibrations reduces the consolute temperature by 25%. 50. 1996).and with excess vibrational free energy contributions (i.. van de Walle.50. 4. 12. Chem.61) and reduce the critical temperature: from TC = 360 K. 80. Blöchl. 222229. Rev. B3 (figure b) and B1 (figure c). P. Burton. with vibrational effects included.e. vibrations on the phase stabilities of substitutional alloys have shown (Garbulsky & Ceder. Inclusion of the vibrational contribution enhances asymmetry (xC = 0. 2000) have shown. For the B4 structure (figure 3a) the miscibility gap is symmetric with critical point (xC. respectively. et al.P. respectively. et al. When only configurational free energy is taken into account the calculated consolute temperatures are: 220 K. 134112-134119. Projector augmented-wave method. Phys. 4.P.and zinc-blende structure-types. 270 K) when temperature dependent vibrational contribution is included. Rev.and rock salt structure-types. zinc-blende. G.50. and (xC. van de Walle. P.. Phys. without. respectively).and rock salt structure-types were calculated by the CE-method. Burton. Miscibility gaps are predicted for all three systems. R. that the relaxation of bonds can change the sign of vibrational entropy differences as compared to the expectations based on the bond proportion model. First principles phase diagram calculations for the system NaCl-KCl: The role of excess vibrational entropy. A. R. similarly as reported by Adjaoud. Phys. B. 2000. Ayyub. Slightly above room temperature complete solid solution is possible in the zincblende structure.. zinc-blende. Matter. 1994. Condens.. respectively.. J. CONCLUSIONS Ab initio calculations of CdSe-CdS phase diagrams for wurtzite-... is atypical. Dash and solid solvii are the phase diagrams that were calculated with temperatureindependent-. B. and temperature-dependent ECI. Fig. Calculated consolute temperatures for B1. REFERENCES Adjaoud. that inclusion of vibrations into phase-diagram modeling of miscibility gap systems can increase the consolute temperature. ZrC-TiC. the inclusion of excess vibrational contributions to the free energy destabilizes the B3.. First-principles phase diagram calculations for the HfC-TiC. B. E.. and increases the consolute temperature by 30% and 23% for wurtzite. that T-independent ECI predict lowest TC rather than higher. and HfC-ZrC solid solutions. 2009. but for the B3 structure we obtained higher consolute temperatures: 230 K and 300 K. when only formation energy is taken into account. 10647-10654. B3 and B4 structure-types compare well with experimental critical temperature TC = 298 K reported by Xu. TC) = (0. Steinle-Neumann. contrary to similar studies (Burton et al. Calculated phase diagram of CdSxSe1-x alloy in B4 (figure a).. A.

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OBLICZENIA Z PIERWSZYCH ZASAD DIAGRAMÓW FAZOWYCH DLA PSEUDOBINARNEGO SYSTEMU CdSe-CdS KRYSTALIZUJĄCEGO W SIECIACH WURCYTU... Tolbert.53. High pressure phases of group IV. C. 1996.J. Rev.-H.. 124-130. 1993.. A. 46424656. 2002a. Kresse. 334-350. Needs. Sci. światłoczułych.. H. Enthalpies of formation of CdSxSe1-x solid solutions. laserach oraz ogniwach słonecznych. B3 i B1.. G. Physica A. F.. Ceder. Phys. Madelung. van de Walle.S) w warunkach normalnych krystalizują w heksagonalnej strukturze wurcytu (B4) oraz metastabilnej. S. S.P. Ceder. W przypadku struktur sieci B1 luka mieszalności wykazuje lekko asymetryczny charakter. van de Walle. 863-912... U. group III. Calphad. 17b. structural and electronic properties of binary and pseudobinary semiconductors: an ab initio study. Cambridge Press. Hafner.S) oraz ich stopy charakteryzują się szeroką bezpośrednią przerwą energetyczną i dlatego mogą być przydatne w urządzeniach optoelektronicznych. Berlin. Appl. Lattice constants and molar volume in the system ZnS. B3 oraz B1. Sanchez. Journ. First-principles computation of the vibrational entropy of ordered and disordered Pd3V. 1996a. G. 2003. B. 100. Colakoglu.. BLENDY CYNKOWEJ ORAZ SOLI KAMIENNEJ Streszczenie Półprzewodnikowe związki Cd(Se. Arizona State University.. G. 2000. 348-359. Chem. Eng. J. B. Phys. 102. M. Meradji. GaN-InN.. Phys.. 54. Zhang. Binnewies. 1996b.. CdSe.. Zrealizowany proces obliczeń wskazuje na występowanie luk mieszalności w całym zakresie koncentracji CdSe1-xSx dla wszystkich rozpatrywanych sieci krystalicznych. Mater. ZnSe. Y.. A... detektorach promieniowania gamma. Weiss. 2003. 24.M.. 62. Contribution of the vibrational free energy to phase stability in substitutional alloys: Methods and trends. 11-45. 1981.. B. K. J. R. M. X. Computational Thermodynamics.. Comput... 2002b. Rev.P. G. Anion substitution in zinc chalcogenides. Rezultaty uzyskane dla struktur sieci B4 oraz B3 charakteryzują się symetrycznymi lukami mieszalności. van de Walle. 74. 49. and lattice dynamical properties of CdS. J.. Self-driven lattice-model Monte Carlo simulations of alloy thermodynamic. Modelling Simul. PhD thesis. B. Efficient iterative schemes for ab initio total-energy calculations using a planewave basis set. The alloy theoretic automated toolkit: A user guide. Phase Equilib.. G. Kattner. 1984. Ceder. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. 1368-1374.. Springer-Verlag.. 15-50. Density functional study of CdS1-xSex and CdS1-xTex alloys... 270 K odpowiednio dla struktur sieci B4. F. Jug. Furthmüller. 521-538. Ghemid. Wyznaczone krytyczne temperatury mieszalności wynoszą 270 K. Phys. 14251-14269. ściennie centrowanej strukturze blendy cynkowej (B3). G. Munoz. 48. 1088-1092. Kresse. Arizona. The Calphad Method. 75. The effect of lattice vibrations on substitutional alloy thermodynamics. Asta. First principles phase diagram calculations for the wurtzitestructure systems AlN-GaN. Ducastelle. Rubio. electronic.. ściennie centrowaną strukturę soli kamiennej (B1).. Deligoz. Mater. 6. El Haj Hassan. Mater. Kauzlarich. Phys.A. Związki Cd(Se.D. Lukas.. 300 K. CdSe. Mod. Alivisatos. J. Temperature–pressure phase diagrams. G. 26. G.. S.. Te) semiconductors. PhD thesis. Rev. 23. 206-211.H. van de Walle. O. Chem. B.. 2002. H. J. Thermodynamics of solid solution formation.. Ceder. M. Asta. A.. A. Gratias. Rev. Se.. Res. Navrotsky. CdS.. 27. Breidi.. 2012 COMPUTER METHODS IN MATERIALS SCIENCE – 350 – . 2002.. 11169-11186. 5.B. Garbulsky. G. A. S. Furthmüller. S. Diagramy fazowe zostały wyznaczone na podstawie potencjałów termodynamicznych obliczonych metodą całkowania termodynamicznego Monte Carlo. Sundman. Automating firstprinciples phase diagram calculations. 5972-5978. K. E.

Knowing that the BeSe compound is characterized by a strong covalent bonding (Vèrié. This findings indicate that the phase separation occurs in the samples investigated. No. 2003). The investigations were focused especially on the wide-band gap II-IV semiconductors.. Bankowa 12. Raman scattering study of lattice dynamics in Zn1-xBexSe alloy has proved that the atomic distribution in the alloy is not uniform but the ZnSe rich and BeSe rich regions form (Pagès et al. Due to mismatch of unit cell volumes and different elastic properties of ZnSe and BeSe constituents the preparation of the Zn1-xBexSe alloy may demand special conditions. We have proved that below the room temperature the miscibility of ZnSe and BeSe phases is possible only in the narrow range of concentration near the x = 0 and 1. 40-007 Katowice. 2 PHASE DIAGRAM CALCULATIONS FOR THE ZnSe – BESE SYSTEM BY FIRST-PRINCIPLES BASED THERMODYNAMIC MONTE CARLO INTEGRATION ANDRZEJ WOŹNIAKOWSKI. 2013. INTRODUCTION The alloying of semiconductors with the aim of tuning the band gap energy to achieve the values expected for device’s application in recent past was the subject of extensive experimental and theoretical research (Berghout et al. Key words: clamping. At elevated temperatures the two phases are more capable to be mixed over the wider concentration range on the Zn-rich side of phase diagram.COMPUTER METHODS IN MATERIALS SCIENCE Informatyka w Technologii Materia ł ów Publishing House AKAPIT Vol. Presented results confirm the high quality of mapping of disordered alloy onto the lattice Hamiltonian... The calculated phase diagram shows the asymmetric miscibility gap with the upper critical solution temperature equal to 860 K (1020 K) when the lattice vibrations are included (excluded) in the free energy of the system.deniszczyk@us. 2010). 1997). University of Silesia. and references cited therein).pl Abstract The T-x phase diagram of Zn1-xBexSe alloy is calculated by means of ab initio method supplemented with the lattice Ising-like model cluster expansion approach and the Monte Carlo thermodynamic computations. JÓZEF DENISZCZYK* Institute of Materials Science. The IIIV ZnSe compound is one of the promising materials for light emitting devices operating at short wavelengths (green and blue range). Poland *Corresponding author: jozef. 2007. The knowledge of the T-x phase diagram might be very helpful in preparation of Zn1-xBexSe alloy. FEM 1. 2003). However. 13. However the dislocations.. The phase diagram of the Zn1-xBexSe alloy was the subject of theoretical ab initio study with the use of the common tangent ISSN 1641-8581 351 – 356 . Recent measurements have confirmed that the concentration of vacancies in Zn1-xBexSe alloy decreases with increasing concentration of Be atoms (Plazaola et al. point defects and their diffusion causes the degradation observed in the devices based on the ZnSe structures. groove rolling. the alloying of ZnSe with BeSe was proposed to increase the resistance of the ZnSe structure to defect generation (Plazaola et al.edu. what may indicate the presence of the immiscibility region in the (T-x) phase diagram of the alloy.

van de Walle et al. (per atom) is represented as a polynomial in the occupation variables given by equation (1): E     m J    i . in our phase diagram calculations we assume the B3-type structure for Zn1-xBexSe alloy for the entire concentration range. 1995). 1995. 2. All calculations were converged with respect to gamma centered k-point sampling. For each superstructure the vibrational free energy was calculated within the quasi-harmonic approximation. the bond-lengthdependent transferable force constant approximation was used. defined by equation (1) is controlled by crossvalidation score defined by equation (2) 2 1 n ˆ )2  CV    ( Ei  E  (i )  n i 1  1 (2) COMPUTER METHODS IN MATERIALS SCIENCE where Ei is an ab inito calculated energy of superˆ represent the energy of superstructure i. 1996b) using ultrasoft Vanderbilt-type pseudopotentials (Vanderbilt. Section 4 is the conclusion. The results are presented and discussed in Sec. 2. With this in mind. 1996a. Formation energies. Each superstructure was relaxed with respect to volume. van der Ven et al. 2007 ). 2002).. in the phase diagram calculations the formation enthalpy for only few concentrations was considered. while the average is taken over all clusters α′ that are equivalent to α by symmetry. The present work aims to extend the study phase stability of Zn1-xBexSe system to cover both the configuration formation enthalpy and lattice vibrations free energy contributions to the total free energy of the system. 1994.. The cluster expansion (Sanchez et al. The multiplicities mα indicate the number of clusters that are equivalent by symmetry to a divided by the number of lattice sites. The part of the free energy contributed by lattice vibrations was taken into account employing the coarse-graining formalism.. Garbulsky & Ceder.INFORMATYKA W TECHNOLOGII MATERIAŁÓW method of phase diagram construction (Berghout et al. COMPUTATIONAL DETAILS In the normal conditions the both end-member compounds. 3. In the approach only formation enthalpy was taken into account. The sum is taken over all clusters α that are not equivalent by a symmetry operation of the space group of the parent lattice. Be = 2s2.. 1993. 1996. The energy. Ozolinš et al. Typical wellconverged cluster expansion system contains of about 10-20 effective cluster interactions and requires the calculation of the energy of around 30-50 ordered structures (van de Walle et al. and a plane-wave energy cutoff of 350 eV was used which yields  values that are converged to within a few meV per atom. 2002. Total energy calculations were done using the Vienna ab initio Simulation Package VASP (Kresse & Hafner. which is recommended for difficult relaxation problems. neglecting the lattice vibration contribution to the free energy of the system. Kresse & Furthmüller. Luo et al. while E (i ) structure i obtained from CE (equation (1)) using the (n – 1) other structural energies. 1984) is a method to parameterize the energy of a material as a function of its configuration. In the subsequent text the computational details are presented in Sec. Valence electron configurations for the pseudopotentials are Se = 4s24p4. crystallize in the zincblend (B3) type structure (Karzel et al. Electronic degrees of freedom were optimized with a conjugate gradient algorithm. Furthermore. van de Walle & Asta. With this aim the theoretical research was undertaken aimed to determine the T-x phase diagram of Zn1-xBexSe alloy by ab-initio method supplemented with the Monte Carlo (MC) phase diagram calculations within the semi-grandcanonical ensemble. Within the approximation the nearest- – 352 – . The coefficients Jα of CE expansion (1) embody the information regarding the energetics of the alloy and are called the Effective Cluster Interaction (ECI). ZnSe and BeSe. 1998. E  E Zn1 x Bex Se  xE BeSe  1  x E ZnSe  were calculated up to 20 atoms per unit cell. 2002a... To reduce the computational time needed for obtaining phonon densities of states for a set of superstructures involved in the cluster expansion procedure.  i ' (1) where α is a cluster defined as a set of lattice sites. Zn = 3d104s2. 1998). 1990) with the generalized gradient approximation (GGA) for exchange and correlation.. 2002. The predictive power of cluster expansion. Based on the VASP results all remaining steps of the First Principles Phase Diagram (FPPD) calculations were performed with the use of Alloy Theo- retic Automated Toolkit (ATAT) software package (van de Walle & Ceder.. In the first step VASP calculations were used to construct cluster expansion (CE) Hamiltonian. supercell shape and atomic positions.

(1) using the ECI given in table 1.1) (1/2.. ½. 1) mined ab initio within the small (a) di. With increasing distance between sites and low crystal symmetry of superstructures both of cluster the values of pair ECI falls down in an alternative approaches demand high computing oscillatory manner. 3/2) (-1/2. and are not applicaFigure 1 shows the formation energies E (per ble in the phase diagram calculations.1. 1/2.670 0. 3/2) The bending and stretching (1. 2 the best cross-validation score s. j   b .1. 1.835 -0.1. Because of multiatomic composition cation sites. 3. The calculated and fitted energies (a) (a) di.002446 12 8.001169 expansion.910 -0. 0. that the largest ECI intromethod (Parlinski at al.1) 6 5.1) ness (b and s) constants calculated (1. RESULTS AND DISCUSSION COMPUTER METHODS IN MATERIALS SCIENCE . 1) (1/2.339 -0. Among multisite theory (Giannozzi et al.1.1) 1 Zero cluster 0.835 0.1) computational methodology and 3 2. 1. 2) one order of magnitude smaller (1. no intermediate  i. The bond stiff(1.002262 base on the force constants deter(-1/2. 1997) or the linear response duce the zero and point clusters.1. (3)   ground states was found. do not coincide precisely. 0.. individually for each clusters the largest ECI belongs to nearest neighbor superstructure.1) bond stiffness versus bond length 5 4. 2007) The phase diagram calculations were performed with the use of the Monte Carlo (MC) thermodynamic integration within the semi-grand-ensemble (van de Walle & Asta. 1. 3/2) 7 6. di. but ECI. 1) relationships for Se-Zn and Se-Be (1.001999 14 2.1. -1/2.j is the distance of the longest pair within the cluster displacement approach the for – 353 – neighbor force constant matrix as function of bond lengths (volume) was calculated for the endmembers SeZn and SeBe of Zn1-xBexSe series.INFORMATYKA W TECHNOLOGII MATERIAŁÓW The ab initio calculations were performed for the end-member compounds ZnSe and BeSe and 33 reference superstructures containing up to 20 atb  oms.j . 1. 0. what indicates a miscibils  ity gap system.006974 10 8.001201 (1/2. The Hamiltonian used in MC integration was of the cluster expansion form given by equation (1) with expansion parameters fitted to the formation enthalpy and vibrational free energy calculated by parallel computing. and the isotropic bending stiffness b. (CV = 0. Cluster Cluster Index Index eV/cation eV/cation besides the end-member comcoordinates coordinates Å Å pounds the residuals are at least (1. 2002b).012845 9 7.1. 1) sented in figure 2. 1. 1) (1.501 -0.003586 13 8.1. 3/2) (-1.1.000661 (-1/2. the force constant matrix is approximated by the diagonal form described by equation (3) (Liu et al. cation atom) calculated for all reference superstructures by ab initio (VASP) method Table 1. 1991). 1/2. Cluster coordinates and corresponding effective cluster interactions of clusters and using the cluster expansion taken into account in cluster expansion series defined by equation (1). 1) (-1. power and are time consuming. In the fitting procedure described in with only two independent terms: stretching stiffness Sec. For all remaining superstructures the force constant matrices were predicted using the relaxed bond lengths and the chemical identities of bonds in each superstructure and employing the bond stiffness versus bond length functions evaluated for end-member compounds. ECI. 2002). The cluster coordinates and correfree energy for each superstructure considered in the sponding effective cluster interactions are collected cluster expansion (1) is to apply the direct force in table 1.009 -0.j . 1/2.1.1) (1. In this procedure.019 -0.003786 11 8. It is evident.000586 nearest neighbor bonds are pre(0.944 -0.1.1) 4 4.965 -0.505 -0.505 0. 1) (-1.000852 (0.1) (1. 1) correct predictive power of CE (1.. All supercell energies are positive with re  spect to end-member compounds. This 2 Point cluster 0.1) than the values of E itself. (0.041703 8 6.1) (1.001199 (0. 3/2) result confirms the quality of (1.0051) was obtained for 14 clusters in the An alternative way to determine the vibrational expansion (1). called transferable force constant approach (van de Walle & Ceder. 0.

TC) = (0. The main feature of the calculated phase diagram is the presence of asymmetric miscibility gap with upper critical solution temperature (TC). However our detailed search for the structures with negative ground-state formation enthalpy failed. 3. 1020 K). Crosses indicate an ab initio data points and lines represent linear fits negligible although the recess visible on used in the calculations of the vibrational free energy. that the miscibilFig. The main effect of lattice vibrations is the shift of critical point to lower temperature (TC = 860 K). (2007) is much lower then our result. The critical temperature obtained within the restricted (to formation enthalpies) approach (TC = 1020 K) is significantly lower than the one Fig. Formation energies E calculated by VASP (cross) and obtained by Berghout et al. The asymmetry of the phase diagram. when taken into account. (2007). the phase diagram resulted from formation enthalpies solely is reduced slightly. fitted by cluster expansion Also the critical concentration (xc = 0. Calculated phase diagram based on the ECI fitted to the configuration formation enthalpy (dash line) and on the temperity gap between end--member compounds with ions ature-dependent ECI fitted to the sum of configuration and with very different ionic radius are asymmetric with vibration free energy (solid line). can be related to the mismatch of ionic radii of cation ions (Zn – 74 pm and Be – 41 pm). The asymmetric shape of calculated phase diagram might suggest the presence on the Zn-rich lefthand side of concentration range of some additional structure with the ground-state configuration energy lower than that of end-member compounds. The shape of our phase diagram differs noticeably from that calculated by Berghout et al. where no asymmetry can be observed. The higher critical concentration resulted from our calculations can be attributed to an asymmetry of the phase diagram (figure 3). An effect of viforce constants versus bond length for Se-Zn (left panel) and Be-Se (right panel) brations on the shape of phase diagram is bonds.54) found by Berghout et al. c) and bending b (figures b.65). a sequence of volumes of end-member compounds show the linear dependence on bond length. 2006).. 2.INFORMATYKA W TECHNOLOGII MATERIAŁÓW Figure 3 shows the phase diagram of Zn1-xBexSe alloy calculated on the base of temperature independent ECI (fitted to formation enthalpies) and temperature dependent ECI (fitted to the sum of formation enthalpies and vibration free energies). The critical concentration remains almost Fig. d) unchanged (xC = 0. – 354 – COMPUTER METHODS IN MATERIALS SCIENCE . indicating the enhanced miscibility of cation atoms on the Znrich side of phase diagram. 1. (2007) (TC = 1324 K). The arrows show the upper reduced solubility on the side of the diagram correcritical solution points. It is well known. The contribution to free energy of vibrational degrees of freedom. With only the configurational degrees of freedom taken into account our modeling yields the critical point (xc. sponding to the smaller ion (Burton et al. Nearest neighbor stretching s (figures a. modifies considerably the phase diagram (figure 3).69.

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Ceder. Rev. OBLICZENIA Z PIERWSZYCH ZASAD DIAGRAMU FAZOWEGO UKŁADU ZnSe–BESE METODĄ CAŁKOWANIA TERMODYNAMICZNEGO MONTE CARLO Streszczenie W pracy przedstawiono rezultaty badań teoretycznych stabilności fazowej roztworu stałego Zn1-xBexSe w zależności od temperatury i koncentracji składników.. Saarinen. Asta.. 52. 60-64. Firstprinciples study of the energy-gap composition dependence of Zn1-xBexSe ternary alloys.. Phys.. K. Tournie. Eng. Reniewicz. Rev. 2002a. Rev. GaN-InN.. H. 7892-7895. REFERENCES Berghout. 1998. 1996b. Defect characterization of ZnBeSe solid solutions by means of positron annihilation and photoluminescence techniques.Z. 67-72... S. 1998. H. 15-50. Vanderbilt. Gosh. Generalized cluster description of multicomponent systems. A. P.. 14251-14269. K.. Blaha. K. S.. Hafner. Obliczenia termodynamiczne oparte wyłącznie na części konfiguracyjnej energii swobodnej – 355 – COMPUTER METHODS IN MATERIALS SCIENCE . 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W podwyższonej temperaturze. 400 K < T < TC.69 i TC = 1020 K. Uwzględnienie drgań sieci daje obniżoną temperaturę krytyczną TC = 860 K (xC = 0.INFORMATYKA W TECHNOLOGII MATERIAŁÓW dają diagram fazowy z górnym punktem krytycznym: xC = 0. Prezentowane badania wykazały. 2012 COMPUTER METHODS IN MATERIALS SCIENCE – 356 – . Received: September 20.65). mieszalność faz ZnSe i BeSe jest możliwa również w roztworach Zn1-xBexSe o wzbogaconej zawartości cynku. że poniżej temperatury pokojowej mieszalność faz ZnSe i BeSe jest możliwa wyłącznie w wąskich zakresach koncentracji (x  0 oraz x 1). 2012 Accepted: November 30. 2012 Received in a revised form: November 19.

ul. good agreement with experimental data was achieved. strain rate and temperature obtained from FE simulation. magnesium alloys. due to their low density. ANDRZEJ ROSOCHOWSKI1. LECH OLEJNIK3 2 University of Strathclyde. Mickiewicza 30. Material is represented as a lattice of finite cells.01-0. In this work. No. al. many researchers have put an effort to obtain UFG magnesium alloys which. ANDRZEJ MILENIN2. equal channel angular pressing.COMPUTER METHODS IN MATERIALS SCIENCE Informatyka w Technologii Materia ł ów Publishing House AKAPIT Vol. It was reported that microstructure refinement during ECAP is controlled by dynamic recrystallization and the final mean grain size is dependent mainly on processing temperature. Narbutta 85. ultrafine grained metals. 75 Montrose Street. 2012). whose parameters are strain. A solution to this problem could be recently developed incremental variant of the process. which could be useful to estimate mechanical properties of the produced UFG metal. Svyetlichnyy. 02-524 Warszawa. Recently. Fitting and verification of the model was done using the experimental results obtained from I-ECAP of an AZ31B magnesium alloy and the data derived from literature. The interactions between cells describe dynamics of a simulated physical phenomenon. Key words: severe plastic deformation. Mathematical description of interactions is introduced by transition functions (transition rules). Since I-ECAP can deal with continuous billets. The developed CAFE model calculates the mean grain size and generates a digital microstructure prediction after processing. 2006. called the cellular automata space. Cellular automata finite element (CAFE) approach is ISSN 1641-8581 357 – 363 . However. United Kingdom AGH University of Science and Technology.com Abstract 1 Equal channel angular pressing (ECAP) is one of the most popular methods of obtaining ultrafine grained (UFG) metals. so called I-ECAP. cellular automata finite element (CAFE) method was used to investigate microstructure evolution during four passes of ECAP and its incremental variant I-ECAP. only relatively short billets can be processed by ECAP due to force limitation.5 s-1. An internal state variable model describes total dislocation density evolution and transfers this information to the CA space. 2010.. The CAFE simulation results were verified for the temperature range 200-250 °C and strain rate 0. 30-059 Kraków. Cellular automata finite element (CAFE) method Cellular automata (CA) technique is used in material science to provide digital representation of material microstructure and simulate its evolution during processing (Das. cellular automata finite element method 1. *. Poland *Corresponding author: michal. Madej et al. 2013. INTRODUCTION 1. it can be widely used in industrial practice. The cellular automata space dynamics is determined by transition rules. The current state of each cell is determined by the state of its neighbours and its own state in the previous step. Glasgow G1 1XJ. 13. are very promising materials for weight and energy saving applications.gzyl@gmail. 2 MODELLING MICROSTRUCTURE EVOLUTION DURING EQUAL CHANNEL ANGULAR PRESSING OF MAGNESIUM ALLOYS USING CELLULAR AUTOMATA FINITE ELEMENT METHOD MICHAL GZYL1. Poland 3 Warsaw University of Technology.1.

which have the same cross section (circular or rectangular) and intersect at an angle that usually varies from 90° to 135°. microstructure evolution during ECAP and its incremental variant is modelled using cellular automata finite element (CAFE) technique. The internal state variable method (Pietrzyk. the process can be repeated in order to accumulate a desired high strain. Then. which reduces the feeding force dramatically. Otherwise. a billet is pushed through a die with two channels. are very promising. is used to describe changes that occur in the micro scale during plastic deformation. They also introduced a ‘critical grain size’ term in order to explain that homogenous grain size distribution is possible to achieve only if the initial mean grain size is small enough. This is the combination of micro scale modelling using cellular automata and finite element (FE) analysis. Equal channel angular pressing and its incremental variant 1. In the ECAP process. Due to force limitation only relatively small amount of material can be processed at each stage. This hypothesis is based on the occurrence of a bimodal microstructure after ECAP processing. Since the billet dimensions remain unchanged. In I-ECAP. Lapovok et al. The cellular automata (CA) space plays a role of digital material representation in meso scale. artificial grains are represented by CA cells. Microstructure evolution is described by transition functions. 2002). 2007. The advantages of using multi scale simulation approach are evident.2.INFORMATYKA W TECHNOLOGII MATERIAŁÓW the example of a multi scale modelling approach. That is the reason why ECAP is not widely used in industrial practice. Random pentagonal neighbourhood and absorbing boundary conditions are used to define CA space and its dynamics. strain rate and temperature (mapped from FE nodes). the same as in classical ECAP. MODEL DESCRIPTION 2. The change of dislocation densi- – 358 – . 2008. The mode of deformation is simple shear. which occurs at the channel intersection. the stages of material feeding and plastic deformation are separated. 2009). the newly formed recrystallized grains are not able to fully consume the initial coarse grains. when feeding stops and the billet is in the fixed position. Microstructure evolution during ECAP of Mg alloys COMPUTER METHODS IN MATERIALS SCIENCE In order to improve mechanical properties of magnesium and other metals many thermomechanical processes have been proposed.1. especially when ultra fine grained materials are considered.. Plastic strain is introduced into metal by simple shear. Recently. Increase in dislocation density is caused by storage of dislocations while decrease in dislocation density results from annihilation of dislocations. Equal channel angular pressing (ECAP) was developed by Segal (1995). the billet is fed by a small increment. This observation was made earlier by other researchers (Janeček et al. Figueiredo and Langdon (2010) presented a model. Dislocation density evolution Evolution of dislocation density during hot metal forming is controlled by two competing processes: strain hardening and thermal softening caused by recovery or recrystallization. Dislocation density in each cell controls the nucleation process. whose parameters are the macro scale integration point variables obtained from FE simulation: strain. the punch approaches and plastically deforms it. incremental ECAP (IECAP) has been developed by Rosochowski and Olejnik (2007). Severe plastic deformation (SPD) processes. which treats dislocation density as a material variable. the most popular method of metal forming simulations. When the punch moves away from the die.2. Ding et al... The tool configuration consists of a punch working in a reciprocating manner and a die leading and feeding the material in consecutive steps. 2. cellular automata transition rules usually used to describe DRX during hot forming of metals are applied in the presented model.3. By using the CAFE method not only the mean grain size but also microstructure homogeneity and grain size distribution can be calculated. 1. 2. Therefore. Overview In the present work. which states that the mechanism of grain refinement during ECAP processing of AZ31 magnesium alloy is dynamic recrystallization (DRX). in which a very large strain is imposed to the material to refine its grain microstructure and improve its strength.

38 b. are illustrated in figure 1. This is a simplified form of the formula introduced by Roberts and Ahlblom (1978): T p2   crit  p1   1/ 3 (2) where: γ – grain boundary energy.01 s-1 based on these parameters. 2000): d iCA  d iCA  d iCA  A1 M  Q2  CA Q   exp 1 d iCA  A2  iCA   d i 1 exp  b  RT   RT  (1) 2. 2004). the equation (2) is used to calculate critical dislocation density.  fective strain rate. 2010) 21 M. Q1 – effective activation  – efenergy. dε– effective strain increment. 2003). A1.. Decrease in dislocation density is dependent on temperature as dislocation annihilation is characterized as thermally activated process (Madej et al. which describe how each CA cell state changes depending on its own and its neighbour state after the previous time increment. Mathis et al. 2006) Fig. Dislocation density evolution at 200 °C and strain rate 0. Q2 – apparent energy.INFORMATYKA W TECHNOLOGII MATERIAŁÓW ty due to strain increment is described by the equation (1) (Sellars and Zhu. 2006). new grains cannot be consumed by other recrystallized grains. 2002. 2006) 2.32 . Wang and Huang (2003) showed the relation between crystallographic orientation and texture component in hcp metals. Grain boundary energy is dependent on the misorientation angle between neighbouring grains and is evaluated from the equation derived by Read and Shockley (1950) for low angle grain boundaries.. grain grows until its virtual energy related to its grow potential is greater than zero. Following these arguments. Parameters of equations (1) were derived from literature (table 1).85e3 A2 30 Q2. Orientation of each grain is described by three Euler angles: φ1. (Chino. privileged areas for the dislocation density rise are grain boundaries and their vicinity (Galiyev et al. dislocation accumulation is more probable for grains with orientation closer to basal than prismatic or – 359 – COMPUTER METHODS IN MATERIALS SCIENCE 0.. Misorientation between neighbouring grains is calculated using a method presented by Zhu et al. Q1.3. φ2 (Bunge notation). A critical value of dislocation density in a CA cell must be reached to create a new grain nucleus in this cell. Parameters of dislocation density evolution equation (1). Table 1. p1. p2 – fitting parameters (table 2).  iCA 1 – dislocation density at previous strain increment. (2000). for high angle grain boundaries it is kept constant. b – Burgers vector. Dislocation density dependence on strain at 200°C and strain rate equal to 0. nm (Chino. T – temperature. kJ/mol (Barnett. Φ. Fitting coefficients were determined using Hooke-Jeeves optimization method. together with experimental results obtained for pure magnesium in similar conditions (Klimanek & Poetzsch. The nucleation process will be favoured where the level of stored energy is higher comparing to other areas. 1. R – gas constant.  cell changes its state to recrystallized when one of its neighbours is recrystallized. Since the slip on basal plane is the most favourable deformation mechanism for magnesium. A1 3. Cellular automata space evolution where: M – Taylor factor. The presented approach is similar to the model developed by Mecking and Kocks (1981) where dislocation density evolution is also introduced as competition between dislocations storage and annihilation.01 s-1. 2003) 147 Microstructure evolution during processing is modelled using transition rules. kJ/mol (Das. A2 – fitting parameters. The CA space dynamics can be described by the following rules:  cell becomes the site of nucleation when its dislocation density exceeds a critical value.

As the new grain grows its energy is being lowered.004261 3. Since mean DRXed grain size is dependent mostly on temperature. 4. Evolution of N is given by equation (3):  p4 nd 5 exp( p 6T ) N  p 3 p waveform with frequency 0.01-0. Route BC was used.06699 p6 -0. The same conditions as during I-ECAP experiment were used in simulation. The mean grain size obtained after I-ECAP processing was equal to 6. based on the readings obtained from a thermocouple located near deformation zone. (2007). coarse grains were surrounded by smaller ones (figure 2a). 225 and 250°C and strain rate within range 0.092 p7 1.  – misorientation angle. Since grain boundaries are prevailed areas for nucleation. AZ31B billets and dies were heated up to 250°C using electric heaters. grain growth energy is the function of temperature and misorientation angle. twinning was not revealed in microscopic observations. the total dislocation density increment is divided by a number of randomly chosen cells N. In this condition. p5. The simulated microstructure was similar to the real one and the predicted grain size was 6. A motor driven screw jack was controlled using National Instruments hardware and software (LabVIEW). Simulations were performed for temperatures: 200. 2008). A die with 90° angle between channels was used to conduct four passes of I-ECAP. Processing at elevated temperatures is being simulated. p6 – fitting parameters.. In order to investigate temperature and strain rate effect on the final mean grain size and microstructure homogeneity. Grain growth rate is associated with virtual energy assigned to each new nucleus. The process is stopped when the grain growth energy is equal to zero. p8 – fitting parameters. which extrinsic dislocation density will be increased. the grain has no potential for further expansion. which resulted in the total strain of 4. The grain growth energy is introduced using an empirical equation (4): E grain  p 7 exp( p8T )10 /   0.1463 p8 0. Parameters of CA space evolution equations (2-4). Table 2.6. COMPUTER METHODS IN MATERIALS SCIENCE p1 4. CA microstructure evolution calculations and visualisation were performed using a self-developed software. A double-billet variant of I-ECAP was realised using a 1 MN hydraulic servo press (Rosochowski et al. what could be attributed to DRX during hot extrusion of supplied p5 1.094 (3) where: N – number of cells with increased extrinsic dislocation density. nd – number of grains in CA space. p4. additional experimental results obtained for different process parameters were derived from literature (table 3). The initial microstructure of I-ECAP processed material was heterogeneous. At each time step. The billets were fed using a screw jack whose action was synchronised with the reciprocating movement of the punch.7  gg (4) where: T – temperature.5 Hz and amplitude equal to 1. more new nuclei are expected to occur when there are more grains in the CA space. p7. CA space dimensions were 400 x 400 cells. EXPERIMENTAL PROCEDURE Commercially extruded AZ31B magnesium rods with 17 mm diameter were machined using the EDM cutting technique in order to obtain bars with square cross-section 10 x 10 mm2 and length equal to 100 mm. Strain rate values during both processes were significantly different.6677e18 p4 0. therefore twinning is not taken into account. p3. Temperature during processing was kept constant within ±2 °C.0756e70 p2 -31. The punch movement followed an externally generated sine rods. – 360 – . The feeding stroke was equal to 0.5 s-1. The parameter is dependent on temperature and strain rate obtained from FE simulation.4176 p3 0. which meant that after each pass the billet was rotated by 90°.8 mm.2 mm.3 µm (figure 2d). it corresponded to 100 x 100 µm2 area of real material. Moreover. which could indicate that processing temperature has a dominant effect on the final grain size. RESULTS FE simulations were run using Abaqus/Explicit commercial software.INFORMATYKA W TECHNOLOGII MATERIAŁÓW pyramidal one. The corresponding digital representation of asreceived material was obtained by uniform grain growth and simulation of DRX (figure 2b).15 µm (figure 2c) what is similar to the results obtained by Suwas et al.

corresponding simulation results in (b) and (d).3 0. coarse grains and few smaller grains were observed (figure 4a).7 µm. After 4 passes at 200°C the grain size was reduced to 1. (2009). respectively. (2006) was equal to 15. ° 90 120 120 90 grains (figure 4c). °C I-ECAP (this work) Ding et al. 4. The initial microstructure and its digital material representation are shown in figure 3. Microstructure images of as-received material (a) and after 4th pass of ECAP at 200 °C (c) obtained by Ding et al. The initial mean grain size was 7. (2009) conducted ECAP of AZ31 magnesium alloy at 200°C and 225°C using a die with 120° channel angle.5 0. Grain refinement is limited by a temperature. A significant grain refinement is observed after first pass but it is not sufficient to refine the coarse grain dominated microstructure. c) d) Fig. (2006). The initial mean grain size of the material processed by Jin et al. As a result.25 µm. (2009) Ding et al.4 µm. Ding et al. respectively. s-1 0. After first pass at 225°C. it is – 361 – COMPUTER METHODS IN MATERIALS SCIENCE . Initial temperature. 2.01 Channel angle. Only grains smaller than ~15 µm can be fully recrystallized during first pass of ECAP at 200°C. a) b) a) b) c) d) Fig.8 µm. coarse grains were surrounded by colonies of very small a) b) c) d) Fig.INFORMATYKA W TECHNOLOGII MATERIAŁÓW Table 3. the same as the average grain size of CA representation. Results obtained from the developed CAFE model are in good agreement with experimental data (figure 5). The mean grain size calculated using developed model was equal to 2.6 µm. A digital material representation was generated using non-uniform grain growth: 80% of grains grew slower than others and the mean grain size was 15. The mean grain size after first pass was measured to be 4.2 µm.3 0. corresponding simulation results in (b) and (d). 3. Microstructure images of as-received material (a) and after 4th pass of I-ECAP at 250 °C (c). (2009) Jin et al. The microstructure obtained after 4 passes at 200°C and the corresponding results of modelling microstructure evolution are shown in figure 3 as well. The interior of coarse grains was not consumed during DRX process.1 µm while the model predicted 4. while experimental result was 2. respectively. Microstructure images of as-received material (a) and after 1st pass of ECAP at 225 °C (c) obtained by Jin et al. Simulations parameters. the microstructure was less homogenous than at 200°C. Further deformation is needed to refine and homogenize a microstructure. The mean grain size after first pass depends strongly on the initial microstructure.8 µm while the model predicted 1. (2006) 250 225 200 225 Strain rate. heterogeneous grain size distribution is obtained.2 µm. When processing at 225°C. corresponding simulation results in (b) and (d).

FEM simulation of incremental shear. M.. L. Evolution of crystallographic texture during equal channel angular extrusion (ECAE) and its effects on secondary processing of magnesium. 53-62. 5. Zhu. Former were derived from literature. 287–318. Grain refinement and mechanical behavior of a magnesium alloy processed by ECAP. 2000. 52. Kinetics of flow and strainhardening. Rosochowski. Continuous Dynamic Recrystallization in Magnesium Alloy. Axt. Lee. 503-508. 2007... Res. Mater. H. 40A. 78. L. 2007. Hellmig..B. Microstructure evolution of AZ31 Mg alloy during equal channel angular extrusion. Krieger. Materials processing by simple shear.. Recrystallization during and following hot working of magnesium alloy AZ31... Kaibyshev. 2002. Y..R. further processing leads to microstructure homogenization. Y. 2004. 2889–2894.. A.. P. R.. A nucleation criterion for dynamic recrystallization during hot working. eds.125-126. Das.M. 47.. T. M. Kocks. Materials Science and Engineering A. A.G. Mecking.. Materials Science and Engineering A. 116–120.. P.. Suwas. Arch Comput Methods Eng.G. Jin. 423. Pietrzyk.P. The model correctly predicted both the mean grain size after subsequent passes of ECAP/I-ECAP and microstructure homogeneity. 16.... Esaform 2007. C. M. Galiyev. 1950. Dislocation Models of Crystal Grain Boundaries. Chinesta. Rosochowski. R.. P. 139-144. 2008. Modeling mixed microstructures using a multilevel cellular automata finite element framework.. Cueto. Q. D. Materials Science and Engineering A. 471. M.J. 419-422. G. Acta Materialia. Enhanced Superplasticity in a Magnesium Alloy Processed by Equal-Channel Angular Pressing with a BackPressure. Lapovok. 324. 4827–4836. 1981.. Estrin. U. Materials Science and Engineering A. 462. S.. 247-252. Richert. CONCLUSIONS COMPUTER METHODS IN MATERIALS SCIENCE A multi scale CAFE approach was developed in order to model microstructure evolution during equal channel angular pressing. Poetzsch. 2009. 21. Proc.. M. Lukac.G... M. Acta Metallurgica. Olejnik. M. K. T. 419-422. Numerical results were verified using experimental data from conventional and incremental ECAP... The evolution of non-basal dislocations as a function of deformation temperature in pure magnesium determined by X-ray diffraction. P... Pietrzyk. Olejnik. 2008... 157-164. Computations were performed for various temperatures and strain rates that are typical for processing of magnesium alloys. T. Popov. Effects of Processing Parameters on the Grain Refinement of Magnesium Alloy by Equal-Channel Angular Extrusion. Dragomir-Cernatescu.. 1-7.. Chino. 2003. Microstructure evolution under compressive plastic deformation of magnesium at different temperatures and strain rates. L. Journal of Materials Science. J... Acta Metallurgica. Y. S. Phys. 2006. Ungar. Shockley. Roberts.. Mathis. Langdon.. 2006. Metallurgical and Materials Transactions A. E. Janeček. 275–289. Acknowledgements. Ahlblom.. Mechanical properties of AZ31 Mg alloy recycled by severe deformation. A.. B. 2003. Svyetlichnyy. Advance Engineering Materials.V. Chen.. Sellars.. Although smaller grain size cannot be obtained at given temperature. Fig. X.F.W.. 2006. A..D. 2010. R. A. B. 509-514. 653-658. Hodgson. 584-586. R. Madej.. Microstructural modelling of aluminium alloys during thermomechanical processing.. 1865-1875.. 5. Future work will be focused on modelling grain reorientation due to deformation by simple shear.INFORMATYKA W TECHNOLOGII MATERIAŁÓW shown that the mean grain size as small as 2 μm can be obtained at 200°C.. Ding. 1995.. Langdon. 2007. D. 1978.. 801-813. J. 26. Kumar. T... S. 280. Kao. W. Sakai. W. R. Estrin. 2002. Materials Science Forum. Mean grain size obtained from experiments and CAFE simulations. Figueiredo. Zeng. In particular. Rev. 197. Development of the Multi-scale Analysis Model to Simulate Strain Localization Occurring During Material Processing. Lin. Chang. F.. Double-Billet Incremental ECAP. V. latter was obtained from I-ECAP experiment. Segal. Popov. K. 2012. Materials Science Forum. Zaragoza. a heterogeneous grain size distribution after first pass of ECAP for initially coarse grained microstructure was predicted as well as its further homogenization. S.. 1– 14. Through-process modeling of microstructure evolution in hot forming of steels. 754-760. Mao.. 705-711. Mechanical properties and microstructure of a Mg alloy AZ31 prepared by equal-channel angular pressing. 415-425.. Gottstein. Nyilas. Journal of Materials Processing Technology. Computational Materials Science. C. Reorganization of cellular space during the modeling of the microstructure evolution by – 362 – . Hoshika. 429-433.. Materials Science Forum. D. 45. Materials Science and Engineering A.. 29.. Ding. REFERENCES Barnett. 145-150. 2010. M. L. Materials Science and Engineering A. W. Conf. Read.. Klimanek.-S. Spain.X... W. 10. I. Financial support from Carpenter Technology Corporation is kindly acknowledged. T..M. T.

G. może on znaleźć szerokie zastosowanie w praktyce przemysłowej. uzyskano bardzo dobrą zgodność z wynikami eksperymentalnymi. Y. 153–162.. których parametrami są odkształcenie. – 363 – COMPUTER METHODS IN MATERIALS SCIENCE . Y.01-0. Texture analysis in hexagonal materials. Computational Materials Science. W niniejszej pracy sprzężona metoda automatów komórkowych i elementów skończonych (cellular automata finite element – CAFE) została wykorzystana do opisu rozwoju mikrostruktury podczas czterech przejść ECAPu i jego inkrementalnego wariantu. Mao. I-ECAPu. 42. prędkość odkształcenia oraz temperatura – uzyskane z symulacji metodą elementów skończonych. Model zmiennej wewnętrznej opisuje wzrost całkowitej gęstości dyslokacji i przekazuje tę informację do przestrzeni automatów komórkowych. J. Ze względu na to. Calculation of misorientation distribution between recrystallized grains and deformed matrix. 81. Wang. Dopasowanie oraz weryfikacja modelu zostały wykonane przy wykorzystaniu wyników uzyskanych z przeprowadzonego procesu inkrementalnego ECAPu stopu magnezu AZ31B oraz danych literaturowych.INFORMATYKA W TECHNOLOGII MATERIAŁÓW frontal cellular automata. Opracowany model CAFE oblicza średnią wielkość ziarna oraz generuje cyfrowy obraz mikrostruktury. że mechanizm rozdrobnienia ziarna podczas ECAPu jest sterowany przez proces rekrystalizacji dynamicznej. 2012 Accepted: November 21. W. N. 2012 MODELOWANIE ROZWOJU MIKROSTRUKTURY PODCZAS RÓWNOKANAŁOWEGO WYCISKANIA KĄTOWEGO STOPÓW MAGNEZU PRZY UŻYCIU METODY CAFE Streszczenie Równokanałowe wyciskanie kątowe (equal channel angular pressing – ECAP) jest jedną z najpopularniejszych metod otrzymywania ultra drobnoziarnistych metali. że przy użyciu I-ECAPu mogą być przetwarzane nieskończenie długie elementy. 2000. 60. Jednak z powodu dużych sił potrzebnych do przeprowadzenia procesu. Yu. 2012 Received in a revised form: November 4. Rozwiązaniem problemu może być opracowany inkrementalny wariant tego procesu.... 37–41. Huang. co może być przydatne w wyznaczaniu własności mechanicznych otrzymanego materiału. Mechanizm rozdrobnienia ziarna podczas przeróbki plastycznej stopów magnezu różni się znacząco od metali takich jak aluminium lub miedź i ich stopy. a ostateczna średnia wielkość ziarna jest zależna głównie od temperatury procesu. Ostatnie wyniki wskazują. Materials Chemistry and Physics. Dynamika zmian w przestrzeni automatów komórkowych jest determinowana przez reguły przejścia. tzw. 11–26. Zhu..5 s-1. 2003. Wyniki symulacji metodą CAFE zostały zweryfikowane dla zakresu temperatur 200-250°C oraz prędkości odkształcenia 0. tylko relatywnie krótkie wstępniaki mogą być wyciskane. I-ECAP. Scripta materialia.C. Received: September 20.

1947) always accompanies interdiffusion. a number of fundamental questions still remains to be answered. weld junctions. AGH University of Science and Technology. so that two (or more) "Kirkendall planes" can be expected? (van Dal at al. could the inert particles placed at the initial contact interface migrate differently in the diffusion zone. The bi-velocity method (Darken method) base on the postulate of the unique transport of the mass due to diffusion. Is the Kirkendall plane unique? In other words. 2013. These diffusion-induced processes are of concern in a wide variety of structures including composite materials.. 2007. Gusak. 2) different partial molar volumes of components. Key words: kirkendall plane. FMSci&C.. 2001. The Kirkendall effect (Smigelskas & Kirkendall. the development of porosity. The rationalization and formal description of the Kirkendall effect are by no means trivial. The method based on the rigorous mathematical derivation of mass. While the Darken's treatment of diffusion has withstood the test of time. the migration of inclusions inside the diffusion zone. 30-059 Kraków.edu. A list of examples include: (i) multiple Kirkendall planes (bifurcations). However the existing methods dealing with Kirkendall trajectories do not quantify the bifurcations. momentum and energy conservations (Danielewski 364 – 367 ISSN 1641-8581 . It is shown that the method allows for calculation the trajectory of the Kirkendall plane in binary diffusion couples. both experimental characterization and computer simulations have revealed many new phenomena that are not yet fully explained by existing theories and models. The method deal with the 1) composition dependent diffusivities.pl Abstract In this study some aspects of Kirkendall and lattice plane migration in binary diffusion couples are studied by means of numerical simulations by bi-velocity method. 2001). No. the efforts directed to- wards its implementation into physics and thermodynamics are far from being accepted. (ii) stability of individual Kirkendall plane. manifests itself in many phenomena. interdiffusion. 1990). 3) the stress field during the diffusion process and 4) entropy production. bi-velocity method. Experiments confirm that the “fiducial markers” may have different trajectories. trajectory 1. 1990).. Regardless of intensive work in this field. INTRODUCTION In recent years. 13. 2 THE MIGRATION OF KIRKENDALL PLANE DURING DIFFUSION BARTEK WIERZBA Interdisciplinary Centre for Materials Modelling.. Poland *Corresponding author: bwierzba@agh. trifurcations. coatings. The reason may be attributed to the inherent experimental difficulties involved in the measurement of material velocities. Mickiewicza 30. and (iii) discontinuity of the Kirkendall velocity at moving interphase boundaries (van Dal at al.COMPUTER METHODS IN MATERIALS SCIENCE Informatyka w Technologii Materia ł ów Publishing House AKAPIT Vol. 2010). generation of stress and in plastic deformation of the material. thin-film electronic devices (Boettinger at al. The bi-velocity method is a generalization of Darken method of interdiffusion.. Al. van Loo at al. nonstability and discontinuity (van Loo at al.

1889. 2 . 2010). the pressure evolution can be approximated from dilatation of ideal crystal: dp E   2    i i M i id  . The method is limited to the axiatoric part of the stress tensor only. s. The first two methods base on the drift velocity and its integral the last method assumes that the position of the Kirkendall plane is defined by the local maximas of the entropy distribution. j. Gusak. J id   i id . of the mixture can be defined:  drift     i i M iid . the drift velocity can be rewritten in the following form:    M  i 1 i i i 2 d i   drift   0 . (2)  s    i si . Assuming the time independent external forcing (V ext t  0) . The density i is related with concentration. The diffusion flux. 2. Thus. i = j i. t x where i is the mass density. Tsi  ui  ich   i M i p and J id  ciid  ci Di  ch  i   i p  . energy and entropy densities in multicomponent systems. The method can be used when the gradient of the mechano-chemical potential (from fairly well known thermodynamic properties) and diffusivities as a function of concentrations (from measured tracer diffusivities) are known.   dt 3 1  2v  x  i 1  (5) where E and v are the Young modulus and Poisson ratio. 2010) The core of the bi-velocity method is the mass balance equation: The pressure.e. (3) The drift velocity. ich is the chemical potential..  drift . p denote the pressure field acting on the components. i 1 2 (4)  drift    c11d  c2 2d  (7) – 365 – COMPUTER METHODS IN MATERIALS SCIENCE . and J drift i (1) denote the diffusion and drift flux. 2) the "trajectory method" and 3) "entropy approximation". i. The overall internal energy. 2004. It allows to calculate the densities. Mainly. 2010). Planck. J d i  id   drift  ui d drift  ui i   i i     i ci p t x x (6) where ui denote the internal energy. generated during diffusion process is described by the Cauchy stress tensor. The purpose of this paper is to use the bi-velocity method to calculate the Kirkendall trajectory (position of the Kirkendall plane). of the mixture can be calculated from components counterparts  u  i  1. RESULTS In this paper the three different methods of calculation of the position of Kirkendall plane in the binary A-B diffusion couples are shown and compared. i = Mici. respectively. respectively. The "curve method". The Kirkendall velocity can be calculated from the drift velocity. u. i 1 i i 2 Finally.INFORMATYKA W TECHNOLOGII MATERIAŁÓW & Wierzba. THE BI-VELOCITY METHOD (DANIELEWSKI AT AL. The differential form of VCE follow: 3. RT x i  1. drift velocity. in a case when no external forces are considered is given by the Nernst-Planck equation (Nernst. when diffusion is not negligible can be calculated from partial GibbsDuhem relation. i 1 2 where id denote the diffusion velocity. The bi-velocity allow also to calculate the energy and entropy conservations. R and T are the gas constant and temperature. 1890):  u . the rotations of the system are neglected (rot υ = 0). equation (4). the internal energy conservation law becomes:  i     J id  J idrift  . 2 . respectively. Di the intrinsic diffusion coefficient and i and Mi are partial molar volume and molecular mass of the i-th component. p. 1) the "curve method" (Aloke. To calculate the drift flux the Volume Continuity Equation (VCE) is used. Assuming the diffusion process in the binary system and that the partial molar volumes are constant and equal. the entropy.

The position of the Kirkendall plane can also be calculated by following the marker during the diffusion process. "The trajectory method".INFORMATYKA W TECHNOLOGII MATERIAŁÓW From Euler theorem the overall molar volume equal to the inverse of the overall concentration. Thus:  K   drift  0. a) The concentration profile in binary A-B diffusion couple. Substituting equac tion (2) the drift velocity in a binary system when pressure filed is neglected can be rewritten in the following form: where K is the positions of the Kirkendall plane at time t = t*. The data used to calculate the diffusion process are presented in table 1. i. the Kirkendall plane is a plane of initial contact moving at parabolic dependence. The position(s) of the Kirkendall plane(s) can be found at the point of intersection(s) between the drift velocity curve and the straight line calculated from equation (11).e. equation (12).   1 c . t  dt t1 t2 (12) When the ideality sweeping statement is assumed. Figure 1 shows the comparison of presented above methods of calculating the position of Kirkendall plane. COMPUTER METHODS IN MATERIALS SCIENCE Fig. The comparisons of the position of Kirkendall plane (vertical line) by different calculation methods: b) velocity curve.  drift D  ch D  ch  N1 1 1  N 2 2 2 RT x RT x ch i (9) xK  t2     drift  xK  t1  . t   dx xK  dt 2t (11)  drift  N   N  d 1 1 d 2 2  (8) where the molar ratio. N i  ci . 1. – 366 – . c) trajectory and d) entropy bi-velocity method.   ln ci  RT thus the drift velocity x x has its final form:  drift   D1  D2  N1 x (10) In a diffusion controlled interaction. In this studies it is postulated that the local maxima's calculated on the entropy distribution curve shows the positions of Kirkendall planes (the most favored places) in the diffusion couples. "The entropy approximation". thus the position of the Kirkendall plane: In each time the new position of the Kirkendall plane is calculated.

. E. The examples presented in this work show that the entropy curve can be used to approximate the position of the Kirkendall markers when the diffusion coefficients are composition dependant. M. C. 4. 171. 130-142. A.. Ber die potentialdierenz zwischen zwei verdnnten lsungen binrer elektrolyte. M. Phys. że metoda pozwala na poprawne wyznaczenie położenia płaszczyzny Kirkendalla podczas procesu dyfuzji w układach dwu-składnikowych. Die elektromotorische Wirkamkeit der Ionen. Diffusion-controlled Solid State Reactions In Alloys.INFORMATYKA W TECHNOLOGII MATERIAŁÓW Table 1. 38. J. This work has been supported by the National Science Centre (NCN) in Poland. A. The method based on the postulate that each component’s velocity  i must be divided into two parts: id the unique diffusion velocity. 4. Wierzba. E. Mater. Cserhati. A. Algorytm obliczania trajektorii płaszczyzny Kirkendalla pozwala również na wyznaczenie: 1) stężeń składników.. 2012 Accepted: : December 12.. B. A. Proc. 2010. R. The method effectively deals with (1) composition dependent diffusivities. 58. M. G. thickness. Metoda dwu-prędkości jest uogólnieniem metody Darkena. J. 2012 – 367 – COMPUTER METHODS IN MATERIALS SCIENCE .. R.. M. A. Annu Rev Phys Chem 40. Trans. KRYTERIA EWOLUCJI PŁASZCZYZNY KIRKENDALLA PODCZAS PROCESU DYFUZJI Streszczenie W artykule zaprezentowana została metoda dwu-prędkości pozwalająca na wyznaczenie ewolucji płaszczyzny Kirkendalla podczas procesu dyfuzji. W. 1990. Zinc Diffusion in Alpha Brass. Figure 1 shows a) the concentration profile and comparison of the calculation of Kirkendall plane where different methods were used: b) the velocity curve. J. Eindhoven Boettinger. Received: October 25. 86. van Dal. Gusak. The data used in simulations of diffusion in binary A-B diffusion couple. 17691779. T = 1273K. t = 36000 s. P.. and Nanosystems. 2007. 1947. 2010. (3) the stress field during the diffusion process and (4) entropy production. J. B.. Guyer. Computation of the Kirkendall velocity and displacement fields in a one-dimensional binary diffusion couple with a moving interface. (2) different partial molar volumes of components. 2) prędkości dryftu. H. Figure 1 shows that the three presented methods give similar results when only one position of the Kirkendall plane is expected. Chem. W. c) trajectory method and d) entropy bi-velocity method in a binary A-B diffusion couple. Smigelskas. decision number DEC-2011/03/B/ST8/ 05970. Kodentsov.. Technische Universiteit Eindhoven. Nernst. CONCLUSIONS The bi-velocity method for interdiffusion allows quantitative and qualitative description of the mass transport process in binary systems. Lett.. 2004. which depends on diffusion potential gradient and is independent of the choice of the reference frame. Z. pędu oraz energii. Microstructural Stability of the Kirkendall Plane in Solid-State Diffusion. allows to calculate the position and trajectory of the Kirkendall planes during diffusion process. Rapp. Acknowledgments. Pokazano. 1889. common for all components. 6717-6727. 463. Campbell. Thin Films. M... van Loo. Planck.. J. Interface migration and the Kirkendall effect in diffusion-driven phase transformations. J. Rev. Phys. Acta Mat. F. Opiera się ona na całkowych prawach zachowania masy. Danielewski. Acta Metall. C. Pieraggi... 3347-3373.. AIME.D. Kirkendall. B. The Kirkendall effect in solid state diffusion. The model was applied for the modeling of the trajectory of the Kirkendall planes in a binary diffusional couples. 1890. Weinheim. E.. 3352-3355. van Loo F. McFadden. Gusak. 3) energii oraz 4) produkcji entropii w wieloskładnikowych fazach skondensowanych. A. Thermodynamically consistent bi-velocity mass transport phenomenology. and the drift velocity  drift . The drift velocity. 2012 Received in a revised form: November 21. A. 2001. J. The software CADiff available from author.02 cm A diffusion coefficient [cm2 s-1] NA·10-10 B diffusion coefficient [cm2 s-1] 10-10 REFERENCES Aloke. 129-140 (in German). Soc. Wiley-Vch Verlag GmbH & Co. The presented simulation results were calculated using the bi-velocity method. d = 0. 561-576 (in German).

periodic microstructure modeling 1.. No. but the grain morphology predicted by the 2d model still differs from experimental findings. D-52056 Aachen. Key words: static recrystallization. 2008). is calculated using a crystal plasticity finite element (CP-FEM) formulation. the flow stress and the final product properties. THOMAS HENKE1. influences the microstructure evolution. dislocation density or even strain. RWTH Aachen. However. 2013. The microstructure is modeled by a representative volume element (RVE) of a homogeneous austenitic grain structure with periodic boundary conditions. Calculation strategies based on Monte Carlo Potts (Raabe. Germany *Corresponding author: bambach@ibf.de Abstract In multi-step hot forming processes. commonly used models such as those proposed by Sellars (1990) lack spatial resolution. BERND BÖTTGER2. GERHARD HIRT1 1 Institute of Metal Forming. Under these assumptions. They disregard effects of grain topology. misorientations and local accumulations of deformation. Operating on the macro-level. cellular automata (Gawad et al. The deformed grain structure (dislocation density. multi-phase field method. Static recrystallization (SRX) is one of the most dominant mechanisms during inter-pass periods of hot rolling or forging processes and it is a common practice to model its kinetics using Johnson-Mehl-Avrami-Kolmogorov (JMAK) type equations. orientation) is transferred to the FDM grid used in the multiphase field approach by a dedicated interpolation scheme. INTRODUCTION Microstructural changes play a major role in hot working processes.V. 2 MODELING OF STATIC RECRYSTALLIZATION KINETICS BY COUPLING CRYSTAL PLASTICITY FEM AND MULTIPHASE FIELD CALCULATIONS ONUR GÜVENC1. In the phase field calculation. 13. static recrystallization (SRX). whose material parameters have been calibrated using experimental flow curves of the considered 25MoCrS4 steel. Static recrystallization is often simply modeled based on Johnson-Mehl-Avrami-Kolmogorov (JMAK) equations which are linked to the visco-plastic flow behavior of the material. D-52072 Aachen.. The deformation of the RVE. GOTTFRIED LASCHET2. Germany 2 ACCESS e. vertex (Piekos et al. Such semi-empirical models are not able to predict the SRX grain microstructure. RWTH Aachen University. Intzestrasse 5. A simplified nucleation model at the grain level is used to initiate the recrystallization process. which occurs in interpass times. it is possible to approximate the SRX kinetics obtained from the stress relaxation test. crystal plasticity FEM. The grain microstructure is generated via a Voronoi tessellation. MARKUS APEL2.COMPUTER METHODS IN MATERIALS SCIENCE Informatyka w Technologii Materia ł ów Publishing House AKAPIT Vol. hot forming. Intzestrasse 10. driving forces for static recrystallization are calculated based on the mean energy per grain and the curvature of the grain boundaries. 1999). an approach for the simulation of static recrystallization of austenitic grains is presented which is based on the coupling of a crystal plasticity method with a multiphase field approach. 2008) and multi-phase ISSN 1641-8581 368 – 374 . not only because the microstructure defines force requirements for forming through the flow stress but also since the microstructure defines final product properties.rwth-aachen. In this paper. considering the evolution of grain orientations and dislocation density. MARKUS BAMBACH1*.. they assume that the microstructure associated with a material point can be described by average values of grain size.

LOM results show that the average grain sizes before and after the SRX are 36 µm and 7 µm.1. the results of intricate models with spatial resolution are often not compared to experimental results. Stress relaxation tests The SRX kinetics of the material were examined by stress relaxation tests. . predicted values are critically compared with the results of stress relaxation test. the microstructural evolution of a commercial steel grade (25MoCrS4) during SRX after a hot uniaxial compression test is simulated by coupling CP-FEM calculations and phase field simulations.5 denotes the time required to reach 50% recrystallization. respectively. Chemical composition of 25MoCrS4 (1. For the given values of XRX(t) and t0. an Avrami exponent of n = 0. and at five different strain rates:  -1 10 100 s .7326) according to DIN 17210 (Values are in wt. 2010). a case hardening steel for gearing applications for automotive and aerospace industry. The possibility to implement grain-scale flow stress evolution models and to derive intra.2. Among those methods. 0. 2009). The decrease of the reaction force and the respective stress values were then converted to recrystallized volume fractions (XRX) according to the procedure described by (Gronostajski et al. avoiding the complexity of handling their topology one-by-one. for all considered strain rates.2.. Its chemical Grade C Mn Si Cr Mo composition is given in 25MoCrS4 0.56 was determined by regression for  = 0. the cross-head of the servo-hydraulic testing machine was kept at constant height and the force response of the specimen was measured over time.15 – 0.90 0.01 s-1 the test case strain:  = 0.40 – 0. crystal plasticity finite element (CP-FEM) simulations have gained momentum and have now reached a level of high predictive quality. For details of the sample preparation we refer to Xiong et al.50 Table 1..23 – 0. A 2d microstructure is generated via a Voronoi algorithm. Finally. 2010) were proposed as an attempt to capture the heterogeneities at the micro level. EXPERIMENTAL ANALYSIS 2.5     (1) in which n is the Avrami exponent and t0. In this paper.1.40 0.40 – 0. Once the time evolution of XRX is known.01. used to set up a CPFEM model with random grain orientations. Light optical microscopy (LOM) was used before and after SRX in order to determine the grain size evolution and nucleation site preference. 1. 2011). was selected as application Table 1. and subjected to uniaxial compression. However. The results of CP-FEM simulation are mapped onto the finite difference grid of the multi-phase field SRX simulation. (2011).and inter-grain crystalline interactions during deformation enables the generation of a representative deformed microstructure for a phase field simulation (Roters et al.3. After the predefined strain level was reached. Material The steel grade 25MoCrS4. strain rate:  at T = 1100°C.   t0. In order to take advantage of the phase field approach in an SRX model effectively.60 – 0. 2. JMAK kinetics of SRX can be evaluated by determining the unknown parameters of the modified Avrami equation: X RX n   t    1  exp   ln 2    . Exact procedures of sample preparation and experimental methodology are described elsewhere (Henke et al. material. In recent years. %). In addition.29 0. Compression tests The hardening response of the material was obtained through a set of compression tests at 1100°C  = 0.e. its theoretical foundation on irreversible thermodynamics allows for the implementation of models based on the minimization of the free energy functional of the polycrystalline microstructure (Steinbach. a representative initial (i. Fig. This simplifies the simulation of interface migration.50 0. the phase field method offers a promising approach for modeling static recrystallization after plastic deformation due to its implicit definition of the grain boundaries as a diffusive interface.. The compression test specimens (without lubrication pockets) were deformed to a pre-strain below the critical strain for dynamic recrystallization (DRX) at the different strain rates. 1983). deformed) state of the microstructure is a necessary starting condition. 2.5. – 369 – COMPUTER METHODS IN MATERIALS SCIENCE field methods (Takaki & Tomita.INFORMATYKA W TECHNOLOGII MATERIAŁÓW 2. 1 shows deformation response of the material under uniaxial compression at 1100°C.

the mean grain orientation and the mean stored energy per grain.e. Taylor factor M = 3). 1 shows the comparison of experimental and numerical responses of the material. the local orientations have to be averaged after the mapping to determine the mean grain orientations using circular statistics (Berens. The stored energy of the deformation can be calculated from the flow stress increase using the equations In equation (4). sat = 16 MPa) and the other model parameters can be calculated numerically (h0 = 300 MPa. If the material is assumed to be isotropic throughout the deformation process (i. In order to transfer the grain index and the grain orientation data from nodes to the grid. Coupling    0  c n 1 m sgn   .  and c denote the stress state and the critical resolved shear stress on the active slip system. 3. In addition. 2009). The law is defined by The macro-scale stress-strain curve can be converted to its micro-scale counterpart by the method proposed by Taylor (1938). nucleation sites of the SRX are not found inside the grains. the transfer of data from a FEM mesh to a FDM grid requires a dedicated interpolation scheme. 2012). initial and saturation values of the slip resistance can be determined (0 = 8 MPa. the well-known phenomenological deformation law by Hutchinson (1976) is used within the simulation software DAMASK (Roters et al. m characterizes the strain rate sensitivity and finally h is the function defining the incremental value of c in terms of shear increments on a chosen slip system .  c   0   Gb  .   sat  a (4) Three types of data have to be mapped from the CP-FEM output to the phase field simulation: The grain index. which can be calculated using the equation h     h0 1  c  . Comparison of CPFEM and compression test results of 25MoCrS4 at 1100°C at various strain rates. 1. a and  sat are material parameters (Kalidindi et al. it is assumed that each grid point has the index and orientation value of its nearest neighboring node as shown in Fig. 2. Note that each experiment has been repeated five times in order to take the experimental scatter into account. However. but on the grain boundaries..  0 is any convenshear rate at the active slip system.1. Deformation model In order to simulate the plastic hardening behavior. (2)  c   h   . 1992). The parameter set can be calibrated with the compression test results. – 370 – .. (5) (6) COMPUTER METHODS IN MATERIALS SCIENCE Fig. Fig. a = 2). h0 .INFORMATYKA W TECHNOLOGII MATERIAŁÓW In addition. 3.  ient reference shear rate.2. Ed   Gb 2 .  1 (3)  is the where  denotes the active slip system. MICROSTRUCTURE MODEL 3.

Ed is the stored energy due to deformation.INFORMATYKA W TECHNOLOGII MATERIAŁÓW Ed      c 0 G 2 .  defines a proportionality constant. For an isothermal. c and 0 are the final and initial values of the shear resistance (Taylor. (7) density gradients inside the grains are taken into account. grain evolution can be modeled by minimization of the free energy functional – under the assumption of a double obstacle function – which leads to the popular formulation of multi-phase field method.. mij is the grain boundary mobility. SIMULATION AND RESULTS 4. the interpolated values at the gird points are obtained as the weighted sum of adjacent finite element mesh nodes. Therefore. the local stored energies were converted to mean energies per grain using equation (7) with G = 32. Recrystallization model In the equations (5). Then. a maximum strain of 0.2 was imposed in the stress relaxation experiments.3. 1934).2. 2.  is the interface thickness. 4. σij denotes the interfacial energy between adjacent grain boundaries. The weights are inversely proportional to the relative distance between grid point and finite element node. In the SRX simulation  was taken to be 1. heterogeneous system. i   mij[ ij (i 2 j   j  2i  j 2 (i   j ))  2 2      ij  i j Gij ]  (8) Fig. the nodal energies are mapped onto the grid points. Recrystallization Fig. In order to avoid the occurrence of DRX. the nucleation of new grains was assumed to take place at interfaces and triple junctions with site saturation as initial condition. equation (8) models the combined effects of curvature and stored energy on the interface migration. the surface – 371 – COMPUTER METHODS IN MATERIALS SCIENCE . Influence of each node is inversely proportional to its distance to an individual GP. 3. The index and orientation of a node(circle) is assigned to all grid points (square) which are far away from the other nodes. (6) and (7). Finally. 3. the mean stored energy per grain is found by calculating their arithmetic mean on the grain area. expressed via equation (8) (Eiken et al.01 s-1) under hostrain rate (T = 1100oC and  mogenous boundary conditions was simulated with periodic digital microstructure generated by a planar Voronoi tessellation of 25 randomly oriented grains. In addition. ij is related to the grain boundary curvature and ΔGij is the contribution of the stored energy (Ed). The energy Ed of each grid point (GP) is determined by interpolating that of the nodes. G(T ) is the temperature dependent shear modulus. 2006). and the same pre-strain was used in the model. as illustrated in Fig. In equation (8). 4.54 and converted to the FDM grid. 4.5 µm. at the moment no dislocation After the deformation simulation. 3. Note that.2 GPa and α = 0. In the mapping.1. Deformation Isothermal uniaxial compression at a constant  = 0. Evolution of slip resistance and misorientation are shown in Fig.

COMPUTER METHODS IN MATERIALS SCIENCE Fig. However. The evolution of the morphology of the deformed microstructure during the SRX was also predicted. 6. 6. 5 and Table 2. 5.5e-2 Jcm-3. the SRX kinetics and grain sizes of the phase field simulation are in good correlation with the experimental values as seen in Fig. Progression of recrystallization through time: (a) Growth of nuclei on the interfaces. Nucleation was restricted to occur at the grain boundary interfaces and at triple junctions and only at sites where the stored energy exceeds 2. (a) t = 0. Table 2.1 s (b) t = 1 s (c) t = 100 s Fig.2 b) Fig. It was found that with the aforementioned parameter set. (b) their competitive growth towards nonrecrystallized grains and (c) the fully recrystallized microstructure. When these values are chosen. XRX kinetics of CPFEM-PF-simulation. JMAK model and the stress relaxation experiment. the Avrami exponent calculated from the phase field model is observed to be larger than 1 in contrast to the exponent from the experiment. 4. the recrystallized grain front is directional which results in a cuboidal final microstructure as shown in Fig. – 372 – . Comparison of mean grain sizes calculated by LOM and CPFEM-PF after recrystallization Mean grain diameter / µm After recrystallization LOM 7 CPFEM-PF 8.INFORMATYKA W TECHNOLOGII MATERIAŁÓW a) energy was set to 3e-7 Jcm-2 and the mobility was assumed to be 5e-3 cm4/Js. (a)  c and (b) misorientation at the end of deformation.

Tarasiuk. T. P. Bambach. a 3-D model with an improved nucleation model at the grain level is necessary to predict the SRX kinetics and the final grain shape more accurately. the phase field method takes the heterogeneity of the stored energy and boundary curvature into account. Wierzbanowski. Raabe. Piekos. CP-FEM and coupling The microstructural deformation of 25MoCrS4 is successfully modeled by CPFEM using a wellestablished phenomenological hardening law. 79. resulting in unrealistic cuboidal final grain geometry. 31. J. G... 1-9. applications.2. The nucleation mechanism of the 2-D model leads to a rather unrealistic grain shape when the model is adjusted to the experimentally obtained SRX kinetics. DISCUSSION 5. 101‐127. B. 58. An extension to 3D space would increase the number of possible nucleation sites per interface and make the predicted grain morphology more realistic. 1983. Recovery and recrystallization of Cu after hot deformation. Proceedings of the Royal Society of London.. Journal of Stat... Overview of constitutive laws.. This problem can be solved in the future by accounting for dislocation gradients and abnormal sub-grain growth in order to improve the simple nucleation model at the grain level. Ziemba... L. Due to the low experimental value of the Avrami exponent (n < 1). 1152-1211. Eiken. – 373 – COMPUTER METHODS IN MATERIALS SCIENCE The SRX kinetics and grain size calculated with the phase field method show a good correlation with that of the stress relaxation experiments. CONCLUSION In this work a coupled CP-FEM-phase field model based on the mean stored deformation energy and grain boundary curvature is applied to predict SRX kinetics. 1999. .. 71-77. Bronkhorst.. Experimental Uncertainties affecting the Accuracy of Stress-Strain Equations by the Example of a Hensel-Spittel Approach. 537‐569. J. C.. E. Steinbach. Böttger.INFORMATYKA W TECHNOLOGII MATERIAŁÓW 5. 1. J.e. Roters. Crystallographic texture evolution in bulk deformation processing of FCC metals.. H. Henke. Acta Materialia. 1976. This mean energy per grain serves as driving force in the recrystallization simulation with the multi-phase field approach. 2011. number of sites per interface) that is available. 2010. surface energy and interfacial mobility which allow for physical interpretation. Journal of the Mechanics and Physics of Solids. Bieler. e. 2009. The morphological evolution of the microstructure is found to be directional. REFERENCES Berens. Acknowledgements. I.. Static recrystallization A dedicated mapping scheme was used to couple the multi-phase field model with a CPFEM deformation model whose deformation conditions correspond to experimental results. Kalidindi. A. Moreover. kinematics. Introduction of a scalable three-dimensional cellular automaton with a probabilistic switching rule for the discrete mesoscale simulation of recrystallization phenomena. 2006. 348. Even though the model is phenomenological. Mathematical and Physical Sciences. 14th International ESAFORM Conference on Material Forming: ESAFORM 2011.. In contrast to conventional JMAK based statistical models. D. Bacroix. 2008. Material parameters are calibrated using the experimental results at the macro-scale. 348-352.. The usage of a 2D model and the assumption of site saturation restrict the number of nucleation sites (i.. Raabe. Madej. 571-572. it was necessary in this model to fill all possible nucleation sites. Philosophical magazine A-Physics of Condensed Matter Structure Defects and Mechanical Properties. M. Kuziak. However. 5... the inter-/intra-grain scatter of the grain orientation and hardening are captured and mapped onto finite difference grid effectively. 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Saeed-Akbari. 362-387. 2011. F. Sellars.RVE) jednorodnej struktury ziaren austenitu z okresowymi warunkami brzegowymi. 2012. Taki pół-empiryczny model nie jest w stanie przewidzieć mikrostruktury ziaren dla SRX.. J.M. 2012 COMPUTER METHODS IN MATERIALS SCIENCE – 374 – . Przy tych założeniach możliwe było oszacowanie kinetyki SRX na podstawie badań relaksacji naprężeń. Modeling the Flow Behavior of a HighManganese Steel Fe-Mn23-C0. Statyczna rekrystalizacja jest często modelowana korzystając z równania Johnson-MehlAvrami-Kolmogorov (JMAK). static recrystallization ... B.. Odkształcona struktura ziaren (gęstość dyslokacji. Eisenlohr. The Mechanism of Plastic Deformation of Crystals. 2009.. Mikrostruktura jest generowana za pomocą wieloboków Voronoi. z uwzględnieniem rozwoju orientacji ziaren oraz gęstości dyslokacji. wpływa na rozwój mikrostruktury. Static recrystallization simulations starting from predicted deformation microstructure by coupling multi-phase-field method and finite element method based on crystal plasticity. Xiong. International Journal of Mechanical Sciences. Procedia IUTAM.. 6. Kords. orientacja) jest przekazywana do siatki różnic skończonych w modelu pola wielofazowego stosując metodę interpolacji. które jest powiązane z lepkoplastycznym płynięciem materiału. Proceedings of the Royal Society A: Mathematical. 82. M.INFORMATYKA W TECHNOLOGII MATERIAŁÓW Roters. Met. 1938. D.. D. 2010. Taylor. naprężenie uplastyczniające oraz właściwości gotowego produktu.. Obliczenia odkształcenia RVE są prowadzone połączonymi metodami plastyczności kryształów i MES. Theoretical.. M. 3. 2012 Accepted: November 3. Raabe. Received: September 21. Parametry modelu materiału wyznaczono na podstawie doświadczalnych krzywych płynięcia dla stali 25MoCrS4. I. 1934. Mats. 62... Phase-field models in materials science. Plastic Strain in Metals. rekrystalizacja statyczna (ang. Part I. 1-31. Y. P. 17. Tjahjanto. 127-136.SRX) występująca w czasach przerw między odkształceniami.. 2012 Received in a revised form: October 29. Modelling and Simulation in Materials Science and Engineering. 1072-1081. A. Diehl. Steinbach. 3-10. Z drugiej strony przewidywana w modelu 2D morfologia ziaren wciąż odbiega od wyników doświadczalnych. Tech. Bambach. Physical and Engineering Sciences. Steel Research International. Taylor. 320-328.I. MODELOWANIE KINETYKI REKRYSTALIZACJI STATYCZNEJ POPRZEZ SPRZĘŻENIE PLASTYCZNOŚCI KRYSZTAŁÓW MES Z OBLICZENIAMI PÓL WIELOFAZOWYCH Streszczenie W wielostopniowych procesach obróbki plastycznej. siły pędne dla statycznej rekrystalizacji są obliczane na podstawie średniej energii w ziarnie i krzywizny granic ziaren. Sci. W celu zainicjowania rekrystalizacji stosowany jest uproszczony model zarodkowania na poziomie ziarna.. Takaki. W obliczeniach pola faz. Tomita. W.. C. W niniejszym artykule przedstawiono podejście do symulacji statycznej rekrystalizacji austenitu wykorzystujące połączenie plastyczności kryształów z metodą pola wielofazowego.. G. 52.6 in Consideration of Dynamic Recrystallization.. Modelling Microstructural Development during Hot Rolling.I. G. 307‐ 324. Inst. T. 145. Wietbrock. DAMASK: the Düsseldorf Advanced MAterial Simulation Kit for studying crystal plasticity using an FE based or a spectral numerical solver. Mikrostruktura jest modelowana za pomocą reprezentatywnych elementów objętości (ang: Representative Volume Element . C. 1990.

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