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2012, Plzeň, Czech Republic, EU

Uwe Diekmann
Metatech GmbH, Kamen, Germany
In order to find the optimum balance of product performance, alloying and heat treatment costs the
calculation of materials properties of steels as a function of chemical composition and processing can be
helpful. JMatPro is a commercial software package which is based on CalPhaD and extended by various
models which allow calculation of materials properties. It is now widely used e.g. in steel-industry and also
for generation of materials property data for FE-simulation, like casting-, forming- and heat-treatment
simulation. Calculation of materials properties extends the knowledge which is available in leading steel
databases, like StahlDat SX of the German Steel Institute.
Calphad, StahlDat SX, JMatPro, Materials Property Data, CCT, TTT, Flow curves


Materials impact cost, safety, quality, and performance. In virtual product development environment, design
and simulation engineers perform detailed modeling of the performance and service life of components and
assembled products. Materials databases which compile information from standards or tests have been
developed since many years and can now give excellent general information to the end-user. An example is
the new StahlDat SX database for steels which was developed by Metatech using the Granta-MI standard
software for this purpose [1].
For detailed modeling of processes and development of new materials it is necessary to get consistent
materials data, which also take into account the variations of chemical composition and different processing
routes. For cost and time reasons it is practically not possible to get this information from tests or databases.
Missing data have to be calculated by appropriate tools - JMatPro was designed for this.


Thermodynamic modeling tools for exploring the equilibrium and phase relationships in complex materials
have become increasingly used in actual industrial practice especially for materials engineers. JMatPro is a
tool which bridges the gap in translating this information into the materials properties being targeted by the
CAE-user, e.g. mechanical properties, thermo-physical properties.
2.1 Introduction to JMatPro
The software tool JMatPro, which is an acronym for Java-based Materials Properties software, is a suite of
computer programs that has been developed by Thermotech Ltd. and Sente Software Ltd. for the prediction
of a broad range of materials properties. JMatPro started in 1998 as a project funded by a consortium of
companies and institutions interested in expanding their materials properties modelling capacity. The
CALPHAD-book [2] can be seen as a starting point and scientific foundation of the system. The initial
commercial release of JMatPro was available 2002, current release of JMatPro is V.6.2.
JMatPro has been designed so that it can be used by any engineer or scientist that requires materials
properties as part of their everyday work. It offers:

ease of use due to an intuitive user interface

finding phase boundaries. e.h. • Phase transformations. flow curves • Thermo-physical and physical properties.g. Each module is pre-configured with certain preference settings so that the end-user can select only the relevant options for calculation of data. 2012. 1) so that they can be easily applied. e.21. e. Scheil calculations • Mechanical properties. Specific heat…. 2. tensile strength. Density.g. Equilibrium calculations For development of steels and also for tuning of heat treatments thermodynamic calculation of phase equilibria is a good starting point. Use cases of JMatPro are both the development of materials as well as the generation of materials property data for simulation packages.g: Young’s (E). Thermal conductivity. Thermodynamic calculations are a basis for the calculation of materials properties. Poisson’s ratio. sound models for predictions of materials properties • data management interface in order to browse through calculated properties. e. e.2. . Thermal expansion coefficient. .: TTT/CCT/TTA diagrams. EU • fast and robust calculations. The complexity of the underlying materials models is hidden by an intuitive user interface (Fig. including setting automatic start points. This basis was extended by comprehensive new subroutines which provide a variety of benefits. hardness. and the other parameters can be analyzed. scattering within the allowable compositional range. One example is the calculation of the adequate Ti-content in a Boron-steel in hardening steel.22. The following properties are calculated by JMatPro: • Stable and metastable phase equilibria • Solidification behaviour and properties. Czech Republic. Fig. 11. JMatPro user interface showing the different “Material Types” (left) and the calculation modules for “General Steel”. checking for miscibility gaps. [4]. Boron has to be in solid solution in austenite for this case and Ti is used to bind Nitrogen in order to prevent the formation of BN. Jominy diagrams JMatPro has different modules for each material group. [3] and extended by Kattner et al. Fig 2 shows the result of a concentration stepping of a real multicomponent chemistry and indicates the highest amount of free Boron in austenite at a certain Ti-level. Plzeň.g. Shear (G) and Bulk (K) moduli. 1. JMatPro utilises core minimisation routines developed for the PMLFKT software programme by Lukas et al. With JMatPro the influence of changing chemical compositions.

Sigma. Ni-based superalloys.3 Phase transformations (TTT.g. In a first step the amount and composition of austenite at austenisation temperature is calculated. Plzeň. e. . The model takes into consideration austenite grain size which is an important factor in order to compare different diagrams of the same steel. Fig. bainite and martensite rather than on stable phases.g. Fig. 2012. Precipitiation is calculated by using the Johnson-Mehl-Avrami equation as a basis so that TTT/CCT diagrams can be calculated [6]. Exemplary equilibrium calulation: Free Boron in austenite as function of Ti-concentration 2. pearlite. CCT. 3b shows a TTT digram for duplex steel showing the evolution of different phases. structure stability over time and precipitation of phases are important. Laves. The calculation takes into account the initial microstructure and uses again a modified Johnson-Mehl-Avrami approach to calculate re-austenisation which kinetics is limited by C diffusion. pearlite and bainite are then calculated using a model based on [5] so that CCT and TTT diagrams for a wide range of steels can be calculated. which is now available online in StahlDat SX [1]. 3a shows a typical TTT for a low alloyed steel. 2.22. Czech Republic. Al-alloys. . TTA) Properties of many steels depend more on microstructure constituents like ferrite. EU Fig.21. In extension to TTT/CCT diagrams JMatPro is now also able to calculate TTA diagrams which were validated against the heat treatment atlas [7]. Alpha-Cr. e. For high alloyed grades like duplex steels and other materials. Chi. JMatPro uses a combined approach of thermodynamics and physical based models to describe the phase transformation in general steels. 11. The transformation-times for ferrite.

e. 4 Thermal conductivity of a steel. b) right . different quenching rates and austenisation can be calculated (Fig. dependent on temperature and quenching rate at fixed composition and grain size. Plzeň. 2012. 4). Thermo-physical properties Having the amount of microstructure constituents and phases present. JMatPro uses internal property databases to calculate the properties of each phase in dependency of composition and temperature.21. 9]. 3 Different TTT diagrams for steel in JMatPro.4. Mechanical properties For calculation of yield or proof stress of materials the standard Hall-Petch equation and solid solution hardening is considered.precipitation of phases in a Duplex steel 2. Phase transformation data are used to calculate the strength for each . i. The influence of processing on properties. JMatPro is capable of providing either the overall property or that for each phase. a) left . Fig. EU Fig.5. 11. properties for each phase as a function of temperature and composition are calculated. JMatPro's capability to calculate physical and thermo-physical properties has been well documented elsewhere for various metallic systems [8. . Materials properties are finally calculated as a function of amount of phases and morphology using a mixture model.22. Czech Republic.decomposition of austenite in a heat treatable steel. 2. Based on the calculation of phase transformation JMatPro can calculate microstructures for complex cooling curves as they occur in practical applications.

depending on the temperature.6. Plzeň. 5b shows the corresponding proof stress data for each element and also for the entire material as function of temperature. 5 Quenching of a steel a) left . Fig. The strength model includes creep as a controlling factor at high temperatures. 5a shows the evolution of microstructure of a 3310 steel quenched from 900 °C at a constant cooling rate of 10 K/s. EU microstructure dependent on grain-size and cooling rate. 11. b) right – corresponding proof stresses The calculation of flow stress curves in steels follows similar procedures as described in [10] for titanium alloys.Evolution of microstructure. forming and heta treatment simulation. For many important tools . The present approach models materials flow behaviour based on fundamental deformation mechanisms in operation and is predictive in nature. strain and strain rate regime. Export of data A very important use case for JMatPro is the export of consistent property data to FEA analysis tools.22. Czech Republic.21. Fig. Fig. 6 shows an exemplary “Flow-Stress-Analysis” for a stainless steel. Fig. It automatically determines whet her deformation should be dominated either by dislocation glide or by dislocation climb. in that process models do not need to include additional models for recovery and recrystallization. 2012. This has significant advantages. . JMatPro is now widely used in casting. 6 Exemplary flow stress analysis of a steel at a strain-rate of 1/s 2. Fig.

P. JOM. N. SUMMARY Even leading materials databases for steel.  Forming simulation: Deform. 861–868. J.P. Forge  Heat treatment simulation: Deform HT. A. D. (Warrendale. Phase Transformations in Ferrous Alloys. 2002. S. Kattner. 4.R. Czech Republic. S. N. Bd. Miodownik. Schillé: Using JMatPro to model materials properties and behavior. Pergamon Materials Series vol. FEA-users can easily generate their specific material model using JMatPro and import the data directly into their favorate system: 3. [7] J. Atlas zur Wärmebehandlung der Stähle. Wiest. „Modelling of materials properties in duplex stainless steels“.S. CALPHAD – Calculation of Phase Diagrams. Schille. LITERATURE [1] Stahldat SX: The European Database of Steels. AIME. X.22. S. Miodownik. Li. R. Henig. Nr. 11. P. Guo. 2. ed.P . Miodownik. A.J. P. (1996) . in MRS International Materials Research Conference. Plzeň. P. A.R. Although calculation of materials property data will be subject of further research work for future decades to further extend the capabilities it is possible today to get useful results for practical engineering tasks. . Key advantages of the system are ergonomics. Bd. Miodownik. Coriell. 229251 [4] U. Strategies for the Calculation of Phase Diagrams. (2012) Verlag Stahleisen. EU specific exporters for data are included in the system. Cahn (1998). 1984). J. (1982).steel-data. Boettinger.-Th. 8. Goldstein. Oxford: Elsevier Science. Miodownik. Materials Science and Technology. „Modelling phase transformations and material properties critical to the prediction of distortion during the heat treatment of steels“. N. Düsseldorf [8] N. 2009. 125. PA: AIME. P.1.Venugopolan.-P.I. E. Z. JMatPro is a tool which is now widely accepted in steel industry for development of new grades and for generation of data in process simulation. Saunders. 2008. 2012. CALPHAD. J. Application of Lukas’ Phase Diagram Programs to Solidification Calculations of Multicomponent Alloys Z. W. 55 No. [3] H. „Modelling high temperature flow stress curves of titanium alloys“. R. Nr. Excel. [10] Z. 522-528 [5] J. Guo. Saunders.65. Anycast. (1973) Verlag Stahleisen mbH. 187–195. 12. A. Orlich. J.21.W. Kirkaldy. Calculation of materials properties can generate missing data. Ascii. speed and robustness: It can be used in workshops and by occasional users so that materials simulation can now be a standard task in product and process development. Düsseldorf [2] N. P. S. available online: www. Procast.L. Schillé. Lukas. (Band 3: Zeit-Temperatur-AustenitisierungsSchaubilder). 87.Metallkde. cannot deliver all the thermo-physical and mechanical properties which are necessary for process simulation. like StahlDat SX Pro.. Guo. Rose. eds. Simufact. Saunders. 6. [9] Z. International Journal of Microstructure and Materials Properties. ( 2003) [6] A. Marder and J. .  Casting simulation: Magmasoft. Weiss. Saunders. 9–12. Jan. A. Saunders. Simufact premap  General purpose: Ansys and use of clipboard. etc. 18.