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International Journal of Mechanical Sciences 120 (2017) 249–262

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International Journal of Mechanical Sciences
journal homepage: www.elsevier.com/locate/ijmecsci

Finite element implementation of dislocation-density-based crystal MARK
plasticity model and its application to pure aluminum crystalline materials

Sangyul Haa, , Jin-Hee Jangb, KiTae Kimb
a
Corporate R & D Institute, Samsung Electro-Mechanics, Suwon 443-743, Republic of Korea
b
Department of Mechanical Engineering, POSTECH, Pohang 790-784, Republic of Korea

A R T I C L E I N F O A BS T RAC T

Keywords: A new time-integration algorithm is presented for a dislocation-density-based crystal plasticity model. This
Crystal plasticity model includes a monolithic iterative scheme in which stresses were solved simultaneously with dislocation densities
Dislocation densities based on the fully backward Euler method for the integration of the constitutive model. Furthermore, the
Electron backscattered diffraction (EBSD) heuristic convergence criterion based on the slip resistance, instead of dislocation densities, together with the
Digital image correlation (DIC)
stresses is employed to circumvent stability issues. A closed form of the consistent tangent moduli is also
Shadow Moiré
derived. The constitutive models and time-integration procedures have been implemented as a user-subroutine
UMAT of a finite element program Abaqus. Representative comparisons between the numerical predictions and
experimental data are then given to verify the robustness and stability of the current implementation of the
dislocation-density-based crystal plasticity model. It is demonstrated that finite element calculations reproduce
well the anisotropic hardening response of differently oriented pure aluminum single crystals under tension and
the variation of pile-up patterns according to different initial crystallographic orientations during nanoindenta-
tion. Furthermore, the numerical procedure was used to predict the deformation response of the aluminum
multicrystalline specimen under simple shear. Non-uniform deformation fields by the digital image correlation
method and surface profiles by the shadow Moiré method were well reproduced by numerical predictions. In
addition, the effect of the initial crystallographic orientation and the interaction effects among different crystals
on the deformation response of the multicrystal are addressed.

1. Introduction ientation [7,13,14], and the formation of cell walls [15]. Furthermore,
while the hardening rate of polycrystalline aggregates decreases con-
In recent years, many studies have been made to characterize the tinuously with plastic deformation, the deformation regime of single
deformation response of polycrystalline materials, in particular when crystals can be divided into three stages according to its hardening rate
structural dimensions are approaching the microstructural length-scale [16]. In addition, the hardening response of single crystals depends
of its constituent materials, i.e., from dozens of microns to the significantly on the crystallographic orientation with respect to the
submicron range [1–8]. This is mainly due to the rapid growth of the sample axis, which manifests anisotropic behavior contrary to the
electronics industry and accompanying development of microelectro- polycrystalline materials with random texture. Thus, the demand for
mechanical systems (MEMS) and nanoelectromechanical systems accurate and reliable numerical simulations that adequately capture
(NEMS) technologies. For examples, ductile crystalline materials the salient hardening behavior and microstructure evolution of single
commonly used for structural materials of electronics components crystals is of prime importance to improve the predictive capability of
consist of at most a few dozen grains or even several grains in their the constitutive model and to gain further insight into the deformation
critical dimension (mainly thickness direction), e.g. metallic thin film mechanism of crystalline materials.
electroplated on a Si substrate, solder bump, and intermetallic Since the pioneering work of Taylor [18], various constitutive
compounds formed at the interface between a bump and interconnects models have been proposed to describe the anisotropic hardening
[9]. At this level, microstructural changes which affect the overall behavior of single crystals in the literature. Two approaches are widely
deformation response of polycrystalline aggregates mainly come from used [10]: the phenomenological model and physically based model.
phenomena occurring at the single crystal level such as grain subdivi- The former mainly aims at predicting the overall stress–strain
sion [10], the formation of micro-shear bands [11,12], lattice reor- responses and texture evolutions of polycrystalline aggregates during


Corresponding author.
E-mail address: dubuking@postech.edu (S. Ha).

http://dx.doi.org/10.1016/j.ijmecsci.2016.11.011
Received 26 June 2016; Received in revised form 19 October 2016; Accepted 14 November 2016
Available online 01 December 2016
0020-7403/ © 2016 Elsevier Ltd. All rights reserved.

edge and screw [1.19. several researchers have small-volume structures [46]. Clearly. It predicts well the anisotropic hardening behaviors of Cu ances.2. Most of the emphasis has been tures.e. a few studies on the finite element implementa- 250 . for solving non-linear algebraic equations resulting from the discreti- lographic slip rate in an arbitrary slip system with the slip resistance zation of the phenomenological slip-resistance-based hardening model. stress or an explicit method being applied in the second loop to eously deformed crystalline aggregates at low homologous tempera.52–54]. simulation results.g. it is expected to improve their predictive capability and computation time.g. thus. cell walls [10. More recently. mobility of dislocation. [32] proposed a dislocation-density.. the slip resistance on a specific slip system is heterogeneous throughout the volume during plastic deformation.. expressed as a function of accumulated crystallographic slips and the different approaches have been proposed to use two or three kinds of specific functional forms are adopted from classical hardening laws. In this study. Most notable materials. Moreover.. and change of is applied. these framework of the single crystal plasticity model. [11] this is vice versa. over the phenomenological model.g. Ha et al. These researches have been accomplished by the off-diagonal terms describing the latent hardening effects. the aforementioned success of the application of attempt to characterize the deformation behavior of crystalline materi. motivated by the global responses from the anisotropic responses of individual grains. elastic deforma- based hardening model including the interactions between different tion gradient [55] or plastic deformation gradient [56]. as noted in Cuitino and Ortiz [31].21–26]. Weng [29] and Zhang et al.39–41].7]. in the work of Bassani and Wu [17]. sheet forming. In most works. a fixed state of the material and in a subsequent loop the kinetic tion of the forest dislocations in which the functional forms originally variables.31. two main categories: a fully implicit algorithm based on the backward Earlier works on the development of hardening models employed Euler method proposed by [1. the increasing Gottstein and co-workers [43. proposed improved hardening models for the description of anisotropic With the advancement of the constitutive models for crystal behavior of single crystals during plastic deformation.S.56] and an single dislocation density to account for the microstructural state of explicit method proposed by [11. the numerical scheme was classified into on the storage and annihilation processes for dislocations [32–34].27. respectively. time-integration algorithms that allow for large-scale direct numerical On the other hand. Harder [38] presented a dislocation-density-based On the other hand. types of disloca- phenomenological descriptions are computationally more efficient than tion. e. and dislocation density. non-local models. In their work. Moreover. digital image correlation (DIC) [13. However.5] or couple and numerical models to better describe the anisotropic response of stress [45]. [30]. the full-field Furthermore. mobile and the physically based model. rate-dependent single crystal plasticity model has been provided by structure of materials and usually their evolution can be modeled based Ling et al. most of these oped a hardening model based on the mobile and immobile dislocation phenomenological models fail in describing the salient features of the in cell interiors and cell walls. the crystal plasticity finite element model Wu [17]. i.37].g.44]. in general. e. Motivated by these limitations. Roters and co-workers have devel- forging. [34] established a framework for the in the framework of the implicit integration method is the work of development of the dislocation-density-based hardening model in Kalidindi and Anand [27] which presented a two-level iterative method which three kinetic equations are postulated to relate the crystal.42]. can refer the work of Busso and Cailletaud [57] which presented a [32] to predict the deformation response of multicrystalline material comprehensive investigation of the capabilities of the rate-dependent during tensile deformation. the discrepancy in the deformation fields of the specimen during deformation were traced form of the hardening interaction matrix between various models using non-contacting three-dimensional surface measurement techni- cannot be resolved when the assumption of constant latent hardening ques.49–51. In experimental observation that the distribution of dislocations is very many of these models. Interested readers way. For example. it is difficult to assign physical interpretations with experimental results [19. Bassani and plasticity presented above. however. Tabourot et al. e. These two loops are proposed by Gillis and Gilman [35] and Essmann and Rapp [36] were iteratively solved until convergence is achieved within specified toler- adopted. Delaire et al. the crystal plasticity model is mainly based on the phenomenological als by taking the microstructural state of materials into account. and geometric character of dislocation. Cuitino and Ortiz [31] developed evolution In the first level of the iterative scheme. It was shown that dislocations evolve towards some steady-state laid on the development of time-integration algorithms based on the microstructures provided that a sufficient amount of monotonous rate-dependent crystal plasticity model but numerical algorithms for deformation is allowed for along the same strain path. Moreover. which was employed for the simulation of inhomogen. recently the grain- to the material parameters appearing in phenomenological models.55. etc. full-field deformation fields and rate-independent models for the prediction of complex multiaxial in different crystallites of the multicrystal were compared with the loading paths. Recently.20. [48]. while in the progresses in computer resources and the development of robust Peirce et al. physically based crystal plasticity models simulations. International Journal of Mechanical Sciences 120 (2017) 249–262 forming processes where appropriate homogenization methods or hardening model incorporating back stress evolution and applied to the finite element models [19–26] are employed to construct the average prediction of the Bauschinger effect. Teodosiu et al. replaced with the crystallographic shearing rate [31]. includ- trend in the miniaturization of structural devices demands constitutive ing those that employ the lattice incompatibility tensor [4. have been developed to predict the well-known size effect in single crystals. accelerate the computing speed [55]. instead of the slip systems. dislocation densities A comprehensive review of the time-integration algorithm of the are introduced as internal state variables to characterize the micro. slip resistances are updated. The constitutive models in this category can be e. which leads to the successful application of immobile [6]. [37] applied the hardening model of Teodosiu et al. This hardening model which approximates the stress–strain response of kind of model can directly track the evolution of microstructures single crystals as being hyperbolic since the incorporation of internal during deformation and material parameters have their own physical variables to the hardening model inevitably increases the complexity interpretation. Several subsequent modifications for the two-level iterative single crystals for various initial orientations and reveals that the method have been proposed to provide better numerical stability in discrepancies of hardening matrices in phenomenological models can such a way that the primary solution variable in the first loop has been be reconciled. scale validation of the model has been carried out. In the same rate-independent models have also been developed. among others. and the hyperbolic criterion are used to incorporate different dislocation densities into the tangent law as described by Chang and Asaro [28]. the crystallographic orientations in each crystallites by electron backscatter diagonal terms which correspond to self-hardening are dominant over diffraction (EBSD) [47. cell interior and the crystal plasticity model to bulk forming processes such as rolling.4–6. dislocation densities. However. which extend the work of hardening behavior of single crystals [17]. Since these hardening (CPFEM) has been applied to a number of deformation problems and models are not related to any physical processes inducing plastic has proved its predictive capability by comparing numerical results deformation. the Voce-type saturation hardening law as discussed by Kalidindi divided into various types depending on what kind of classification and Anand [27] and Marin and Dawson [19]. the stresses are determined for equations governing dislocation motions from the statistical considera.

through the relationship Te = ∂ψ /∂Ee .1. however. the constitutive model of dislocation-density-based work-conjugate to the elastic Green–Lagrange strain tensor Ee and is single crystal plasticity. [58] developed a time-integration Here. The behavior of single crystals. resolved shear stress and ∼p ω p = (C e T e ) L . incorporating statistically intermediate configuration )͠ . The spatial velocity gradient tensor L can be additively decomposed Recently. assumed to occur on the twelve {111} 〈110〉 slip systems. Fe and Fp are not compatible. the stresses and SSDs are solved within a two. Ha et al.c. stored dislocations (SSDs) and geometrically necessary dislocations while Fe describes the rotation and stretch of the slip systems from )͠ to (GNDs) to consider the size dependent response of aluminum single the current configuration. Pile-up patterns developed during the indentation of single crystals are observed and also predicted by the developed computa. can be written as growth of dislocation densities limits the allowable time increment n ∼p during iterative procedures. Hansen et al. followed by a description of the evolution equations required to Finally. Meissonnier et al. compared with the CPFEM results. is related to its the commonly used two-level iterative one.e. with slip direction m α0 and slip-plane dependent variables is fully accounted for by the local Jacobian and normal n α0 [11. Thus. slip systems with the resolved shear stresses can be written as [4. crystals. (10) single crystals will be outlined based on multiplicative decomposition. Thus. which is the sum of the shear rates based model gives rise to a stability problem since the exponential on overall slip systems. thus we assume the functional form of the out to verify the robustness and stability of the current implementa. Finally. nα = n α0 Fe −1 (6) gence criterion based on the slip resistance to overcome the unstability where we assume that and m α0 n α0 are orthogonal to each other. related to the Cauchy stress tensor. are simulta- neously solved in a single iterative procedure with a heuristic conver.16].S. the crystallographic slip is hence generates the exact correction needed for quadratic convergence. For f. Kinetics of crystallographic slip rates The rate-dependent crystal plasticity model is based on the multi- plicative decomposition of the deformation gradient F into an elastic The flow rule which relates the slip shearing rates on the arbitrary part Fe and a plastic part Fp [16]. thus allowing the stress–strain relationship constitutive models and time-integration procedures are implemented to be defined by the Helmholtz free energy per unit volume. it is expected that a single iterative scheme is more efficient than The slip direction in the current configuration. [6] also Also. ψ. J e = det Fe . (11) dislocation densities. The material parameters are identified from the stress–strain Lagrange strain on )͠ . (2) update of the stresses in the first loop and explicit solutions of dislocation densities in the second loop that were deemed acceptable so that Fe and Fp are invertible and Fp follows isochoric deformation. the constitutive specification of Fp defined later gives the level iteration loop and GNDs are updated with converged stresses and unique description of )͠ . Ee [1. as is briefly summarized. Thus. simple shear of an aluminum multicrystal sample with several large columnar grains is conducted. where the stress is determined in the first level of the ˙ −1 = F˙ eFe −1 + Fe∼ L = FF p e −1 Newton–Raphson method while slip resistances. we present a novel time-integration procedure for a dislocation-density-based single crystal plasticity model. i.39. the stress power per unit volume in )͠ can be written as determine the crystallographic shear rates.e. Kinematics of crystal plasticity 2.40]. Ce = FeT Fe . stresses and edge and screw dislocation densities. A monolithic. 2. 1 Ee = 2 (Ce − I). Constitutive model for single crystals where is the second Piola–Kirchhoff stress tensor in )͠ which is the Te In this section. elastic deformation is infinitesimal compared to Representative comparisons against experimental results are carried plastic deformation. we have curve of the [111] oriented aluminum single crystal. In most as a user-subroutine UMAT of the finite element program Abaqus. [1] have extended the two-level iteration into its elastic and plastic parts algorithm. A A hyperelastic constitutive model is used to describe the mechanical closed form of the consistent tangent moduli is also derived. form in )͠ by In this paper. International Journal of Mechanical Sciences 120 (2017) 249–262 tion of the dislocation-density-based crystal plasticity model have been F = F eF p . crystalline materials. α = m α0 ⊗ n α0 implicit time-integration procedure with a single level of iteration to α =1 (4) update both the stress and the slip resistance simultaneously. caused by the exponential growth of dislocation densities over time. can be written as Te = *: Ee (9) 2. Helmholtz free energy as a quadratic form of the elastic Green– tion. The evolution of the plastic flow. * is the fourth-order anisotropic elasticity tensor and I is the roughness as well as deformation fields of individual grains is identity tensor. Le Lp (3) and dislocation velocities are updated in the second level.40]: 251 . [001] with and [112]. In their work. However. a ∼ p ˙ p p−1 straightforward extension of the two-level iteration method frequently where L (=F F ) is the spatial velocity gradient defined in )͠ . They where is the shearing rate on the α-slip system and the orientation γ̇ α argued that the coupling between each component of the solution tensor α define the slip systems. we assume that presented a semi-implicit method with a combination of the implicit det Fe > 0 and det Fp = 1. Numerical 1 predictions adopting the determined material parameters are in good ψ (C e ) = 2 Ee : *: Ee (7) agreement with other crystallographic orientations in tension. mα = Fem α0 (5) backward Euler method is presented in which the solution variables. Fp maps the material point in the reference configuration to the algorithm for the crystal plasticity model. while maintaining the stability compared with the implicit method. mα . (1) reported in the literature. used for the slip-resistance-based model to the dislocation-density. (8) tional procedure. originally proposed by Cheong and Busso [40]. leaving the lattice structure unchanged. σ . dislocation densities   L F . The kinematic framework of finitely deforming Te = J e Fe −1σ Fe − T . Alankar et al. In general. [4] developed a fully L = ∑ γ˙ α α . and the corresponding slip plane normal is defined as i. the constitutive equations for the stress response. Ma et al.27. crystals.2. and surface Here.c. SSDs to enhance the convergence of GNDs.

International Journal of Mechanical Sciences 120 (2017) 249–262 ⎡ p ⎫q ⎤ F ⎧ |τ α| − STα contribution by edge segments and screw segments. μb3 (13) 3.48]. ρsα. Furthermore.61] or F en. also. Substituting Eqs. hαβ is the Combining Eqs. (24) Kronecker delta. Evolution of slip resistance respective status at the end of the time tn and tn+1 in the subsequent development. Ha et al. an application of Here. which yields subroutine UMAT of the finite element program Abaqus. (22)–(24) into Eq. which give the maximum distances for θ is the absolute temperature.40]: deformation gradient Fn+1. and determine the shape of the energy-barrier profile associated with i. F0 0≤ ≤ 2. Time-integration of the constitutive models For convenience. To reflect their different mobility.27]. Evolution of statistical dislocation density N Ten +1 = Te. they will inevitably encounter typically lies in the range more annihilation events than edge dislocations and the critical distance is therefore larger. The parameters p and In this section. recovery processes are associated The parameter γ̇0 is a reference slip rate. N ⎧ N ⎫⎤ Cs ⎢ + 2ds⎬ ⎥⎥ |γ˙ α| ⎪ ⎪ The ambiguity of the selection of slip systems activated during ρ˙sα = Ke ∑ ρTβ − ρeα ⎨Ks πds2 ∑ ρTβ b ⎢ ⎪ ⎩ ⎪ ⎭⎦ deformation is circumvented by the introduction of the rate-dependent ⎣ β =1 β =1 (20) form of the kinetic relations.27. respectively. n . stresses and edge and screw dislocation densities. (14) density-based crystal plasticity model in which the solution variables.4. the total statistically stored (25) α =1 dislocation density can be additively decomposed into edge and screw types as where we have neglected the higher-order terms with respect to the crystallographic shear increment [20. the elastic Green– Lagrange strain tensor at the end of the step is hαβ = ω1 + (1 − ω 2 ) δ αβ (17) 1 Here.S. and F0 is mutual annihilation between antiparallel edge and screw dislocations the Helmholtz free energy of activation which is required to overcome to take place. 1 Cheong and Busso [40] proposed evolution equations for the edge Cα = 2 *: [Een +1α + αT Een +1] (27) and screw dislocation density components by formulating the balance laws between dislocation generation and annihilation: in terms of quantities known at the beginning of the solution process. with the terms. (9) yields the following discrete equation for the stress update 2. ρeα. kB is the Boltzmann constant. p ∼p STα = λμb ∑ hαβρTβ The evolution equation of Fp (F˙ = L Fp ) can be integrated by the β =1 (16) exponential operator [49] where λ is the statistical coefficient accounting for the deviation from ∼p Fnp+1 = exp[Δt L n +1] Fnp . subscripts n and n + 1 are used to denote their 2. Here. Then. can be determined as where ρeα and ρsα are pure edge and screw dislocation density Te. Since screw dislocations have the ability to short-range obstacles without the aid of an applied shear stress and cross-slip even at low temperatures.3. Ten . (15) 3. Several forms have been proposed by various researchers based where on the back-extrapolation of latent hardening experiments [17. A monolithic. In the present study.+1 tr = Fn +1Fnp −1 (23) discrete dislocation dynamics [62–64]. (26) components. respectively. τ α . ⎡ N ⎤ It is worth mentioning that the above discrete equation where the Ce ⎢ ρ˙eα = Ke ∑ ρTβ − 2de ρeα ⎥ |γ˙ α| multiple yield surfaces are invoked according to the activation of the b ⎢⎣ ⎥ ⎦ β =1 (19) several slip systems preserves the functional form of the return- ⎡ mapping algorithm of the classical rate-independent plasticity [65]. Ke γ˙ α = γ˙0 exp ⎢ − 0 ⎨1 − ⎥ sgn(τ α ) ⎪ ⎪ ⎬ and Ks are dimensionless proportionality constants controlling the ⎢⎣ kB θ ⎩ ⎪ τl0 μ / μ0 ⎭ ⎪ ⎥⎦ (12) mobility of the dislocations. n } at tn with an estimate of the according to the generalized Taylor law [1.1. ω1 and ω2 are the interaction coefficients and δ αβ is the Een +1 = 2 (F eT e n +1F n − I).+1 tr exp[−Δt L n +1] (22) the slip resistance on the α-slip system due to shearing on the β-slip system. the resolved shear stress tensor. the two terms. a finite element formulation associated with the q are taken to lie in the ranges previously presented constitutive model is developed. Eq. τ α = (CeTe): α . tr = * [Een +1]. (21) regular spatial arrangement of the dislocation densities. Finite element implementation μ and μ0 are shear moduli at θ and 0 K. de and ds. Te. tr − ∑ Δtγ˙ α Cα . the parameters Ce and Cs denote the fraction of the total slip rate the Euler backward method to the evolution equations of dislocation 252 . τl0 is the lattice friction at 0 K. respectively and 〈x〉 (≔[|x| + x ]/2) denotes the Macaulay bracket. (1) and (21) yields dislocation interaction matrix which accounts for the rate of increase of ∼p F en +1 = F en. backward Euler method was employed to integrate the dislocation- 0≤p≤1 and 1 ≤ q ≤ 2.e. neously solved in a single iterative procedure. to find the updated state variables at tn+1 N over a time increment Δt = tn +1 − tn [20. the following form is adopted for simplicity: is the trial elastic deformation gradient. respectively. given state variables {Fnp .39. tr and ρTα = ρeα + ρsα (18) Cα . while γ̇nα+1 is not a priori known. (12). is defined through the and time-integration procedures have been implemented as a user- relation ω p = Σα τ αγ˙ α . The constitutive models Finally. μ is the shear modulus and b is the magnitude of the Burgers vector. The central problem of the time-integration algorithm is The total athermal slip resistance parameters STα are taken to evolve then. are simulta- interactions between dislocations and obstacles [60].

(nk+1 +1) α (k +1) ρs. n +1 − ( ρs. International Journal of Mechanical Sciences 120 (2017) 249–262 densities yields Table 1 Material parameters for aluminum single crystals. and (29) represent the set of algebraic equations in Ten +1.272 0. since the dislocation densities grow C1 0.408 A6 0.000 0.408 0. (nk ) + δρsα.136 ∥ δ Ten (+1 k +1) ∥<e (33) A3 0. tr − ∑α =1 Δtγ˙n +1 Cα)⎥ ⎢ r ρeα ⎥ = ⎢ ρα α ˙e. (25).408 0. The Jaumann Kirchhoff tangent modulus is used in Abaqus [66]. n +1) ⎥⎦ (30) Linearizing Eq. experimental data (rectangle) and ← ρsα. account for the incremental objectivity during the numerical update.272 Stability issues can occur during the iterative procedure in parti. (29) Ce Cs Ke Ks de ds 0. (10) as dislocation-density-based crystal plasticity model is given by σn +1 = Jne+1 −1 e F n +1Ten +1F eT n +1. n + Δtρ˙eα.0 .1 and emax = 1. i. Various expressions can that can be carried out at each time increment. while the stability is maintained by the maximum dependent on the exact form of the consistent tangent moduli.5 15. (28).0 × 10−19 J 8. the solution variables at the (k+1)- iteration are updated according to Ten (+1 k +1) ← Ten (k ) + δ Ten (+1 k +1) α (k +1) ρe. (nk+1 +1) (32) CPFEM results (line).000 C3 0.5 0. n +1 Fig. The final expression for the Finally. ⎡ e N α ⎤ ⎡ r Te ⎤ ⎢ T n +1 − (Te. (28) γ̇0 F0 τl0 p q 1.272 0.408 0. True stress–true strain curves of aluminum single crystals for three initial crystallographic orientations during uniaxial tension.51]: derived the consistent tangent modulus for the slip-resistance-based crystal plasticity model. This problem can be circum.408 0. n +1 ← ρeα. The above iterative procedure is continued until the problem Table 2 converges. the magnitudes of C5 0. B2 0.000 0.10 ρsα. (nk ) + δρeα. [4]. It is The accuracy of the above convergence criterion is controlled by the known that the quadratic convergence of the solution is significantly specified tolerance e. time instant tn+1.000 0.e. (30). α ⎢r α ⎥ ⎢ e.2. n + Δtρ ˙s.000 0.000 the components of the dislocation densities are different by several D1 0.e. Consistent tangent modulus single stopping criterion. n +1. the stopping criterion can be set in terms of an appropriate norm of the incremental vector.000 0.408 0. D4 0.408 0. i. The 3.408 orders compared to those of stresses.000 exponentially over time while stresses vary linearly. (36) 253 . n +1 = ρeα. In this work.0 nm 35.S. n + Δt ρ ⎣ ρs ⎦ ⎢ α α α ⎥ ⎣ ρs. however. who explicitly the plastic incompressibility is not guaranteed [27.4 × 10−3 7.000 0.272 where e is a specified small value.. ρeα.272 which are a function of the total dislocation densities and have comparative magnitudes with the stresses in the iterative loop.49. by incorporating two kinds of dislocation Fnp+1 ← [det(Fnp+1)]−1/3 Fnp+1 (35) densities to replace the shear resistance.408 0. employed in this study. we obtain ⎡ ∂r Te ∂r Te ⎤ (k ) ∂r Te ⎢ ∂Te ∂ρeβ ∂ρsβ ⎥ ⎥ ⎡ δ Te ⎤ (k +1) ⎢ ∂r α ⎡ r Te ⎤(k ) ⎢ ρe ∂r ρα e ∂r ρα e ⎥ ⎢ δρeα ⎥ ⎢ r ρeα ⎥ . ρeα. and ρsα.136 vented by replacing the dislocation densities with the slip resistances. consistent tangent ∥ δ Ten (+1 k +1) ∥ + ∥ δSnα+1 (k +1) ∥<e (34) modulus is necessary to enforce the displacement correction consistent with the balance of linear momentum at the end of each increment. 1. which can be solved by using the Newton–Raphson method in a single iterative procedure. This can be recast into the system of residuals.272 0. n +1 = ρsα.000 crystalline materials [59]. n +1) ⎥. B4 0.000 0. n +1. Eq. (31) is satisfied to a required tolerance for a typical Schmid factors for single crystals under uniaxial tension. such as Slip system [001] [111] [112] A2 0. for the monolithic time-integration algorithm can be written as In an implicit time-integration procedure.408 0. the Cauchy stress σn+1 can be recovered using Eq. it was be used to define the consistent tangent modulus depending on the use found that a good balance between computational efficiency and of different objective rates of stress tensor which is necessary to accuracy is obtained when the parameters e=0.272 0. Eqs. but has allowable tolerance emax which limits the number of iteration attempts no effect on the accuracy of the solution [65]. D6 0.000 0.0 nm Therefore. n +1 − (ρe.73 × 106 s−1 3.272 0.0 MPa 0. We the plastic deformation gradient is normalized by its determinant since extended the expressions of Meissonnier et al. Usually. n +1. n +1.000 0.272 0. During the update of the state variables at the end of the increment. = − ⎢ ∂Te ∂ρeβ ∂ρsβ ⎥ ⎢ α⎥ ⎢r α ⎥ ⎢ ∂r ρα ∂r ρα ∂r ρα ⎥ ⎢⎣ δρs ⎥⎦n +1 ⎣ ρs ⎦n +1 ⎢ ∂Tse s s ⎥ ⎣ ∂ρeβ ∂ρsβ ⎦n +1 (31) During the iterative procedure.7 × 10−3 31. Ha et al.141 1.000 0. n + Δtρ˙sα.272 cular when the initial slip resistance is low which is typical of pure B5 0.

c.1. and (d) crystallographic shear strain along with axial strain for the [001] oriented single crystal. 2. ⎡ ∂T ⎤ 4. finite element implementation of the dislocation. C ∈ SO (3). Ce 4. the crystals by Hosford et al. 254 .c. F0. p . nanoindentation tests of pure mean free paths of dislocations in single-phase f. ds} are adjustable to approximate the stress–strain response. [67]. The former parameters used in Eq. ∀ A. (b) screw dislocation densities. For the constitutive model presented previously. ds = 5de . Stress–strain response of pure aluminum single crystals * JC = (det F)−1 ⎢ (F ⊗ F): : (F ⊗ F)T ⎥ + I ⊗ σ T + I ⊗ σ T ⎣ ∂E ⎦ The fitting procedure for the determination of the material para- − (det F)−1 σ ⊗ I. τl0.S. material parameter Ks is set to twice that of Ke. we keep the ratio of parameters for the constitutive model are determined from the the screw dislocation to the edge dislocation identical to that for copper experimental results of uniaxial tension tests of pure aluminum single [40]. International Journal of Mechanical Sciences 120 (2017) 249–262 Fig. Of the six parameters {Ce. crystals are aluminum single crystals and simple shear test of the aluminum approximately the same.5 to reflect the assumption that the slip contribution from edge and screw dislocations was the same. B. (12) {γ˙0. (37) meters in the dislocation-density-based crystal plasticity model was where we have introduced two non-standard tensor products as proposed by Cheong and Busso [40] for copper single crystals. ds} used in Eqs. Ha et al. the results of aluminum single and multi-crystals. Evolution of (a) edge dislocation densities. (c) resolved shear stress. the experimental observation that the distance traveled by edge density-based crystal plasticity model is validated with experimental dislocation is approximately twice that of screw dislocation [71]. Ks. Furthermore. The remaining two parameters multicrystal were performed and experimental results were compared Ke and de were fitted against the tensile stress–strain response of an with the prediction results of the dislocation-density-based crystal aluminum single crystal aligned with the multi-slip orientation [111] plasticity model. only two parameters {Ks. (19) and (20). Cs.e. Ke. Numerical validation and application and Cs are set to 0. i. de.1. meters were to be identified: one for plastic flow and the other for (38) dislocation evolutions. Then. In Section 4. q} were taken from the calibration results for polycrystal- line aluminum materials [68]. based on In this section. two sets of material para- (A ⊗ B) C = (AC) BT and (A ⊗ B) C = (ACT ) BT . In addition. which implies that apart from differences in Burgers vector.

[67]. 1 shows the predicted uniaxial stress–strain responses com. This set of material parameters was used anisotropic hardening behavior of single crystals. A constant strain (EDDs) and screw dislocation densities (SSDs) on each slip system rate of 1. respectively. for example. quickly decreases significantly. It can be seen that at the early stage of plastic deformation.c. (b) screw dislocation densities. Since the exact extent is not known from the the stress–strain curve with the highest hardening rate and stress level experimental work. Schmid Several works have shown that initial misalignment of the crystal.04. C3.69]. tensile axis were constrained not to rotate during tensile deformation Fig. Hence. 255 . i. The material parameters determined for pure aluminum single predictions of the dislocation-density-based model represent well the crystals are shown in Table 1. 8. [30]. respectively (Table 2). Cheong and Busso [69] and ever. the EDDs and SDDs which have not evolved were pared to the experimental results for pure aluminum single crystals omitted. it was reported that the initial strain curve at a strain of 0. with three different orientations. For the [001] to predict the stress–strain response of single crystals for other oriented crystal.S. metals. International Journal of Mechanical Sciences 120 (2017) 249–262 Fig. we assume the value of the initial dislocation similar to the behavior of polycrystalline materials. As plastic deformation progresses. reduced evolution of internal variables employed in the dislocation-density- integration) elements was used to discretize the tensile specimen. The [111] orientation shows the parabolic shape of through Eq. and [112] oriented crystals during tensile deforma- with respect to the misorientation differs significantly. and D6 are activated. A thorough investigation of the A total of 4 × 4 × 11 C3D8R (an 8-node linear brick. For simplicity. top and bottom surfaces normal to the lying deformation mechanisms of aluminum single crystals. B5.e. 6.39. (16). Evolution of (a) edge dislocation densities. orientation of the sample was misaligned at most by two degrees [67]. small misalignment of the initial crystallographic orientation can Zhang et al. In addition. Fig. an initial misorientation of less than 0. 3.73 × 10−3/s was applied using the subroutine DISP. along with the axial strain for the [001] oriented crystal. To based crystal model during deformation can shed light on the under- simulate fixed grip conditions. and 2 slip systems are equally activated behavior of crystalline materials although the extent of the sensitivity for the [001.5° has affect the deformation response of the single crystal even for highly been introduced to reproduce the actual experimental conditions. factors determined from the initial crystallographic orientation of the lographic orientation has a significant influence on the mechanical single crystal of interest. It is well known that from the kinematic perspective. A6. the strain hardening begins with a high rate but then crystallographic orientations. The [112] oriented densities as ρeα = ρsα = 8000 mm −2 which is in the range of fully crystals show the lowest stress level with a slight upturn in the stress– annealed f. how- the works of Arsenlis and Parks [39].111]. D4. see tion. symmetric orientation [30. (c) resolved shear stress. 2(a) and (b) shows the evolution of edge dislocation densities and the specimen was kept parallel to the tensile axis. thus the flow stress shows a saturated Initial dislocation densities are related to the initial slip resistance value at 10% strain. C5. and (d) crystallographic shear strain along with axial strain for the [111] oriented single crystal. Ha et al. B4. It can be seen that the finite element eight slip systems. A3.c.

B2. surface cannot be evaluated experimentally and only can be assessed neous activation of the slip systems with plastic deformation. respectively. Also. International Journal of Mechanical Sciences 120 (2017) 249–262 Fig. The level of EDDs is about twice that A3 slip system grow rapidly and then those on B1 start to grow at a of SDDs which reflects the low mobility of the screw dislocations strain of 0. 2(d) shows that the majority of plastic deformation exerted by the obstacle hindering the evolution of the crystallographic shear strain on external macroscopic loading occurs on the two slip systems. except on A3 and D4. However. and (d) crystallographic shear strain along with axial strain for the [112] oriented single crystal. (b) screw dislocation densities.S. 3(c).72–74]. B1.04. 3(b). Although based on the reliable numerical model. 4(d). complex deformation fields under indented the large stress level of the [111] orientation come from the simulta. determination of the contact area for the evaluation of same as those shown in Fig. B4 and C3. start to grow rapidly. This accounts for the rapid decrease of the slip system. Evolution of (a) edge dislocation densities. Fig. It can saturated. the number of slip systems of the [111] oriented ties of small-volume structures [46. as shown in Fig. Ha et al. on the empirical relation which causes erroneous interpretation of the experimental results [75]. however. 4(c) shows the evolution of the of all other slip systems even though the resolved shear stresses on the resolved shear stress along with the axial strain. and D6. Fig. The slight upturn of the stress–strain curve at this range compared with the edge dislocations. At the initial stage of Nanoindentation is widely used for probing the mechanical proper- plastic deformation. the other two slip systems. even for isotropic the resolved shear stresses of the activated slip systems are almost the materials. as observed in Fig. 3(d). 4. grow simultaneously with 4. 2(c). Fig. Although sample prepara- single crystal is two less than that of the [001] orientation. of strain is explained from the activation of the dislocation densities on ment of the initial crystallographic orientation suppresses the activity the secondary slip system.2. (c) resolved shear stress. A6. It can be seen that the initial dislocation densities on orientation due to multiple slips. A3 and the primary slip system A3. A2. As expected from the activated slip systems are almost the same as those shown in Fig. the physically based model 256 . 4(a) and (b) shows the evolution of EDDs and SDDs on each ished. A3 and B1 slip systems having the greatest When the dislocation densities on the A3 and D4 slip systems become Schmid factors exhibit the highest level of resolved shear stress. D4. the continuing higher hardening rate and curves are fairly simple. kinematic perspective. Nanoindentation of an aluminum single crystal differences in magnitude while SSDs on the same slip systems show somewhat similar levels as shown in Fig. 3(a) shows that for the [111] oriented crystal the EDDs on six slip systems. the crystallographic shear strain mechanical properties such as hardness and elastic modulus is based differs significantly. In this respect. The introduced small misalign. D4. along with the axial strain for the [112] hardening rate after the initially higher hardening rate of the [001] oriented crystal. soon after the activity on the other slip systems is dimin. B4. be seen that the activation of the secondary slip system D1 acts as an Fig. Unlike the tion and experimental procedure to obtain indentation depth–load [001] orientation.

dimension of 20 μm in diameter and 10 μm in thickness to reduce computational efforts. surface. The sample was grinded mechanically and then polished electromechanically. the emphasis will be on the prediction of the variation of pile-up patterns appearing on the indented surfaces of aluminum single crystals having different crystal- lographic orientations. (c) (111) indented surfaces of pure aluminum single crystals after indenting up to a max. 6. A conical tip with a radius of 3. Nanoindentation tests have been performed with the NanoindenterXP (MTS Instruments) in the standard mode.S. can help in interpreting the deformation behavior of single crystals exhibiting strong anisotropy depending on the indented direction during nanoindentation. The initial orien- tation of the single crystals was examined by the EBSD in a field- emission scanning electron microscope (FE-SEM. (b) (011). International Journal of Mechanical Sciences 120 (2017) 249–262 Fig. Fig. The specimen was modeled by a cylindrical shape with a of 1000 nm.999%) was provided by MaTeck™ with dimensions of 10 mm × 10 mm × 2 mm.62 μm was used to indent the single crystals up to a max. 5(a) shows the finite element model of the single crystal specimen with the conical indenter tip modeled by an analytical rigid Fig. Pile-up patterns measured by an atomic force microscopy on (a) (001). 5. Ha et al. In this section. which is large enough to smear out plastic 257 . of 1000 nm. Finite element model of nanoindentation (a) perspective view and (b) top view. TESCAN/Mira II LMH) with a step size of 30 μm and a magnification of 60. Pure aluminum single crystal (99.

are inactive. Fig. (011) and (111) specimens measured by an atomic force microscopy after unloading the conical indenter. The reference node tied to the analytical rigid surface was controlled to move downward with a velocity of 1.S. [101]. 2 mm in thickness and 40 mm in length by using finite element mesh was refined at the central region to effectively EDM wire cutting. according to the Schmid law. The bottom surface of the substrate was fixed in the indentation direction. It can be seen that the overall profiles are well predicted by the current computational model and also the complex deformation fields under indented surface can be captured since the kinematics determined by the initial crystallographic orientation governs the development of symmetric pile-up patterns. Eidel [74] for nickel single crystals. [72] and Liu et al. Different pile-up patterns around indented regions for having different initial crystallographic orientations are observed. Moreover. so that slip occurs on each of the four slip planes along a pair of slip directions. (b) (011). the 15 mm in width. Fig. four-. for the (011) surface. 7 shows the comparisons of the pile-up profiles between the measurement results and CPFEM predictions with the inset showing the development of pile-up patterns around the indented surfaces. In a similar way. [011]. and (111) surfaces. [76] on Ta single crystals. As shown in Fig. and [110]. i. The contact surface between the indented surface and the indenter top was assumed to be frictionless as Wang et al. For the conical indenter used here.3. slip systems associated with the slip direction [011] are inactive since this slip direction is perpendicular to the indentation direction. [72] have shown that the coefficient of friction does not significantly affect on the mechanical behavior of the substrate. it can be figured out that slip systems involving slip directions [110] and [110] which are perpendicular to the indented surface normal are inactive. When projected onto the free surface. A total of 23. 4. which consists of large columnar grains during simple shear.0 nm/s. it can be inferred from these experimental observations that symmetries of pile- up patterns are originated from the symmetry of the activated slip systems accommodating plastic deformation below the indenter tip during indentation. [73] for copper single crystals. the plane (111) is parallel to the free surface. e. crystals after indenting up to a max. the geometry of indenter tip is irrelevant to the symmetric pile-up patterns. The fabricated multicrystalline deformation around the indented region. so that slip systems associated with this plane and accompanying slip direction. and compare experimental results with CPFEM results including the full-field deformation field and surface roughness of individual grains. International Journal of Mechanical Sciences 120 (2017) 249–262 consider the localized plastic deformation near the indented surface. making an angle acute with each other and thus equal amounts of slips accommodate four hillocks. For the (001) surface. (c) (111) indented surfaces of pure aluminum single sponse of multicrystals are briefly discussed. 6 shows the surface morphology of the (001). The point on the peripheral intersecting with the y-axis was constrained in the x-direction to remove rigid body motion. of 1000 nm. 5(b). Wang et al. the effect of the initial crystallographic orientation and the Fig.000 C3D8R material was cut into a simple shear specimen with a dimension of elements was used to discretize the model. and the center of the bottom surface was fixed in all direction. 7. and Biener et al. Bunge Euler angles were assigned to each integration point in the FE model to represent the initial crystallographic orientation. Ha et al. Simple shear of an aluminum multicrystal We now examine the deformation behavior of an aluminum multi- crystal. Thus. Thus. Comparisons of pile-up profiles between the measurement results and CPFEM interaction effects among different crystals on the deformation re- predictions of (a) (001).e. three remaining slip planes with three slip directions make a six-fold symmetry of pile-ups. two-. Then the specimen was ground by using sand papers 258 .g. respectively. (011). and six-fold symmetries for (001). The coarse columnar-grained aluminum structure was fabricated by using the strain-annealing method. In the (111) surface. primary slip planes (111) and (111) intersect with indented surface along [112] and [112] directions and thus form two-fold symmetry. These four slip planes are laid symmetrically with respect to the indentation direction. The same tendency for the formation of sym- metric pile-up patterns was observed for several crystalline materials.

keeping the other directions constrained. Thus. This is camera with illumination lights was set up in front of the sample consistent with the previous studies that have been observed for surface to measure the in situ full-field deformation field by using a multicrystals under tension [2.) and subsequently polished with a colloidal suspension of the alumina three successive stages of deformation when the external macroscopic powder for EBSD measurements. while fulfill the plastic incompressibility. The initial crystal. The designation of multicrystalline specimen.7. The strain compression [14]. In the color map shown in the stereographic unit triangle. the speckle pattern was removed by using an ultrasonic cleaner for specimens to the misorientation effect within a single grain. The deformation is expected in the polycrystalline specimen during simple sample height and width were aligned with the TD (transverse shear except for the two ends where bending occurs [70]. near edge. International Journal of Mechanical Sciences 120 (2017) 249–262 Fig. and 0. and G41 are soft and deform easily. which here has a small number of grains. 8. Secondly. mapped on the gage region of the specimen at with high stress concentrations. consisting of 15. Thus. Fig. (For interpretation of the references to color in this figure caption. deform hardly thickness of the soft grain gets thinner as deformation progresses to compared with neighboring grains with high Schmid factors. G34. 8(b)). the reader is referred to the web version of this paper. the 259 . 0. 12(a) shows the distribution of surface roughness developed on deformed specimen was measured by the shadow Moiré method the deformed specimen which was measured by the shadow Moiré (Akrometrix.0083 mm/s at room temperature and of the axial displacements along the paths than the measured one. protrudes relative to the soft grain. Boundary conditions are given to simulate the macroscopic incompatibility of the soft and hard grains during shear deformation. A CCD grain having different initial crystallographic orientation. protrusion of the Fig. the G19. Ha et al. It is observed Fig. 8(b)) reveals that two mechanisms stress tensor can be written as σ (e1 ⊗ e2 + e2 ⊗ e1). Closer observation in conjunction grains. CPFEM results predict rather sharp change the specimen with a velocity of 0. USA) by using a 100 LPI (line per inch) grating. protrusion at the grain lographic orientation was extracted in the form of the Euler angles boundary between G05 and G01. Then. grain numbers in this region is also shown. (a) IPF map of the undeformed sample measured by EBSD (b) Schmid factor map based on the EBSD measurement results and (c) finite element model of the simple shear specimen (The color mapping is not relevant to the stereographic triangle shown in (a)). 13 shows the distribution of the equivalent stress. the subsequent EBSD measurement. when distribution of Schmid factors based on the EBSD measurement results hard and soft grains are arranged side by side in such a way that the of the undeformed specimen. After a simple shear Cheong and Busso [69] have attributed this gentle slope of the actual test. The difference between the highest peak and the lowest The Schmid factor is useful for identifying whether individual valley is about 702 μm. compression [3]. that is approximately one-third of the grains are kinematically soft or hard compared with neighboring undeformed specimen thickness. For example.0. which have low Schmid factors. the with the Schmid factor map (Fig. Fig. The large peak at the left uppermost corner. 9 shows the distributions of the axial displacement measured that grain boundaries formed between soft and hard grains are regions by the DIC method. a white spray was coated on the different to the actual profile. and only the gage axial displacement is observed in the multicrystalline specimen. Although uniform in a FE-SEM with a step size of 30 μm and a magnification of 60. which leads direction) of the undeformed simple shear specimen according to the to the heterogeneous distribution of the axial displacement. e. At the beginning of deformation. Figs. non-uniform direction) and RD (rolling direction). is due to the failure of the Moiré fringe measurement surface to enhance the scattered reflection. However. images were recorded at 1 fps (frame per second). the hard grain. Little region of 40 mm in height and 5 mm in width was measured. we compare the distribution of the fixed in all directions while the nodes on the right side move downward axial displacement along the path in the y-direction. In the configuration of the current experimental set-up. G18.000 C3D8R elements.37]. deformation induced anisotropy is conspicuous for each constituent The simple shear apparatus was used in the previous study. soft grains dominantly take over the external shear loading. 60% shear strain was applied to displacements. and G47. 8(b) shows the are responsible for the development of surface roughness. which seems to be To obtain clear fringe patterns. G19. EBSD measurements were conducted shear strains are respectively 0. 8(c) shows the finite element model of the simple shear soft grain can occur due to the pile-up of materials near the grain specimen. the surface profile of the Fig. AXP.2.. It is expected that grains such as G01.8. simple shear loading condition.33. 10 and 11 show that the predicted sample surface was decorated with the fine black spray to enhance the results reasonably agree with the experimentally measured axial image contrast for better correlation. and plane digital image correlation (DIC) method during simple shear test.6. boundary that is pushed by the hard grain. it can be drawn that the from the EBSD measurement results and used as an input for the CPFE formation of the surface roughness comes from the deformation model. Fig. grains G10. method.g.4. respectively. 0. Firstly.S. G18. 8(a) deformation occurs in kinematically hard grains having low Schmid shows the inverse pole figure (IPF) map with respect to the ND (normal factors from the initial stage of deformation (see Fig. the nodes on the left side were For the quantitative comparison.

We developed a of the dislocation-density-based crystal plasticity model is then vali- monolithic iterative scheme. 11. little deformation occurs in adjacent hard grains. to maintain compatibility between these grains. 10. (b) 0. a new time-integration algorithm is presented for the the finite element program Abaqus. Axial displacements along the path in the y-direction: experimental data (circle) and CPFEM results (line). Ha et al.2.0. passes the use of a heuristic convergence criterion based on the slip resistance instead of dislocation densities and the closed form of the 5.4. Conclusion consistent tangent moduli. therefore. (b) 0. the heterogeneous distribution of Fig. Under such conditions. Distributions of the axial displacement measured by DIC method when the external macroscopic shear strains are respectively (a) 0. This kind of issue cannot be dealt by the local model considered here.S. the axial displacement can be reproduced well by the current computa- tional model.6. Distributions of the axial displacement predicted by CPFEM when the external macroscopic shear strains are respectively (a) 0. (c) 0. International Journal of Mechanical Sciences 120 (2017) 249–262 Fig. 9. Several researchers have characterized the slip transfer or annihilation across grain boundaries according to the characteristics of the grain boundary [2].4. based on the fully backward Euler crystals. We will not go into further details here on the explicit considerations of the slip transfer or annihilation across grain boundaries. where no characteristic microstructural length scale has been introduced. Nevertheless. significant deformation concentrates on the grain boundaries. we fitted material parameters for plastic flow and method for the integration of the constitutive model. The constitutive models and time-integra- tion procedures have been implemented as a user-subroutine UMAT of In this paper. in which stresses were solved simulta- dated with the experimental results of aluminum single and multi- neously with dislocation densities. Fig. The finite element implementation dislocation-density-based crystal plasticity model. (d) 0. soft grains deform before other harder grains and deformation begins to concentrate continuously. First. (c) 0.6.2. which encom- 260 .

93:66–79. predictions capture well the different pile-up patterns of single crystals [5] Hurtado DE. Antretter T. International Journal of Mechanical Sciences 120 (2017) 249–262 Fig. Lambros J. (b) 0. good agreement with other crystallographic orientations in tension. Slip transfer and dislocation evolutions for the constitutive model against the stress– plastic strain accumulation across grain boundaries in Hastelloy X. Acta Mater 2010. Micromechanics of crystals and polycrystals. Int J Numer Methods Eng 2012. Zaefferer S. Busso EP. experiments. Suresh S. Acknowledgments We gratefully thank Dr. Bieler TR. 2003. Raabe D. Finally. It is believed that the localized [10] Roters F. Asaro RJ.55:1757–68. Finite element analysis of geometrically necessary disloca- during nanoindentation due to the symmetry of activated slip systems tions in crystal plasticity. Overview of plastic deformation near grain boundaries and slip transfer across constitutive laws. thickening of the specimen are attributed to the kinematic hardness [9] Freund LB. Roters F. References Fig. Knowles DM. Finite element implementation of a [001] and [112].24:2278–97. Pippan R. the [6] Hansen BL. Adv Appl Mech grains will be addressed in future work. [8] Zhao Z. Radovitzky R. i. Sangid MD. Acta Mater 2009. plasticity model which does not contain any length-scale related [11] Peirce D.4.60:1201–20. Acta Metall 1982. 12. Cuitino AM. plasticity model for pure aluminum.S. Ke-Shen Cheong for the input of the finite element implementation and Ms.57:5936–46. Volker B.2. [2] Abuzaid WZ. adopted from the determined material parameters. Beyerlein IJ. 1983. Bronkhorst CA. Int J Plast 2013. A non-local crystal plasticity model that considers the deformation in ductile single crystals. strain curve of the [111] oriented single crystal and showed that the [3] Cheong KS. An analysis of nonuniform and localized parameters. Raabe D. 13. Predicting fatigue crack initiation through predictions. Mastorakos IN. Acta Mater 2007. O'Dowd NP. defect formation and surface evolution.17:601–40. Zhao Z. Hantcherli L. Eisenlohr P. Dennis-Koller D. Cerreta EK. Acta Mater 2012. Smillie MJ. Field DP.23:1–115.60:2379–86. Non-uniform deformation fields measured by the DIC method results. Sehitoglu H. A dislocation-density-based 3D crystal predicted result by CPFEM. of grains and plastic incompressibility. Kleber S. so-called size effect arising from strain gradients among interacting [12] Asaro RJ.58:1152–211. Moreover.44:129–46. Carroll JD. [13] Raabe D. are in image-based micromechanical modeling. J Mech Phys Solids 2012. current numerical procedure was used to predict the deformation [7] Rehrl C. Perspective views of the surface roughness of the pure aluminum multicrystal after simple shear: (a) the measurement result by Shadow Moiré method and (b) the [1] Alankar A. Thin film materials: stress. Ramesh M. Ortiz M. Investigation of three- and surface profiles measured by the shadow Moiré method were well dimensional aspects of grain-scale plastic surface deformation of an aluminum reproduced by numerical predictions. Cambridge: Cambridge University Press. [4] Meissonnier FT. Tjahjanto DD. Distributions of the equivalent stresses predicted by CPFEM when the external macroscopic shear strains are respectively (a) 0. Micromechanical and 261 .e. (c) 0. it was demonstrated that the model generalised non-local rate-dependent crystallographic formulation for finite strains. Sachtleber M. Crystal orientation changes: a response of the aluminum multicrystalline specimen under simple comparison between a crystal plasticity finite element study and experimental shear.30:1087–119. kinematics. applications. Ha et al. Kim Hye Kyoung for assistance with EBSD measurements.6. Int J Plast 2001. Non-uniform straining and oligocrystal. according to the initial crystallographic orientations. A disloca- tion-based multi-rate single crystal plasticity model. homogenization and multiscale methods in crystal grain boundaries cannot be predicted by the current local crystal plasticity finite-element modeling: theory. Int J Plast 2008. Needleman A.

[40] Cheong KS.50:1979–2009. Haddadi H. Work hardening in heterogeneous alloys—a nanoindentation of single crystal copper. Plastic heterogeneities of a copper multicrystal crystalline f. Large plastic deformation of crystalline aggregates. Raabe D.76:165422. Measurement of hardness and elastic modulus by instru- dislocation densities. crystals at low temperatures. editors. Ikawa S.35:1565–88. 1998. Zikry MA.58:1565–77. interaction. Leibfried G. A constitutive algorithm for rate-dependent crystal [22] Kraska M. A time integration algorithm for elastic- aluminum alloy sheets. Groh S. 8. Application of crystal plasticity model. Int J Plast [54] Zhang K. viscoplastic cubic crystals applied to modelling polycrystalline deformation. Direct observation of orientation [15] Humphreys FJ.59:398–422. Mater Sci Eng A 2005. Doig M. Single-crystal elasto-viscoplasticity: application to texture evolution in polycrystal plasticity. [27] Kalidindi SR. Dawson PR. 235. Hopperstad OS. crystal plasticity: comparison of multi. A dislocation density based constitutive model for crystal [28] Chang YW. Int J Numer Methods Eng ization and predictions. A crystallographic model for the study of local deformation processes in FCC polycrystals. Simple shear tests: experimental [39] Arsenlis A. 262 . Ortiz M. A.172:96–103. Asaro RJ. Discrete dislocation density modelling of single phase FCC [71] Müller H. Crystal plasticity simulation study on the influence of Numer Methods Eng 1992. and strain hardening. ABAQUS/CAE user's manual: version 6. Comput Mater [23] Beaudoin AJ. Komanduri R.117:49–70. [61] Franciosi P. J Mech Phys Solids 2006. stamping simulations based on polycrystal plasticity. [29] Weng GJ. Z Phys [41] Alankar A. Gatti R. [50] Kok S. tion process simulation with explicit use of polycrystal plasticity models. Roters F. plasticity FEM including geometrically necessary dislocations. Numerical integration of lattice rotation in [20] Anand L.and single criterion theories. 2005. Int J Numer Methods Eng using polycrystal constitutive models. response of polycrystalline materials. Cailletaud G. Slip in copper crystals following weak neutron bombardment. [47] Panchanadeeswaran S. Boyle K.165:23–41. Tikhomirov D.25:49–69. Acta Mater 2004. Sci 2009. polycrystalline metals at large strains. Acta Mater 2000. J Inst Met 1938. In: Teodosiu C.52:18–32. Comput Methods Appl Mech Eng 1992. Dislocation density evolution and interactions in crystalline Acta Mater 2004. p. Bammann DJ. Mater Sci Eng A 2002.320:1745. Dawson PR. Raphanel J. Oberflachenerscheinungen auf gedehnter aluminium- polycrystal aggregates. Zhao Z. Raabe D. Latent hardening in copper and aluminum [31] Cuitino AM. J Mech Phys Solids 1994. Mecking H.336:81–7. Acta Metall 1996.29:241–57. Feyel F. J Appl Phys 1965. Tensile deformation of aluminum single [36] Essmann U. Zacharia T. Holmedal B. J Mech Phys Solids 1999. Fivel M. Physics and phenomenology of strain hardening: the FCC [30] Zhang F. Mathur KK. Mishra R. Teodosiu C. Levee P. Bower A. [42] Shanthraj P.19:3–20.8:187–99. Comput Mater Sci 2005. Devincre B. J [45] Mayeur JR.63:548–68. Varghese S. Int J Numer Methods Eng [21] Zhao Z. Int [59] Alankar. Finite element formulation for modelling large deforma- 2004.435:21–41. Orientation dependence of nanoindentation explicitly dislocation-based crystal plasticity model. single crystals studied by nanoindentation.46:785–99. Pharr GM. Comput Methods Appl Mech Eng [55] Sarma G. Lu H.54:2169–79.48:4181–9. Comput Methods Appl Mech Eng 1996. Comput Methods Appl Mech Eng [51] Matous K. 2012. CISM courses and small scales. change by channel die compression of polycrystalline aluminum – use of a split vol. crystals. Dislocation mean free paths and strain hardening of [34] Tabourot L.52:5791–804. Computational inelasticity. [18] Taylor GI. Udine. Cuitino AM. Hatherly M. [16] Asaro RJ. Berlin: Springer Verlag. Int J Plast 2008. Wang Y. [69] Cheong K-S. Numerical simulations of necking during case. Zaoui A. the indentation size effect using a strain gradient crystal plasticity model. single crystals. [57] Busso EP. Gil Sevillano J. Rey C. Wu TY. [25] Yoshida K. [63] Zhou C. tions in elasto-viscoplastic polycrystals. Acta Mater 2007. Acta Metall [74] Eidel B. Investigation of integration algorithms for 2009. [48] Ling X. Maniatty AM. Experimental investigation of plastic grain Mater Sci 2014. Anisotropic hardening in single crystals and plasticity of polycrystals. J Mech Phys Solids deformed in uniaxial tension: experimental study and finite element simulations. Tabourot L. [49] Miehe C. [65] Simo JC. Plastic strain in metals. Macroscopic shape change and evolution of crystallographic Int J Plast 2005. Acta Metall 1981. Easy glide [66] Abaqus.39:3367–90. continuous model revisited.54:671–89. On the selection of active slip systems in crystal plasticity. 2006. Lee YS. [62] Vattré A. Acta Mater 2001.48:171–273. sample. Raabe D. 153–8. Dawson PR.28:273–83. [44] Prasad GVSS. A study of surface roughening in fcc metals 2004. einkristallen in ihrer abhangigkeit von der dehngeschwindigkeit. Effects of lattice misorientations on strain heterogeneities in [38] Harder J. tensile deformation of aluminum single crystals. [73] Liu Y. Acta Mater 2011. [70] Bouvier S. 1993. Gottstein G.36:3380.99:239–62. Numerical analysis of simulation. McDowell DL.94:201–28. An experimental study of shear localization in aluminum. Plastic anisotropy of electro-deposited pure α-iron 1955. polycrystals. Backofen WA. Kocks UF. Goerdeler M. Acta Metall 1980. A robust and efficient 1993. Rapp M. Analytical character. pile-up patterns and of nanoindentation microtextures in copper single crystals. microstructural approach based on three internal state variables. p.62:307–24. Acta Metall 2010. Potirniche GP.50:101–26. Kubin L. [52] Rashid MM.24:1990–2015. [67] Hosford WF. substepping scheme for the explicit numerical integration of a rate-dependent [24] Beaudoin AJ. mented indentation: advances in understanding and refinements to methodology. Raabe D.60:2313–33. Yoshino M. International Journal of Mechanical Sciences 120 (2017) 249–262 macromechanical effects in grain scale polycrystal plasticity experimentation and [46] Gonzalez D. Acta Metall 1973. 2002. Phys Rev B 2007. Crystal plasticity.42:459–90.59:398–422. Roters F. Doherty RD.21:2212–31.3:225–63.21:1305. Ma J. Dawson PR.400–401:231–3. Raabe D. Hamza AV. Alkorta J. 1995. Roters F. [68] Balasubramanian S. [58] Ma A. Raabe D. Mathur KK. Kluber C.48(5):1075–87. Busso EP. Elastoplastic finite element analyses of metal deformation plicative elastoplasticity for single crystals.c.3:315–39. Dislocation-based micropolar single Mater Res 2004. texture in pre-textured FCC metals.49:3433–41. Computational modeling of single-crystals. 1998.193:5359–83. Berstad T. Modeling the evolution of crystallographic dislocation techniques and characterization of the plastic anisotropy of rolled sheets at large density in crystal plasticity. [35] Gillis PP. LeSar R. Work hardening model based on multiple [75] Oliver WC. Hopperstad OS. Acta Mater 2004. Sidoroff F. Int J Numer Methods Eng 2001.82:314–9. Recrystallization and related annealing phenomena. J Mech Phys [76] Biener MM. Gilman J. Elasto-viscoplastic constitutive equations for poly- [37] Delaire F. 2012.52:1487–500.52:5665–75. Radovitzky R. Kuroda M. rate-dependent single crystal plasticity formulations.12.52:7695–702. Tortorelli DA.34:221–34.c. polycrystal plasticity to sheet forming.59:1761–71. et al. Mater Sci Eng A 1997. Crystal plasticity finite-element analysis versus experimental results of 2000. Hodge AM. Int J [26] Raabe D. Int J Plast 2009. Latent hardening in single crystals – II. Exponential map algorithm for stress updates in anisotropic multi- [19] Marin EB. J Mech Phys Solids 2002. Private communications. Acta Metall copper single crystals. Dislocation nucleation in bcc Ta Solids 2011. Berveiller M. Field DP. texture on earing in steel. Hughes TJR. Roters F. rate-dependent crystal plasticity using explicit finite element codes. Horstemeyer MF. Johnson GC. Virtual material testing for plasticity.52:2229–38. Acta Mater 2011.9:833–60. Large plastic deformations MECAMAT'91. II. Busso EP. strains. Korzekwa DA. Int J Numer Methods Eng 2014. Comput [14] Sachtleber M. Integration algorithm for modeling the elasto-viscoplastic 1994. Gottstein G. Finite element simulation of the large plasticity by 3d dislocation dynamics and the finite element method: the discrete- elastoplastic deformation of multi-crystals.142:87–115.S.c. Rauch E. Becker R. Mater Sci 1992. Anand L. J Mater Process Technol 2006. Discrete dislocation dynamics simulations of plasticity at [33] Teodosiu C. J Appl Mech 1983. Rotterdam: Balkema. Acta Mater 1960. Proc R Soc Lond A 1991.234–236:639–42. Comput Mater Sci [53] Dumoulin S. Raphanel JL. Parks DM. Hoc T.c. lectures No. Biner B. Martinez-Esnaola JM. Model Simul single crystals. Beaudoin AJ. pyramidal indentation into (001) fcc single crystal. Ha et al. Prog Mater Sci 2003. Anand L. Fleischer RL.50:921–34.44:1233–62. materials at low homologous temperature. materials. Three-dimensional deforma. Biener J. [60] Kocks UF. Modelling crystal [32] Teodosiu C. Dynamical dislocation theory of crystal plasticity. using direct numerical simulation. Orientation effects in [43] Roters F. Oxford: Pergamon Press. Ishizaka T.46:383–92. Generalised constitutive laws for f. Nemat-Nasser S. Int J Plast 1999. 376. On the numerical implementation of 3D [17] Bassani JL. Jamond O. 1997. DassaultSystemes. J Mech Phys Solids 2008. The effects of texture on formability of [56] Maniatty AM. New York: Springer.47:1219–38. Dumoulin S. with sharp crystallographic 〈111〉// texture in normal direction: analysis by an [72] Wang Y. Int J Plast 2014.58:1152–211.15:605–24. [64] Devincre B. Science 2008. J Plast 1987.