Multiscale modeling of plasticity based on embedding the viscoplastic self-consistent formulation in implicit finite elements

This paper is concerned with the multiscale simulation of plastic deformation of metallic specimens using physically-based models that take into account their polycrystalline microstructure and the directionality of deformation mechanisms acting at single-crystal level. A polycrystal model based on self-consistent homogenization of single-crystal viscoplastic behavior is used to provide a texture-sensitive constitutive response of each material point, within a boundary problem solved with finite elements (FE) at the macroscale. The resulting constitutive behavior is that of an elasto-viscoplastic material, implemented in the implicit FE code ABAQUS. The widely-used viscoplastic selfconsistent (VPSC) formulation for polycrystal deformation has been implemented inside a user-defined material (UMAT) subroutine, providing the relationship between stress and plastic strain-rate response. Each integration point of the FE model is considered as a polycrystal with a given initial texture that evolves with deformation. The viscoplastic compliance tensor computed internally in the polycrystal model is in turn used for the minimization of a suitable-designed residual, as well as in the construction of the elasto-viscoplastic tangent stiffness matrix required by the implicit FE scheme.Uniaxial tension and simple shear of an FCC polycrystal have been used to benchmark the accuracy of the proposed implicit scheme and the correct treatment of rotations for prediction of texture evolution. In addition, two applications are presented to illustrate the potential of the multiscale strategy: a simulation of rolling of an FCC plate, in which the model predicts the development of different textures through the thickness of the plate; and the deformation under 4-point bending of textured HCP bars, in which the model captures the dimensional changes associated with different orientations of the dominant texture component with respect to the bending plane.     

A two-dimensional finite element method for simulating the constitutive response and microstructure of polycrystals during high temperature plastic deformation

We describe a finite element method designed to model the mechanisms that cause superplastic deformation. Our computations account for grain boundary sliding, grain boundary diffusion, grain boundary migration, and surface diffusion, as well as thermally activated dislocation creep within the grains themselves. Front tracking and adaptive mesh generation are used to follow changes in the grain structure. The method is used to solve representative boundary value problems to illustrate its capabilities.     

On the r-value of textured sheet metals

The r-value of a sheet metal is a measure of plastic anisotropy frequently used for prediction of performance in deep-drawing. It has also figured prominently in the literature for validation of theories where the predicted angular dependence of r is compared with the measured dependence. As plastic anisotropy in sheet metals is caused mainly by the preferred orientations of grains within the polycrystalline metal, it is natural to ask how r would depend on the orientation distribution function (ODF) w which defines the crystallographic texture of the polycrystal. In this paper a general formula relating r to w is derived for textured sheet metals whose plastic flow behavior is governed by a plastic potential f(σ, w), the anisotropic part of which depends linearly on the texture coefficients; here σ denotes the deviator of the Cauchy stress. Specific forms of this formula for orthorhombic sheets of cubic and of hexagonal metals are explicitly given.     

A three-dimensional crystal plasticity model for duplex Ti–6Al–4V

A rate dependent crystal plasticity model for the α/β Ti–Al alloy Ti–6Al–4V with duplex microstructure is developed and presented herein. Duplex Ti–6Al–4V is a dual-phase alloy consisting of an hcp structured matrix primary α-phase and secondary lamellar α + β domains that are composed of alternating layers of secondary α laths and bcc structured residual β laths. The model accounts for distinct three-dimensional slip geometry for each phase, anisotropic and length scale dependent slip system strengths, the non-planar dislocation core structure of prismatic screw dislocations in the primary α-phase, and crystallographic texture. The model is implemented in the general purpose finite element code (ABAQUS, 2005. Ver 6.5, Hibbitt, Karlsson, and Sorensen, Inc., Pawtucket, RI) via a UMAT subroutine.     

EBSD-based continuum dislocation microscopy

Recent advances in high-resolution electron backscatter diffraction (EBSD)-based microscopy are applied to the characterization of elastic fields and incompatibility structures near the grain boundaries (GBs) in polycrystals. Two main recoveries are reported here: surface geometrically necessary dislocation (density) tensors, as described by Kröner, and the elastic fields near cracks (unconsolidated portions of interface) in loaded samples. Context for the application of these recoveries is described, using Green’s function solutions for combined heterogeneity and dislocation. Featured recoveries required the cross-correlation based determination of the elastic distortion tensor, aided by application of the simulated pattern method, and determination of the absolute pattern center utilizing the expected pattern properties in a spherical Kikuchi reference frame. High-resolution data obtained along an ultrasonically consolidated nickel boundary of varying amalgamation indicates that the imposed traction free boundary condition at free surfaces is well observed in the data structure. Further, high-resolution data acquired near a single grain boundary in well-annealed, low content steel suggests that it may be possible to measure the intrinsic elastic properties of GBs.     

A finite element formulation based on non-associated plasticity for sheet metal forming

In the present paper, a finite element formulation based on non-associated plasticity is developed. In the constitutive formulation, isotropic hardening is assumed and an evolution equation for the hardening parameter consistent with the principle of plastic work equivalence is introduced. The yield function and plastic potential function are considered as two different functions with functional form as the yield function of Hill [Hill, R., 1948. Theory of yielding and plastic flow of anisotropic metals. Proc. Roy. Soc. A 193, 281–297] or Karafillis–Boyce associated model [Karafillis, A.P. Boyce, M., 1993. A general anisotropic yield criterion using bounds and a transformation weighting tensor. J. Mech. Phys. Solids 41, 1859–1886]. Algorithmic formulations of constitutive models that utilize associated or non-associated flow rule coupled with Hill or Karafillis–Boyce stress functions are derived by application of implicit return mapping procedure. Capabilities in predicting planar anisotropy of the Hill and Karafillis–Boyce stress functions are investigated considering material data of Al2008-T4 and Al2090-T3 sheet samples. The accuracy of the derived stress integration procedures is investigated by calculating iso-error maps.     

Crystal plasticity modeling of slip activity in Ti–6Al–4V under high cycle fatigue loading

Deformation micromechanisms of a Ti–6Al–4V alloy under fatigue loading at room temperature are studied using a three-dimensional crystal plasticity constitutive model. The model employs a minimum set of fitting parameters based on experimental data for Ti–6Al–4V. Single slip is strongly favored through a softening law that affects mainly the driving force for slip on the first activated slip system. Cyclic deformation behavior at the macroscopic scale and at the local scale of grains is analyzed through the simulation of 20 cycles of fatigue on a polycrystalline structure of 900 randomly oriented grains. The progressive activation of slip (basal, prismatic, and pyramidal) is analyzed and compared to experimental observations.     

Necking in glassy polymers: Effects of intrinsic anisotropy and structural evolution kinetics in their viscoplastic flow

Two recently proposed developments of the Glass–Rubber constitutive model for glassy polymers treat the viscoplastic deformation as intrinsically anisotropic, and incorporate the kinetics of structural evolution. These features enable the model to capture better the distinctive features of glassy polymers’ constitutive response: post-yield strain-softening and strain-hardening and effects of pre-existing molecular orientation. They have been combined to form a new variant of the model, and the consequences for necking have been explored. Uniaxial extension of prismatic bars was simulated using the finite element method, employing a numerical implementation of the new model, with material parameters of polystyrene. Strain localization predicted with the new model was found to be systematically retarded as compared to predictions with the original (intrinsically isotropic) version of the model, for the same conditions. In particular, the effect of frozen-in molecular orientation was examined. This was found to retard strain localization for stretching parallel to the orientation direction, for both models. But the localization predicted with the new model was always significantly less pronounced than with the original model. Indeed, for sufficiently high pre-orientation (e.g. a uniaxial stretch of 2.2), localization could be effectively prevented with the new model, under conditions when otherwise failure by necking is predicted. Such results can all be explained in terms of a linear stability analysis. They suggest that all previous simulations of necking in glassy polymers made using intrinsically isotropic representations of polymer viscoplasticity may have over-predicted the rate of strain localization.     

Elastic properties of model random three-dimensional open-cell solids

Most cellular solids are random materials, while practically all theoretical structure-property relations are for periodic models. To generate theoretical results for random models the finite element method (FEM) was used to study the elastic properties of open-cell solids. We have computed the density (ρ) and microstructure dependence of the Young's modulus (E) and Poisson's ratio (ν) for four different isotropic random models. The models were based on Voronoi tessellations, level-cut Gaussian random fields, and nearest neighbour node-bond rules. These models were chosen to broadly represent the structure of foamed solids and other (non-foamed) cellular materials. At low densities, the Young's modulus can be described by the relation E∝ρⁿ. The exponent n and constant of proportionality depend on microstructure. We find 1.3<n<3, indicating a more complex dependence than indicated by periodic cell theories, which predict n=1 or 2. The observed variance in the exponent was found to be consistent with experimental data. At low densities we found that ν≈0.25 for three of the four models studied. In contrast, the Voronoi tessellation, which is a common model of foams, became approximately incompressible (ν≈0.5). This behaviour is not commonly observed experimentally. Our studies showed the result was robust to polydispersity and that a relatively large number (15%) of the bonds must be broken to significantly reduce the low-density Poission's ratio to ν≈0.33.     

Crystal plasticity model with enhanced hardening by geometrically necessary dislocation accumulation

A strain gradient dependent crystal plasticity approach is used to model the constitutive behaviour of polycrystal FCC metals under large plastic deformation. Material points are considered as aggregates of grains, subdivided into several fictitious grain fractions: a single crystal volume element stands for the grain interior whereas grain boundaries are represented by bi-crystal volume elements, each having the crystallographic lattice orientations of its adjacent crystals. A relaxed Taylor-like interaction law is used for the transition from the local to the global scale. It is relaxed with respect to the bi-crystals, providing compatibility and stress equilibrium at their internal interface. During loading, the bi-crystal boundaries deform dissimilar to the associated grain interior. Arising from this heterogeneity, a geometrically necessary dislocation (GND) density can be computed, which is required to restore compatibility of the crystallographic lattice. This effect provides a physically based method to account for the additional hardening as introduced by the GNDs, the magnitude of which is related to the grain size. Hence, a scale-dependent response is obtained, for which the numerical simulations predict a mechanical behaviour corresponding to the Hall-Petch effect. Compared to a full-scale finite element model reported in the literature, the present polycrystalline crystal plasticity model is of equal quality yet much more efficient from a computational point of view for simulating uniaxial tension experiments with various grain sizes.     

Electroelastic field concentrations ahead of electrodes in multilayer piezoelectric actuators: experiment and finite element simulation

The effects of applied voltage on the electroelastic field concentrations ahead of electrodes in multilayer piezoelectric actuators were examined in a combined experimental and numerical investigation. Experiments were performed to measure the strain near internal and surface electrodes at various electrical loading conditions. The finite element method was also used to solve the coupled electro-elastic boundary value problem. The strain, stress and electric displacement concentrations were calculated and a non-linear behavior induced by localized polarization switching was discussed. A comparison of strain concentration was made between experiment and simulation.     

Crystal-plasticity finite-element analysis of inelastic behavior during unloading in a magnesium alloy sheet

A crystal-plasticity finite-element analysis of the loading-unloading process under uniaxial tension of a rolled magnesium alloy sheet was carried out, and the mechanism of the inelastic response during unloading was examined, focusing on the effects of basal and nonbasal slip systems. The prismatic and basal slip systems were mainly activated during loading, but the activation of the prismatic slip systems was more dominant. Thus the overall stress level during loading was determined primarily by the prismatic slip systems. The prismatic slip systems were hardly activated during unloading because the stress level was of course lower than that during loading. On the other hand, because the strength of the basal slip systems was much lower than that of the prismatic slip systems, the basal slip systems would be easily activated under the stress level during unloading in the opposite direction when their Schmid’s resolved shear stresses changed signs because of the inhomogeneity of the material. These results indicated that one explanation for the inelastic behavior during unloading was that the basal slip systems were primarily activated owing to their low strengths compared to that of the prismatic slip systems. Numerical tests using the sheets with random orientations and with the more pronounced texture were conducted to further examine the mechanism.     

Modeling finite deformations in trigonal ceramic crystals with lattice defects

A model is developed for thermomechanical behavior of defective, low-symmetry ceramic crystals such as α$\alpha$-corundum. Kinematics resolved are nonlinear elastic deformation, thermal expansion, dislocation glide, mechanical twinning, and residual lattice strains associated with eigenstress fields of defects such as dislocations and stacking faults. Multiscale concepts are applied to describe effects of twinning on effective thermoelastic properties. Glide and twinning are thermodynamically irreversible, while free energy accumulates with geometrically necessary dislocations associated with strain and rotation gradients, statistically stored dislocations, and twin boundaries. The model is applied to describe single crystals of corundum. Hardening behaviors of glide and twin systems from the total density of dislocations accumulated during basal slip are quantified for pure and doped corundum crystals. Residual lattice expansion is predicted from nonlinear elasticity and dislocation line and stacking fault energies.     

Constitutive modeling for anisotropic/asymmetric hardening behavior of magnesium alloy sheets: Application to sheet springback

The constitutive model for the unusual asymmetric hardening behavior of magnesium alloy sheet presented in a companion paper (Lee, M.G., Wagoner, R.H., Lee, J.K., Chung, K., Kim, H.Y., 2008. Constitutive modeling for anisotropic/asymmetric hardening behavior of magnesium alloy sheet, Int. J. Plasticity 24(4), 545–582) was applied to the springback prediction in sheet metal forming. The implicit finite element program ABAQUS was utilized to implement the developed constitutive equations via user material subroutine. For the verification purpose, the springback of AZ31B magnesium alloy sheet was measured using the unconstrained cylindrical bending test of Numisheet (Numisheet ’2002 Benchmark Problem, 2002. In: Yang, D.Y., Oh, S.I., Huh, H., Kim, Y.H. (Eds.), Proceedings of 5th International Conference and Workshop on Numerical Simulation of 3D Sheet Forming Processes, Jeju, Korea) and 2D draw bend test. With the specially designed draw bend test the direct restraining force and long drawn distance were attainable, thus the measurement of the springback could be made with improved accuracy comparable with conventional U channel draw bend test. Besides the developed constitutive models, other models based on isotropic constitutive equations and the Chaboche type kinematic hardening model were also considered. Comparisons were made between simulated results by the finite element analysis and corresponding experiments and the newly proposed model showed enhanced prediction capability, which was also supported by the simple bending analysis adopting asymmetric stress–strain response.     

Embedded polycrystal plasticity and adaptive sampling

A simulation capability for multi-scale embedded polycrystal plasticity is demonstrated with over two orders of magnitude wall-clock speedup compared to direct embedding. In the coarse-scale material model, the visco-plastic part of the material response is based on parameters determined from polycrystal level fine-scale calculations. Polycrystal plasticity parameters are approximated from fine-scale calculations using adaptive sampling to substantially reduce the total number of expensive fine-scale calculations which must be performed. The adaptive sampling method uses Kriging models for local interpolation of the fine-scale plasticity parameters and a metric-tree database for storage and retrieval of the fine-scale response models. Efficacy of the method is demonstrated through a variety of example problems involving both quasi-static and dynamic loading scenarios.     

A non-associated constitutive model with mixed iso-kinematic hardening for finite element simulation of sheet metal forming

In this paper an anisotropic material model based on non-associated flow rule and mixed isotropic–kinematic hardening was developed and implemented into a user-defined material (UMAT) subroutine for the commercial finite element code ABAQUS. Both yield function and plastic potential were defined in the form of Hill’s [Hill, R., 1948. A theory of the yielding and plastic flow of anisotropic metals. Proc. R. Soc. Lond. A 193, 281–297] quadratic anisotropic function, where the coefficients for the yield function were determined from the yield stresses in different material orientations, and those of the plastic potential were determined from the r-values in different directions. Isotropic hardening follows a nonlinear behavior, generally in the power law form for most grades of steel and the exponential law form for aluminum alloys. Also, a kinematic hardening law was implemented to account for cyclic loading effects. The evolution of the backstress tensor was modeled based on the nonlinear kinematic hardening theory (Armstrong–Frederick formulation). Computational plasticity equations were then formulated by using a return-mapping algorithm to integrate the stress over each time increment. Either explicit or implicit time integration schemes can be used for this model. Finally, the implemented material model was utilized to simulate two sheet metal forming processes: the cup drawing of AA2090-T3, and the springback of the channel drawing of two sheet materials (DP600 and AA6022-T43). Experimental cyclic shear tests were carried out in order to determine the cyclic stress–strain behavior and the Bauschinger ratio. The in-plane anisotropy (r-value and yield stress directionalities) of these sheet materials was also compared with the results of numerical simulations using the non-associated model. These results showed that this non-associated, mixed hardening model significantly improves the prediction of earing in the cup drawing process and the prediction of springback in the sidewall of drawn channel sections, even when a simple quadratic constitutive model is used.     

Second-order theory for the effective behavior and field fluctuations in viscoplastic polycrystals

A recently developed “second-order” homogenization procedure (Ponte Castañeda (J. Mech. Phys. Solids 50 (2002a, b) 737, 759)) is extended to viscoplastic polycrystals and applied to compute the effective response of a certain special class of isotropic polycrystals. The method itself reduces to a simple expression requiring the computation of the averages of the stress field and the covariances of its fluctuations over the various grain orientations in an optimally selected “linear comparison polycrystal”. Therefore, the method not only allows the determination of the effective behavior of the polycrystal, but as a byproduct also yields information on the heterogeneity of the stress and strain-rate fields within the polycrystal. An application is given for a model 2-dimensional, isotropic polycrystal with power-law behavior for the constituent grains. The resulting predictions for the effective behavior are found to satisfy sharp bounds available from the literature and to be consistent with the results of recent numerical simulations. The associated averages and fluctuations of the stresses and strain rates are found to depend strongly on the strain-rate sensitivity (i.e., nonlinearity) and grain anisotropy. In particular, the stress and strain-rate fluctuations were found to grow and become strongly anisotropic with increasing values of the nonlinearity and grain anisotropy parameters.     

An atomistic-based finite deformation membrane for single layer crystalline films

A general methodology to develop hyper-elastic membrane models applicable to crystalline films one-atom thick is presented. In this method, an extension of the Born rule based on the exponential map is proposed. The exponential map accounts for the fact that the lattice vectors of the crystal lie along the chords of the curved membrane, and consequently a tangent map like the standard Born rule is inadequate. In order to obtain practical methods, the exponential map is locally approximated. The effectiveness of our approach is demonstrated by numerical studies of carbon nanotubes. Deformed configurations as well as equilibrium energies of atomistic simulations are compared with those provided by the continuum membrane resulting from this method discretized by finite elements.     

X-ray microdiffraction and strain gradient crystal plasticity studies of geometrically necessary dislocations near a Ni bicrystal grain boundary

We compare experimental measurements of inhomogeneous plastic deformation in a Ni bicrystal with crystal plasticity simulations. Polychromatic X-ray microdiffraction, orientation imaging microscopy and scanning electron microscopy, were used to characterize the geometrically necessary dislocation distribution of the bicrystal after uniaxial tensile deformation. Changes in the local crystallographic orientations within the sample reflect its plastic response during the tensile test. Elastic strain in both grains increases near the grain boundary. Finite element simulations were used to understand the influence of initial grain orientation and structural inhomogeneities on the geometrically necessary dislocations arrangement and distribution and to understand the underlying materials physics.