Heterogeneous crystal and poly-crystal plasticity modeling from a transformation field analysis within a regularized Schmid law

The regularized Schmid law (RSL) has recently been proposed as a plastic flow criterion for poly-crystals under the crude assumptions of either uniform stress or uniform strain. We first reconsider this law for application to heterogeneous intra-crystalline plasticity, with reference to a Homogeneous Equivalent Super-Crystal. We then extend the modeling to poly-crystals with the goal to account for both stress and strain heterogeneities within as well as between grains. The transformation field analysis (TFA) is used as the homogenization procedure. This TFA is known to be accurate for materials that can be described as assemblies of plastically homogeneous domains. Otherwise, the estimates of the material effective behavior that result from its application are too stiff. Because stress and strain fields are almost everywhere uniform in laminates, we consider crystal slip organizations into multi-laminate structures. It is demonstrated that laminate layers either parallel to slip planes or normal to slip directions do not contribute to the over-stiffness due to the TFA. Thus, hierarchical multi-laminate (HML) structures are introduced where the successive laminate orientations are taken parallel to the crystal slip planes. It is shown that a conveniently weighted superposition of all the possible plane hierarchies cancels out most of the undesirable TFA contributions to the overall stiffness estimates. A relevant extension to poly-crystal plasticity of this (RSL-TFA-HML) modeling is presented.     

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 multiscale approach for modeling scale-dependent yield stress in polycrystalline metals

Modeling of scale-dependent characteristics of mechanical properties of metal polycrystals is studied using both discrete dislocation dynamics and continuum crystal plasticity. The initial movements of dislocation arc emitted from a Frank-Read type dislocation source and bounded by surrounding grain boundaries are examined by dislocation dynamics analyses system and we find the minimum resolved shear stress for the FR source to emit at least one closed loop. When the grain size is large enough compared to the size of FR source, the minimum resolved shear stress levels off to a certain value, but when the grain size is close to the size of the FR source, the minimum resolved shear stress shows a sharp increase. These results are modeled into the expression of the critical resolved shear stress of slip systems and continuum mechanics based crystal plasticity analyses of six-grained polycrystal models are made. Results of the crystal plasticity analyses show a distinct increase of macro- and microscopic yield stress for specimens with smaller mean grain diameter. Scale-dependent characteristics of the yield stress and its relation to some control parameters are discussed.     

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.     

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.     

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.     

Elastic/crystalline viscoplastic finite element analyses of single- and poly-crystal sheet deformations and their experimental verification

The elastic/crystalline viscoplastic constitutive equation, based on a newly proposed hardening-softening evolution equation, is introduced into the dynamic-explicit finite element code “Itas-Dynamic.” In the softening evolution equation, the effective distance and the angle between each slip system of a crystal are introduced to elucidate the interaction between the slip systems, which causes a decrease of dislocation density. The polycrystal sheet is modeled by Voronoi polygons, which correspond to the crystal grains; and by the selected orientations, which can relate to the texture, they are assigned to the integration points of the finite elements. We propose a direct crystal orientation assignment method, which means that each integration point of finite element has an assigned orientation, and its orientation can be rotated independently. Therefore, this inhomogeneous polycrystal model can consider the plastic induced texture development and subsequent anisotropy evolution. The parameters of the constitutive equation are identified by uni-axial tension tests carried out on single crystal sheets. Numerical results obtained for sheet tensions are compared with experimental ones to confirm the validity of our finite element code. Further, we investigate the following subjects: (1) how the initial orientation of single crystal affects slip band formation and strain localization; (2) how the grain size and particular orientations of the grain affect the strain localization in case of a polycrystal sheet. It is confirmed that the orientation of a single crystal can be related to the primary slip system and the deformation induced activation of that system, which in turn can be related to the slip band formation of the single crystal sheet. Further, in case of a polycrystal sheet, the larger the grain size, the more the strain localizes at a specific crystal, which has the particular orientation. It is confirmed through comparisons with experiments that our finite element code can predict the localization of strain in sheets and consequently can estimate the formability of sheet metals.     

Computationally efficient database and spectral interpolation for fully plastic Taylor-type crystal plasticity calculations of face-centered cubic polycrystals

A new computationally efficient database approach to fully plastic Taylor-type crystal plasticity calculations is presented in this paper. In particular, we explore strategies that circumvent the need to repeatedly solve sets of highly non-linear, extremely stiff, algebraic equations with poor convergence characteristics that are inherent to these calculations. The suggested strategies consist of computing only once all of the needed variables in crystal plasticity calculations, storing them, and retrieving the values of interest according to the need in any specific simulation. An algorithm is presented here that facilitates this approach, and involves local spectral interpolation using discrete fourier transform (DFT) methods. The approach described here results in major improvements in the computational time over both the conventional crystal plasticity calculations and our previously developed spectral approach using generalized spherical harmonics (GSH). Details of this new approach are described and validated in this paper through a few example case studies.     

The Facet method: A hierarchical multilevel modelling scheme for anisotropic convex plastic potentials

An entirely new analytical expression describing plastic anisotropy is presented. It is designed to be used in combination with multilevel models. It makes use of the theory of dual plastic potentials, which is shortly revisited. An analysis of convexity is presented. Note that the new method is not optimal when not used in combination with a multilevel model; other methods are better suited for identification on the basis of mechanical test data. Compared with already existing methods which work with multilevel models, the new method has the following advantages: (i) it is automatically convex anywhere in the six-dimensional stress or strain rate space; (ii) it can be used for materials with a stress differential effect, such as hcp metals or pre-strained cubic materials; (iii) its identification procedure is such that not only the Taylor theory, but also more advanced theories, such as the Alamel-model or self-consistent models, can be used to identify the parameters; (iv) an analytical expression of the plastic potential can be obtained in both strain rate and stress space, which is an important advantage when implementing the model in finite element codes for metal forming. Equipotential surfaces in strain rate space and corresponding yield loci obtained by the new method for four materials (one ferrite single crystal, one aluminium alloy and two types of steel) are presented and discussed.     

Modeling the plastic response of thin metal membranes

Using a dislocations-based model of slip and crystal plasticity, we show by illustrative examples that the experimentally observed increase in the yield stress of very thin metallic membranes most likely is due to the variation of grain orientations through the thickness of the membrane, as well as the surface hardness due to oxidation or contamination, both of which generally are insignificant when there is a sufficient number of interior crystals through the membrane thickness; the overall effect may well be produced by a combination of these two causes. We show that crystal plasticity models can account for such size effects without a need for resorting to phenomenological strain-gradient models. We illustrate this using Nemat-Nasser's dislocations-based slip-induced crystal plasticity model that inherently includes length scales, although other rate-dependent slip models, e.g., the classical power-law slip model, most likely would qualitatively produce similar results. Our numerical results, based on the experimentally supported dislocation-induced slip model and the values of the model parameters given in Nemat-Nasser and Li [1998. Flow stress of F.C.C. polycrystals with application to OFHC Cu. Acta Mater. 46, 565-577], correlate well, both qualitatively and quantitatively, with the experimental results reported by Hommel and Kraft [2001. Deformation behavior of thin copper films on deformable substrates. Acta Mater. 49, 3935-3947] and Espinosa et al. [2004. Plasticity size effect in free-standing submicron polycrystalline FCC films subjected to pure tension. J. Mech. Phys. Solids 52, 667-689] for thin copper membranes, suggesting that, for submicron-sized samples, the classical crystal plasticity with slip models, does qualitatively account well for the small-size effects, and that quantitative predictions are obtained when, in addition, a physics-based dislocation model that includes length scales, is used. It is thus concluded that the length-scale effect and the size effect are two separate issues in metal plasticity, both of which are nicely accounted for by physics-based dislocation models of crystal plasticity without a need to include the plastic strain gradient.     

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.     

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.     

Chemically and mechanically driven creep due to generation and annihilation of vacancies with non-ideal sources and sinks

The classical concept of Nabarro creep is extended for a general dislocation microstructure. The specific mechanism of the creep consists in generation and annihilation of vacancies at dislocation jogs acting as non-ideal sources and sinks for vacancies. This mechanism causes the climb of dislocations, allowing for local volume and shape change. The final kinetic equations, relating the dislocation microstructure and the local stress state to the creep rate, are derived by means of the thermodynamic extremal principle. Closed-form equations for the creep rate are derived for isotropic polycrystals. Based on the model the creep rate in the ferritic P-91 type steel at very low applied stress is evaluated and compared with experiment.     

Micromechanical modeling of the elasto-viscoplastic behavior of semi-crystalline polymers

A micromechanically based constitutive model for the elasto-viscoplastic deformation and texture evolution of semi-crystalline polymers is developed. The model idealizes the microstructure to consist of an aggregate of two-phase layered composite inclusions. A new framework for the composite inclusion model is formulated to facilitate the use of finite deformation elasto-viscoplastic constitutive models for each constituent phase. The crystalline lamellae are modeled as anisotropic elastic with plastic flow occurring via crystallographic slip. The amorphous phase is modeled as isotropic elastic with plastic flow being a rate-dependent process with strain hardening resulting from molecular orientation. The volume-averaged deformation and stress within the inclusions are related to the macroscopic fields by a hybrid interaction model. The uniaxial compression of initially isotropic high density polyethylene (HDPE) is taken as a case study. The ability of the model to capture the elasto-plastic stress-strain behavior of HDPE during monotonic and cyclic loading, the evolution of anisotropy, and the effect of crystallinity on initial modulus, yield stress, post-yield behavior and unloading-reloading cycles are presented.     

The plastic deformation of non-homogeneous polycrystals

To describe the work hardening process of polycrystals processed using various thermomechanical cycles with isochronal annealing from 500 to 900 °C, a dislocation based strain hardening model constructed in the basis of the so-called Kocks–Mecking model is proposed. The time and temperature dependence of flow stress is accounted via grain boundary migration, and the migration is related to annihilation of extrinsic grain boundary dislocations (EGBD’s) by climb via lattice diffusion of vacancies at the triple points. Recovery of yield stress is associated with changes in the total dislocation density term ρ^T. A sequence of deformation and annealing steps generally result in reduction of flow stress via the annihilation of the total dislocation density ρ^T defined as the sum of geometrically necessary dislocations ρ^G and statistically stored dislocations ρ^S. The predicted variation of yield stress with annealing temperature and cold working stages is in agreement with experimental observations. An attempt is made to determine the mathematical expressions which best describe the deformation behaviour of polycrystals in uniaxial deformation.     

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.     

Mechanics modeling for deformation of nano-grained metals

The electro-deposition technique is capable of producing nano-grained bulk copper specimens that exhibit superplastic extensibility at room temperature. Metals of such small grain sizes deform by grains squeezing past each other, with little distortion occurring in the grain cores. Accommodation mechanisms such as grain boundary diffusion and grain rotation control the kinetics of the process. A model of a 9-grain cluster is proposed that incorporates both the Ashby-Verrall mechanism and the 30° rotation of closely linked grain pairs. A constitutive relation is derived that relates the creep strain rate linearly to the difference between the applied stress and a threshold stress. The creep rate and the threshold stress predicted by the model are in quantitative agreement with the experimental data.     

Dynamic plasticity and fracture in high density polycrystals: constitutive modeling and numerical simulation

Presented is a constitutive framework for modeling the dynamic response of polycrystalline microstructures, posed in a thermodynamically consistent manner and accounting for finite deformation, strain rate dependence of flow stress, thermal softening, thermal expansion, heat conduction, and thermoelastic coupling. Assumptions of linear and square-root dependencies, respectively, of the stored energy and flow stresses upon the total dislocation density enable calculation of the time-dependent fraction of plastic work converted to heat energy. Fracture at grain boundary interfaces is represented explicitly by cohesive zone models. Dynamic finite element simulations demonstrate the influences of interfacial separation, random crystallographic orientation, and grain morphology on the high-rate tensile response of a realistic two-phase material system consisting of comparatively brittle pure tungsten (W) grains embedded in a more ductile matrix of tungsten-nickel iron (W-Ni-Fe) alloy. Aspects associated with constitutive modeling of damage and failure in the homogenized material system are discussed in light of the computational results.     

Spatiotemporally inhomogeneous plastic flow of a bulk-metallic glass

With geometrically-constrained specimens, the spatiotemporally inhomogeneous deformation of a Zr-based bulk-metallic glass in uniaxial, quasistatic, compression was investigated. Decreasing the height/width ratio of specimens from 2 to 0.5 significantly increases the plastic strain from 2% to about 80%. Using an infrared camera, we first observe in situ dynamic shear-banding operations during compression at various strain rates. The shear banding is highly dependent on strain rates, either intermittent at the lower strain rate or successive at the higher strain rate. Scanning electron microscopy observations show the spatiality of the rate-dependent shear banding. The serrated plastic flow is a result of the shear-banding operations. At the lower strain rate, more simultaneous shear-banding operations result in more obvious serrations, while at the higher strain rate, fewer simultaneous shear-banding operations cause less obvious serrations.