A binary-tree based model for rate-independent polycrystals

A model of a rigid-plastic rate-independent polycrystalline aggregate wherein sub-aggregates are represented as the nodes of a binary tree is proposed. The lowest nodes of the binary tree represent grains. Higher binary tree nodes represent increasingly larger sub-aggregates of grains, culminating with the root of the tree, which represents the entire polycrystalline aggregate. Planar interfaces are assumed to separate the sub-aggregates represented by nodes in the binary tree. Equivalence between the governing equations of the model and a standard linear program is established. The objective function of the linear program is given by the plastic power associated with polycrystal deformation and the linear constraints are given by compatibility requirements between the sub-aggregates represented by sibling nodes in the binary tree. The deviatoric part of the Cauchy stress in each sub-aggregate is deduced as linear combinations of the Lagrange multipliers associated with the constraints. It is shown that the present model allows a generalization of Taylor’s principle to polycrystals. The proposed model is applied to simulate tensile, compressive, torsional, and plane-strain deformation of copper polycrystals. The predicted macroscopic response is in good agreement with published experimental data. The effect of the initial distribution of the planar interfaces separating the sub-aggregates represented by the binary tree on the predicted mechanical response in tension, compression and torsion is studied. Also, the role of constraints relaxation in simulations of plane strain compression is investigated in detail.     

NUMERICAL SIMULATION OF NON-PLANAR PLASTIC ANISOTROPY OF COLD ROLLING POLYCRYSTALLINE MATERIALS

The plastic anisotropy of sheet metal is usually caused by preferred orientation of grains, developed by mechanical deformation and thermal treatment. In the present study, a Taylor-like polycrystal model suggested by Asaro and Needleman is applied to investigate the evolution of the anisotropic behavior of a face centered cubic (FCC) polycrystalline metal, which is considered having {111} (110) slip systems, by stretching it along an arbitrary direction after it has undergonea plane-strata compression that rationally simulates the cold rolling process of FCC polycrystalline pure aluminium. By using the Taylor-like polycrystal model, pole figures are obtained to describe the texture development of polycrystalline aggregate after plane-strain compression, and then the plastic anisotropy of polycrystalline aggregate is evaluated by stretching the polycrystalline aggregate in different direction in term of yield stress. According to the results, the contours of longitudinal flow stress in three-dimensional orientation space are given and analyzed. Experiment results similar to the prediction of planar anisotropy can be found inthe literature written by Takahashi et al. that in directly show the correctness of the prediction of non-planar plastic anisotropy by this analysis.     

Multiscale modeling of irradiated polycrystalline FCC metals

We propose a set of models for the post-irradiation deformation response of polycrystalline FCC metals. First, a defect- and dislocation-density based evolution model is developed to capture the features of irradiation-induced hardening as well as intra-granular softening. The proposed hardening model is incorporated within a rate-independent single crystal plasticity model. The result is a non-homogeneous deformation model that accounts for defect absorption on the active slip planes during plastic loading. The macroscopic non-linear constitutive response of the polycrystalline aggregate of the single crystal grains is then obtained using a micro–macro transition scheme, which is realized within a Jacobian-free multiscale method (JFMM). The Jacobian-free approach circumvents explicit computation of the tangent matrix at the macroscale by using a Newton–Krylov process. This has a major advantage in terms of storage requirements and computational cost over existing approaches based on homogenized material coefficients in which explicit Jacobian computation is required at every Newton step. The mechanical response of neutron-irradiated single and polycrystalline OFHC copper is studied and it is shown to capture experimentally observed grain-level phenomena.     

An experimental study on grain deformation and interactions in an Al-0.5%Mg multicrystal

Heterogeneous plastic deformation behavior of a coarse-grained Al-0.5%Mg multicrystal was investigated experimentally at the individual grain level. A flat uniaxial tensile specimen consisting of a single layer of millimeter-sized grains was deformed quasi-statically up to an axial strain of 15% at room temperature. The initial local crystallographic orientations of the grains and their evolutions after 5, 12, and 15% plastic strains were measured by electron backscattered diffraction pattern analysis in a scanning electron microscope. The local in-plane plastic strains and rigid body rotations of the grains were measured by correlation of digital optical video images of the specimen surface acquired during the tensile test. It is found that both intergranular and intragranular plastic deformation fields in the aluminum multicrystal specimen under uniaxial tension are highly heterogeneous. Single or double sets of slip-plane traces were predominantly observed on the electro-polished surfaces of the millimeter-sized grains after deformation. The active slip systems associated with these observed slip-plane traces were identified based on the grain orientation after deformation, the Schmid factor, and grain interactions in terms of the slip-plane trace morphology at grain boundaries. It is found that the aluminum multicrystal obeys neither the Sachs nor the Taylor polycrystal deformation models but deforms heterogeneously to favor easy slip transmission and accommodation among the grains.     

Numerical investigation of grain boundary effects on elevated-temperature deformation and fracture

A three-dimensional (3D) polycrystal intergranular model that accounts for grain boundary deformation and intergranular weakening at elevated temperatures is presented. The effects of grain boundaries on the accumulated slip deformation of grain interiors and lattice rotation have been investigated through a comparison between results from a model including grain boundary region (GBM) and a model representing only the grain interiors not the grain boundary region directly (NGBM). It is found that the presence of grain boundaries seems to suppress the grain interior slip deformation, and this suppressive role is reduced with increased relative thickness of the grain boundaries. In addition, grain boundaries promote the lattice rotation of individual grains in shear bands but suppress that of individual grains within non-shear bands. Mutual rotation of grains in both shear and non-shear bands is caused by the introduction of grain boundary regions. Rate-dependence of high-temperature plasticity could be more accurately captured by the GBM than by the NGBM. By considering creep damage of grain boundary, when the damage variable reaches a critical value, the corresponding grain boundary element is eliminated to describe dynamic intergranular fracture processes. The volume-averaged stress–strain curve by a model considering grain boundary damage (DGBM) showed better agreement with experimental results than that by a model not considering grain boundary damage (GBM).     

Strain localization analysis for planar polycrystals based on bifurcation theory

In the present paper, an efficient numerical tool is developed to investigate the ductility limit of polycrystalline aggregates under in-plane biaxial loading. These aggregates are assumed to be representative of very thin sheet metals (with typically few grains through the thickness). Therefore, the plane-stress assumption is naturally adopted to numerically predict the occurrence of strain localization. Furthermore, the initial crystallographic texture is assumed to be planar. Considering the latter assumptions, a two-dimensional single-crystal model is advantageously chosen to describe the mechanical behavior at the microscopic scale. The mechanical behavior of the planar polycrystalline aggregate is derived from that of single crystals by using the full-constraint Taylor scale-transition scheme. To predict the occurrence of localized necking, the developed multiscale model is coupled with bifurcation theory. As will be demonstrated through various numerical results, in the case of biaxial loading under plane-stress conditions, the planar single-crystal model provides the same predictions as those given by the more commonly used three-dimensional single-crystal model. Moreover, the use of the two-dimensional model instead of the three-dimensional one allows dividing the number of active slip systems by two and, hence, significantly reducing the CPU time required for the integration of the constitutive equations at the single-crystal scale. Furthermore, the planar polycrystal model seems to be more suitable to study the ductility of very thin sheet metals, as its use allows us to rigorously ensure the plane-stress state, which is not always the case when the fully three-dimensional polycrystalline model is employed. Consequently, the adoption of this planar formulation, instead of the three-dimensional one, allows us to simplify the computational aspects and, accordingly, to considerably reduce the CPU time required for the numerical predictions.     

Deformation texture prediction: from the Taylor model to the advanced Lamel model

The paper reports on a recent effort to develop a statistical (or Monte-Carlo) model for quantitative deformation texture prediction which is yet fast enough for implementation in every Gauss point of an FE simulation of a metal-forming process. The principles of Taylor-type models for the prediction of deformation textures of polycrystalline materials are reminded. This includes the full-constraints Taylor theory (every grain of a polycrystal undergoes the same plastic deformation), classical Relaxed Constraints Taylor theory (one or two of the components of the local velocity gradient tensor need not be the same for all grains) and multi-grain models (LAMEL model; mentioning of GIA model). The primal–dual structure of the equations relating strain rates with slip rates, and those relating stresses and resolved shear stresses on slip systems, is made clear. It is then possible to describe the basic philosophy and the mathematical implementation of a new model, called “advanced Lamel model” (ALAMEL). This model is more generally applicable than the previously developed LAMEL model, which is only valid for rolling. Both take interactions between neighbouring grains into account. Finally, quantitative comparisons are given between experimentally observed rolling textures and the predictions of the new model, as well as of other models: full-constraints and relaxed constraints Taylor, LAMEL, GIA, visco-plastic self-consistent and crystal plasticity finite element (CPFEM) models. This was done for IF steel (one thickness reduction) and for two aluminium alloys: AA1200 (five thickness reductions) and AA5182 (one thickness reduction). It was found that for AA1200, the new model is on average the best; for the two other cases, it is among the best models, but the LAMEL or CPFEM models are better. These results suggest that in spite of all simplifications, the ALAMEL model captures (and identifies) the domination mechanisms controlling the development of deformation textures in cubic metals.     

Thermomechanical behavior of shape memory alloy under complex loading conditions

The thermo-mechanical behavior of polycrystalline shape memory alloy (SMA) under multi-axial loading with varying temperature conditions has been studied by experiments. Recently the research has been extended theoretically and a mechanical model of polycrystalline SMA and the corresponding mesoscopic constitutive equations have been developed. The model presented in this paper is constructed on the basis of the crystal plasticity and the deformation mechanism of SMA. The variants in the crystal grains and the orientations of crystal grains in the polycrystal are considered in the proposed model; the constitutive equations are derived on the basis of the proposed model. The volume fraction of the martensite variants in the transformation process and the influence of the stress state on the transformation process are also considered. Some calculated results obtained by the constitutive equations are presented and compared with the experimental results. It is found that the deformation behavior of SMA under complex loading conditions can be well reproduced by the calculation of the constitutive equations.     

Investigating the limits of polycrystal plasticity modeling

A material model which describes the rate-dependent crystallographic slip of FCC metals has been implemented into a quasistatic, large deformation, nonlinear finite element code developed at Sandia National Laboratories. The resultant microstructure based elastic–plastic deformation model has successfully performed simulations of realistic looking 3-D polycrystalline microstructures generated using a Potts-model approach. These simulations have been as large as 50,000 elements composed of 200 randomly oriented grains. This type of model tracks grain orientation and predicts the evolution of sub-grains on an element by element basis during deformation of a polycrystal. Simulations using this model generate a large body of informative results, but they have shortcomings. This paper attempts to examine detailed results provided by large scale highly resolved polycrystal plasticity modeling through a series of analyses. The analyses are designed to isolate issues such as rate of texture evolution, the effect of mesh refinement and comparison with experimental data. Specific model limitations can be identified with lack of a characteristic length scale and oversimplified grain boundaries within the modeling framework.     

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.     

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.     

Micro–macro approach for the rock salt behaviour

Rock salt is considered as a pure aggregate of halite (mineral NaCl) crystals and its behaviour is investigated by a micro–macro approach. The behaviour of the polycrystalline aggregate is deduced from the properties of the constituent halite crystals. A model for the elastoplastic behaviour of halite crystal has been deduced from experimental data available in the literature. The basic equations of the micro–macro model for the polycrystalline medium and the calculation method are then presented and the elastoplastic behaviour of rock salt is investigated by this method. The hardening effects obtained for the polycrystal are found to be very different from those obtained for FCC metal polycrystals. The differences are explained as a consequence of differences of families of glide systems in these crystals. Finally, the internal stresses in the polycrystal are studied in order to elucidate the origin of cracking and damage of the rock salt.     

Intergranular and intragranular behavior of polycrystalline aggregates.Part 2: Results

The global, intergranular and intragranular responses of a polycrystalline aggregate are investigated. It is shown that the heterogeneity of stress and strain dramatically increases from the global to the local level. Plastic deformation structures develop on a scale larger than the grain. Several types of boundary conditions are applied to polycrystalline aggregates, in order to estimate the importance of the surface effect. The results obtained are presented as contour plots on the cube, and a detailed study is performed to relate the variation obtained with the orientation of the grain and the position in the aggregate.     

Inelastic behaviour of polycrystalline metals under complex loading condition

In this paper, a simple mechanical model of polycrystal is suggested on the basis of the crystal plasticity. This model incorporates interactions among grains in polycrystal and interactions among slip systems in a crystal grain component. Especially, an equation for a slip strain of slip system is based on a theory of thermo-activation motion of dislocation. In this way, the model can take into account rate (creep) properties and temperature effects as well as an induced plastic anisotropy depending on deformation path, under multi-axial condition.Some computations are done by using the model for typical sets of strain paths and compared with corresponding experimental results of aluminum alloy at 200°C. The computational results reproduce accurately typical features observed in the experiments.     

Development of inter- and intragranular stresses during switching of ferroelectric polycrystals

Ferroelectrics are crystalline inorganic materials consisting of domains with different directions of spontaneous polarization. By application of sufficiently high electric fields, these domains can switch into a common direction, thus making the material piezoelectric. Due to ferroelasticity, the domains can be also switched into different states by the application of mechanical stress. In polycrystalline materials, as used in most applications, electric and stress fields interact so as to maintain compatibility. We study the influence of grain-to-grain interactions on the overall and local switching behavior and in particular the induced stresses inside grains and across grain boundaries. The behavior inside each grain is represented by the single-crystal model of [Huber, J.E., Fleck, N.A., Landis, C.M., McMeeking, R.M., 1999. A constitutive model for ferroelectric polycrystals. Journal of the Mechanics and Physics of Solids 47 (8), 1663–1697] and the polycrystal response is obtained through a two-dimensional multi-grain model in which grains are represented individually. We investigate the effect of random grain orientations, both in the plane of consideration and in three directions, and compare plane strain with plane stress conditions. It is found that the overall piezoelectric response under electric loading is not dependent only on the intra- and intergranular stresses in the plane but is also significantly affected by stresses in through-thickness direction.     

Anisotropic yield criterion for polycrystalline metals using texture and crystal symmetries

An anisotropic yield criterion for polycrystalline metals which uses texture data and takes advantage of crystal symmetries is presented. A linear transformation is developed to map an anisotropic yield surface for a polycrystal to an appropriate isotropic yield surface. The transformation developed reflects the symmetry of the material being modeled. First, the transformation is determined. Then, information regarding the orientation distribution (texture) of the crystals in a polycrystalline aggregate is used to determine, via averaging, the transformation for the polycrystal. The transformation, along with appropriate isotropic yield surface, provides a phenomenological approach to modeling yield, yet accounts for microstructural texture. The approach reduces to the Hill (1950) anisotropic plasticity theory under certain conditions. The yield surfaces and R-values for various face-centered-cubic ( fcc) polycrystalline textures are computed by this method. Results compare favorably with those given by other theories, and with experiment. The method proves to have the computational efficiency of phenomenological approaches to modeling yield, while effectively incorporating the physics of more complex crystallographic approaches.