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.     

Homogenization of inelastic solid materials at finite strains based on incremental minimization principles. Application to the texture analysis of polycrystals

The paper presents new continuous and discrete variational formulations for the homogenization analysis of inelastic solid materials undergoing finite strains. The point of departure is a general internal variable formulation that determines the inelastic response of the constituents of a typical micro-structure as a generalized standard medium in terms of an energy storage and a dissipation function. Consistent with this type of finite inelasticity we develop a new incremental variational formulation of the local constitutive response, where a quasi-hyperelastic micro-stress potential is obtained from a local minimization problem with respect to the internal variables. It is shown that this local minimization problem determines the internal state of the material for finite increments of time. We specify the local variational formulation for a distinct setting of multi-surface inelasticity and develop a numerical solution technique based on a time discretization of the internal variables. The existence of the quasi-hyperelastic stress potential allows the extension of homogenization approaches of finite elasticity to the incremental setting of finite inelasticity. Focussing on macro-deformation-driven micro-structures, we develop a new incremental variational formulation of the global homogenization problem for generalized standard materials at finite strains, where a quasi-hyperelastic macro-stress potential is obtained from a global minimization problem with respect to the fine-scale displacement fluctuation field. It is shown that this global minimization problem determines the state of the micro-structure for finite increments of time. We consider three different settings of the global variational problem for prescribed displacements, non-trivial periodic displacements and prescribed stresses on the boundary of the micro-structure and develop numerical solution methods based on a spatial discretization of the fine-scale displacement fluctuation field. Representative applications of the proposed minimization principles are demonstrated for a constitutive model of crystal plasticity and the homogenization problem of texture analysis in polycrystalline aggregates.     

Anisotropic response of high-purity α-titanium: Experimental characterization and constitutive modeling

This paper presents a comprehensive experimental and theoretical investigation of the deformation behavior of high-purity, polycrystalline α-titanium under quasi-static conditions at room temperature. The initial material in this study was a cross-rolled plate with a strong basal texture. To quantify the plastic anisotropy and the tension–compression asymmetry of this material, monotonic tensile and compressive tests were conducted, on samples cut along different directions of the plate. A new anisotropic elastic/plastic model was developed to describe the quasi-static macroscopic response of the aggregate. Key in its formulation is the use of an anisotropic yield criterion that captures strength-differential effects and an anisotropic hardening rule that accounts for texture evolution associated to twinning. A very good agreement between FE simulations using the model developed and uniaxial data was obtained.     

A dislocation density based crystal plasticity finite element model: Application to a two-phase polycrystalline HCP/BCC composites

We present a multiscale model for anisotropic, elasto-plastic, rate- and temperature-sensitive deformation of polycrystalline aggregates to large plastic strains. The model accounts for a dislocation-based hardening law for multiple slip modes and links a single-crystal to a polycrystalline response using a crystal plasticity finite element based homogenization. It is capable of predicting local stress and strain fields based on evolving microstructure including the explicit evolution of dislocation density and crystallographic grain reorientation. We apply the model to simulate monotonic mechanical response of a hexagonal close-packed metal, zirconium (Zr), and a body-centered cubic metal, niobium (Nb), and study the texture evolution and deformation mechanisms in a two-phase Zr/Nb layered composite under severe plastic deformation. The model predicts well the texture in both co-deforming phases to very large plastic strains. In addition, it offers insights into the active slip systems underlying texture evolution, indicating that the observed textures develop by a combination of prismatic, pyramidal, and anomalous basal slip in Zr and primarily {110}〈111〉 slip and secondly {112}〈111〉 slip in Nb.     

Design of microstructure-sensitive properties in elasto-viscoplastic polycrystals using multi-scale homogenization

Evolution of properties during processing of materials depends on the underlying material microstructure. A finite element homogenization approach is presented for calculating the evolution of macro-scale properties during processing of microstructures. A mathematically rigorous sensitivity analysis of homogenization is presented that is used to identify optimal forging rates in processes that would lead to a desired microstructure response. Macro-scale parameters such as forging rates are linked with microstructure deformation using boundary conditions drawn from the theory of multi-scale homogenization. Homogenized stresses at the macro-scale are obtained through volume-averaging laws. A constitutive framework for thermo-elastic–viscoplastic response of single crystals is utilized along with a fully-implicit Lagrangian finite element algorithm for modelling microstructure evolution. The continuum sensitivity method (CSM) used for designing processes involves differentiation of the governing field equations of homogenization with respect to the processing parameters and development of the weak forms for the corresponding sensitivity equations that are solved using finite element analysis. The sensitivity of the deformation field within the microstructure is exactly defined and an averaging principle is developed to compute the sensitivity of homogenized stresses at the macro-scale due to perturbations in the process parameters. Computed sensitivities are used within a gradient-based optimization framework for controlling the response of the microstructure. Development of texture and stress–strain response in 2D and 3D FCC aluminum polycrystalline aggregates using the homogenization algorithm is compared with both Taylor-based simulations and published experimental results. Processing parameters that would lead to a desired equivalent stress–strain curve in a sample poly-crystalline microstructure are identified for single and two-stage loading using the design algorithm.     

织构可调塑性本构模型标定及其应用

提出了利用率相关晶体塑性模型标定织相可调本构模型的求解步骤,得出了一组依赖于晶粒间相互作用假设而独立于具体板材织构的本构相关系数.以此为基础再结合板材织构系数所得出的本构模型系数可避免出现屈服面非外凸的情形.利用所提求解步骤对在不同热处理条件下产生不同织构的AL5052铝合金板的深拉成形过程进行了有限元模拟.结果再现了典型织构在板材成形过程中所出现的塑性各向异性,从而表明求解步骤的可行性.     

A multi-length scale sensitivity analysis for the control of texture-dependent properties in deformation processing

Material property evolution during processing is governed by the evolution of the underlying microstructure. We present an efficient technique for tailoring texture development and thus, optimizing properties in forming processes involving polycrystalline materials. The deformation process simulator allows simulation of texture formation using a continuum representation of the orientation distribution function. An efficient multi-scale sensitivity analysis technique is then introduced that allows computation of the sensitivity of microstructure field variables such as slip resistances and texture with respect to perturbations in macro-scale forming parameters such as forging rates, die shapes and preform shapes. These sensitivities are used within a gradient-based optimization framework for computational design of material property distribution during metal forming processes. Effectiveness of the developed computational scheme is demonstrated through computationally intensive examples that address control of properties such as Young’s modulus, strength and magnetic hysteresis loss in finished products.     

Multi-scale finite element analyses of sheet metals by using SEM-EBSD measured crystallographic RVE models

In this study, two multi-scale analyses codes are newly developed by combining a homogenization algorithm and an elastic/crystalline viscoplastic finite element (FE) method (Nakamachi, E., 1988. A finite element simulation of the sheet metal forming process. Int. J. Numer. Meth. Eng. 25, 283–292; Nakamachi, E., Dong, X., 1996. Elastic/crystalline viscoplastic finite element analysis of dynamic deformation of sheet metal. Int. J. Computer-Aided Eng. Software 13, 308–326; Nakamachi, E., Dong, X., 1997. Study of texture effect on sheet failure in a limit dome height test by using elastic/crystalline viscoplastic finite element analysis. J. Appl. Mech. Trans. ASME(E) 64, 519–524; Nakamachi, E., 1998. Elastic/crystalline viscoplastic finite element modeling based on hardening–softening evaluation equation. In: Proc. of the 6th NUMIFORM, pp. 315–321; Nakamachi, E., Hiraiwa, K., Morimoto, H., Harimoto, M., 2000a. Elastic/crystalline viscoplastic finite element analyses of single- and poly-crystal sheet deformations and their experimental verification. Int. J. Plasticity 16, 1419–1441; Nakamachi, E., Xie, C.L., Harimoto, M., 2000b. Drawability assessment of BCC steel sheet by using elastic/crystalline viscoplastic finite element analyses. Int. J. Mech. Sci. 43, 631–652); (1) a “semi-implicit” finite element (FE) code and (2) a “dynamic explicit” FE code. These were applied to predict the plastic strain induced yield loci and the formability of sheet metal in the macro scale, and simultaneously the crystal texture and hardening evolutions in the micro scale. The isotropic and kinematical hardening laws are employed in the crystalline plasticity constitutive equation. For the multi-scale structure, two-scales are considered. One is a microscopic polycrystal structure and the other a macroscopic elastic plastic continuum. We measure crystal morphologies by using the SEM-EBSD apparatus with a unit of about 3.8 μm voxel, and define a three dimensional (3D) representative volume element (RVE) for the micro polycrystal structure, which satisfy the periodicity condition of crystal orientation distribution. A “micro” finite element modeling technique is newly established to minimize the total number of finite elements in the micro scale. Next, the “semi-implicit” crystallographic homogenization FE code, which employs the SEM-EBSD measured RVE, is applied to the 99.9% pure-iron uni-axial tensile problem to predict the texture evolution and the subsequent yield loci in the various strain paths. These “semi implicit” results reveal that the plastic strain induced anisotropy in the micro and macro levels can be predicted by our FE analyses. The kinematical hardening law leads a distinct plastic strain induced anisotropy. Our “dynamic-explicit” FE code is applied to simulate the limit dome height (LDH) test problem of the mild steel DQSK, the high strength steel HSLA and the aluminum alloy AL6022 sheet metals, which were adopted as the NUMISHEET2005 Benchmark sheet metals (Smith, L.M., Pourboghrat, F., Yoon, J.-W., Stoughton, T.B., 2005. NUMISHEET2005. In: Proc. of 6th Int. Conf. Numerical Simulation of 3D Sheet Metal Forming Processes, PART A and B(Benchmark), pp. 409–451) to estimate formability. The “dynamic explicit” results reveal that the initial crystal orientation distribution has a large affects to a plastic strain induced texture and anisotropic hardening evolutions and sheet formability.     

A new crystal plasticity scheme for explicit time integration codes to simulate deformation in 3D microstructures: Effects of strain path,strain rate and thermal softening on localized deformation in the aluminum alloy 5754 during simple shear

The predominant deformation mode during material failure is shear. In this paper, a crystal plasticity scheme for explicit time integration codes is developed based on a forward Euler algorithm. The numerical model is incorporated in the UMAT subroutine for implementing rate-dependent crystal plasticity model in LS-DYNA/Explicit. The sheet is modeled as a face centered cubic (FCC) polycrystalline aggregate, and a finite element analysis based on rate-dependent crystal plasticity is implemented to analyze the effects of three different strain paths consisting predominantly of shear. Finite element meshes containing texture data are created with solid elements. The material model can incorporate information obtained from electron backscatter diffraction (EBSD) and apply crystal orientation to each element as well as account for texture evolution. Single elements or multiple elements are used to represent each grain within a microstructure. The three dimensional (3D) polycrystalline microstructure of the aluminum alloy AA5754 is modeled and subjected to three different strain rates for each strain path. The effects of strain paths, strain rates and thermal softening on the formation of localized deformation are investigated. Simulations show that strain path is the most dominant factor in localized deformation and texture evolution.     

Characterization of macroscopic tensile strength of polycrystalline metals with two-scale finite element analysis

The objective of this contribution is to develop an elastic-plastic-damage constitutive model for crystal grain and to incorporate it with two-scale finite element analyses based on mathematical homogenization method, in order to characterize the macroscopic tensile strength of polycrystalline metals. More specifically, the constitutive model for single crystal is obtained by combining hyperelasticity, a rate-independent single crystal plasticity and a continuum damage model. The evolution equations, stress update algorithm and consistent tangent are derived within the framework of standard elastoplasticity at finite strain. By employing two-scale finite element analysis, the ductile behaviour of polycrystalline metals and corresponding tensile strength are evaluated. The importance of finite element formulation is examined by comparing performance of several finite elements and their convergence behaviour is assessed with mesh refinement. Finally, the grain size effect on yield and tensile strength is analysed in order to illustrate the versatility of the proposed two-scale model.     

Finite element analysis of localization in FCC polycrystalline sheets under plane stress tension

Localization phenomena in thin sheets subjected to plane stress tension are investigated. The sheet is modelled as a polycrystalline aggregate, and a finite element analysis based on rate-dependent crystal plasticity is developed to simulate large strain behaviour. Accordingly, each material point in the specimen is considered to be a polycrystalline aggregate consisting of a large number of FCC grains. The Taylor model of crystal plasticity theory is assumed. This analysis accounts for initial textures as well as texture evolution during large plastic deformations. The numerical analysis incorporates certain parallel computing features. Simulations have been carried out for an aluminum sheet alloy, and the effects of various parameters on the formation and prediction of localized deformation (in the form of necking and/or in-plane shear bands) are examined.     

Fast texture updates in fcc polycrystal plasticity based on a linear active-set-estimate of the lattice spin

The paper presents a framework for a fast computational estimate of the texture evolution in fcc polycrystals. The underlying basis is a Taylor-type approach of rigid-plasticity for fcc crystals, where the decision of slip activity is based on a purely geometric argument in terms of the rate of total deformation. This approach allows a purely kinematic estimate of the texture evolution completely independent of the hardening response of the single crystal grains. We show that such a geometric estimate of the orientation microstructure provides very good approximations when compared with Taylor-type models of rigid viscoplasticity or elasto-plasticity of fcc crystals. It is shown for several deformation modes of polycrystalline aggregates that the geometric approach predicts the texture evolution very well in the range of large strains. In contrast to standard approaches for the analysis of texture, the proposed new method is extremely robust and very fast even for a high number of discrete grain orientations. As a consequence, such an approach provides a perfect base for large scale computations of anisotropy development in polycrystals.     

The role of texture in tension–compression asymmetry in polycrystalline NiTi

The purpose of the present study is to thoroughly understand the stress–strain behavior of polycrystalline NiTi deformed under tension versus compression. To do this, a micro-mechanical model is used which incorporates single crystal constitutive relationships and experimentally measured polycrystalline texture into the self-consistent formulation. For the first time it is quantitatively demonstrated that texture measurements coupled with a micro-mechanical model can accurately predict tension/compression asymmetry in NiTi shape memory alloys. The predicted critical transformation stress levels and transformation stress–strain slopes under both tensile and compressive loading are consistent with experimental results. For textured polycrystalline NiTi deformed under tension it is demonstrated that the martensite evolution is very abrupt, consistent with the Luders type deformation experimentally observed. The abrupt transformation under tension is attributed to the fact that the majority of the grains are oriented along the [111] crystallographic direction, which is soft under tensile loading. Since single crystals of the [111] orientation are hard under compression it is also demonstrated that under compression the martensite in textured polycrystalline NiTi evolves relatively slower.     

On the strain hardening and texture evolution in high manganese steels: Experiments and numerical investigation

We present a systematic investigation on the strain hardening and texture evolution in high manganese steels where twinning induced plasticity (TWIP) plays a significant role for the materials' plastic deformation. Motivated by the stress–strain behavior of typical TWIP steels with compositions of Fe, Mn, and C, we develop a mechanistic model to explain the strain-hardening in crystals where deformation twinning dominates the plastic deformation. The classical single crystal plasticity model accounting for both dislocation slip and deformation twinning are then employed to simulate the plastic deformation in polycrystalline TWIP steels. While only deformation twinning is activated for plasticity, the simulations with samples composed of voronoi grains cannot fully capture the texture evolution of the TWIP steel. By including both twinning deformation and dislocation slip, the model is able to capture both the stress–strain behaviors and the texture evolution in Fe–Mn–C TWIP steel in different boundary-value problems. Further analysis on the strain contributions by both mechanisms suggests that deformation twinning plays the dominant role at the initial stage of plasticity in TWIP steels, and dislocation slip becomes increasingly important at large strains.     

Integration of self-consistent polycrystal plasticity with dislocation density based hardening laws within an implicit finite element framework: Application to low-symmetry metals

We present an implementation of the viscoplastic self-consistent (VPSC) polycrystalline model in an implicit finite element (FE) framework, which accounts for a dislocation-based hardening law for multiple slip and twinning modes at the micro-scale grain level. The model is applied to simulate the macro-scale mechanical response of a highly anisotropic low-symmetry (orthorhombic) crystal structure. In this approach, a finite element integration point represents a polycrystalline material point and the meso-scale mechanical response is obtained by the mean-field VPSC homogenization scheme. We demonstrate the accuracy of the FE-VPSC model by analyzing the mechanical response and microstructure evolution of α-uranium samples under simple compression/tension and four-point bending tests. Predictions of the FE-VPSC simulations compare favorably with experimental measurements of geometrical changes and microstructure evolution. Specifically, the model captures accurately the tension–compression asymmetry of the material associated with twinning, as well as the rigidity of the material response along the hard-to-deform crystallographic orientations.     

Rate-independent crystalline and polycrystalline plasticity,application to FCC materials

This paper deals with the simulation of the mechanical response and texture evolution of cubic crystals and polycrystals for a rate-independent elastic–plastic constitutive law. No viscous effects are considered. An algorithm is introduced to treat the difficult case of multi-surface plasticity. This algorithm allows the computation of the mechanical response of a single crystal. The corresponding yield surface is made of the intersection of several hyper-planes in the stress space. The problem of the multiplicity of the slip systems is solved thanks to a pseudo-inversion method. Self and latent hardening are taken into account. In order to compute the response of a polycrystal, a Taylor homogenization scheme is used. The stress–strain response of single crystals and polycrystals is computed for various loading cases. The texture evolution predicted for compression, plane strain compression and simple shear are compared with the results given by a visco-plastic polycrystalline model.     

A theoretical investigation of the influence of dislocation sheets on evolution of yield surfaces in single-phase B.C.C. polycrystals

Accurate and reliable predictions of yield surfaces and their evolution with deformation require a better physical representation of the important sources of anisotropy in the material. Until recently, the most physical approach employed in the current literature has been the use of polycrystalline deformation models, where it is assumed that crystallographic texture is the main contributor to the overall anisotropy. However, recent studies have revealed that the grain-scale mesostructural features (e.g. cell-block boundaries) may have a large impact on the anisotropic stress-strain behaviour, as evidenced during strain-path change tests (e.g. cross effect, Bauschinger effect).In previous papers, the authors formulated an extension of the Taylor-type crystal plasticity model by incorporating some details of the grain-scale mesostructural features. The main purpose of this paper is to study the evolution of yield surfaces in single-phase b.c.c. polycrystals during deformation and strain-path changes using this extended crystal plasticity model. It is demonstrated that the contribution of the grain-scale substructure in these metals on yield loci is comparable in magnitude to the effects caused by the differences in texture. Furthermore, it is shown that the shape of yield loci cannot be predicted accurately by the traditional polycrystalline deformation model with equal slip hardening. The trends predicted by the extended crystal plasticity model are in much better agreement with the experimental evidence reported in the literature than those represented in classical treatments by isotropic and kinematic hardening.     

Multiscale analysis of the transverse properties of Ti-based matrix composites reinforced by SiC fibres: from the grain scale to the macroscopic scale

It is well known that the presence of continuous fibres in SiC/Ti composites leads to a high mechanical anisotropy of the composite between the longitudinal and the two transverse directions. But it is also possible that the crystallographic texture of the matrix may lead to a non-negligible anisotropy of the mechanical properties of the composite. The crystallographic orientation of the matrix grains was determined using the Electron BackScattering Diffraction technique. A local texture of the matrix of the composite is thus evidenced. Finite Element calculations are used to determine the stress field in the matrix resulting from an applied transverse loading. The representative mechanical quantities thus determined are discussed in relation with the fundamental mechanisms of plastic deformation of the matrix. Finally, the crystallographic texture of the matrix of the composite is taken into account in the numerical modellings using a three-scale model that combines crystal plasticity, a polycrystalline aggregate model and a periodic homogenization through a Finite Element unit cell for the composite analysis.     

有限变形下多晶晶体塑性模型算法及应用

用Sanna和Zacharia^[1]所提出的延性单晶本构模型的积分算法和Taylor多晶模型假设研究了时间步长和硬化模型的选取对多晶集合体的应力应变响应和织构演化的影响。该算法是利用变形梯度乘法分解获得弹性变形梯度演化方程，用增量迭代法积分该方程，显式更新各滑移上的临界分切剪应力。算例的结果表明该算法具有时间步大，计算效率高的特点，另外，不同硬化模型的选取对多晶集合体应力应变响应的预测有明显的影响但对织构演化的预测影响不大。