Texture predictions using a polycrystal plasticity model incorporating neighbor interactions

A viscoplastic model is presented for distributing the deformation applied to a polycrystal in a non-uniform fashion among the constituent crystals. Interactions with surrounding crystals are incorporated in the calculation of the deformation rate of each crystal through an appropriately defined local neighborhood. A compliance tensor is computed for each crystal based on a viscoplastic constitutive relation for deformation by crystallographic slip. The compliance of the crystal relative to that of its neighborhood provides a means for partitioning the macroscopic deformation rate among the crystals. The deviation of the crystal deformation rate from the macroscopic value is suitably scaled to obtain the crystal spin. Polycrystal simulations of crystallographic texture development using this model are compared to the results of similar calculations using the Taylor model, to finite element simulations of a model polycrystal, and to experimental data. The model incorporating neighbor interactions is shown to result in improved texture predictions, in terms of both the intensity levels and the locations of certain texture components.     

Orientation effects in nanoindentation of single crystal copper

Numerical simulations and experimental results of nanoindentation on single crystal copper in three crystallographic orientations [(1 0 0), (0 1 1) and (1 1 1)] using a spherical indenter (3.4 μm radius) were reported. The simulations were conducted using a commercial finite element code (ABAQUS) with a user-defined subroutine (VUMAT) that incorporates large deformation crystal plasticity constitutive model. This model can take full account of the crystallographic slip as well as the orientation effects during nanoindentation. Distributions of the out-of-plane displacements and shear stresses as well as shear strains were obtained for indentation depths of up to 310 nm. The experimental studies were conducted using an MTS Nano Indenter (XP) system from which the load–displacement relationships were obtained while the surface topography as well as the surface profile along a line scan of indents were obtained using a Digital Instruments (Dimension 3100) atomic force microscope (AFM). The top views of the indent pile-up patterns under the spherical indenter show two-fold, three-fold, and four-fold symmetries for the (0 1 1), (1 1 1), and (1 0 0) orientations, respectively. Attempt was made to relate the anisotropic nature of the surface topographies around the indents in different crystallographic orientations of the single crystal copper specimens with the active slip systems and local texture variations. A reasonably good agreement had been obtained on several aspects of nanoindentation between the experimental and numerical results reported in this investigation as well as similar results reported in the literature. Thus, material properties of single crystal copper can be determined based on an appropriate numerical modeling of the nanoindentation on three crystallographic orientations.     

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.     

A hybrid finite element formulation for polycrystal plasticity with consideration of macrostructural and microstructural linking

A hybrid finite element formulation for the plastic deformation of FCC metals with anisotropy is outlined. Polycrystal plasticity theory is used to develop the constitutive response. The hybrid approach facilitates introduction of the microscale stress in the macroscopic statement of equilibrium. Convergence of the hybrid formulation is contrasted with that of a velocity-pressure formulation. It is demonstrated that the hybrid formulation is well suited for studies where significant spatial variations in constitutive response result from having only one, or a very few, crystal orientations represented in each finite element. A simulation of channel die compression is made with one crystal per finite element. The resulting texture evolution is compared with other texture evolution models and experimental data for cold rolled aluminum. It is demonstrated that the brass texture component, observed in the experimental data, is developed through shear deformations arising from grain-to-grain interactions.     

Assessment of crystal plasticity based calculation of the lattice spin of polycrystalline metals for FE implementation

When texture is incorporated in the finite element simulation of a metal forming process, much computer time can be saved by replacing continuous texture and corresponding yield locus updates by intermittent updates after strain intervals of e.g. 20%. The hypothesis that the evolution of the anisotropic properties of a polycrystalline material during such finite interval of plastic deformation can be modelled by just rotating the initial texture instead of continuously updating it by means of a polycrystal deformation model is tested in this work. Two spins for rotating the frame have been assessed: the classical rigid body spin and a crystal plasticity based “Mandel spin” (calculated from the rotated initial texture) which is the average of the spins of all the crystal lattices of the polycrystal. Each of these methods was used to study the evolution of the yield locus and the r-value distribution during the 20% strain interval. The results were compared to those obtained by simulating the texture evolution continuously using a polycrystal deformation model. When the texture was not updated during deformation, it was found that for most initial textures the Mandel spin does not perform better than the rigid body spin, except for some special initial textures for which the Mandel spin is much better. The latter ones are textures which are almost stable for the corresponding strain mode. When the texture was updated after each strain interval of e.g. 20% the Mandel spin performed much better than the rigid body spin.     

A novel yield function for single crystals based on combined constraints optimization

A novel yield function representing the overall plastic deformation in a single crystal is developed using the concept of optimization. Based on the principle of maximum dissipation during a plastic deformation, the problem of single crystal plasticity is first considered as a constrained optimization problem in which constraints are yield functions for slip systems. To overcome the singularity that usually arises in solving the above problem, a mathematical technique is used to replace the above constrained optimization problem with an equivalent problem which has only one constraint. This single constraint optimization problem, the so-called combined constraints crystal plasticity (CCCP) model, is implemented into a finite element code and the results of modeling the uniaxial tensions of the single crystal copper along different crystallographic directions and also hydroforming of aluminum tubes proved the capability of the proposed CCCP model in accurately predicting the deformation in polycrystalline materials.     

Forming simulation of aluminum sheets using an anisotropic yield function coupled with crystal plasticity theory

This paper describes the application of a coupled crystal plasticity based microstructural model with an anisotropic yield criterion to compute a 3D yield surface of a textured aluminum sheet (continuous cast AA5754 aluminum sheet). Both the in-plane and out-of-plane deformation characteristics of the sheet material have been generated from the measured initial texture and the uniaxial tensile curve along the rolling direction of the sheet by employing a rate-dependent crystal plasticity model. It is shown that the stress–strain curves and R-value distribution in all orientations of the sheet surface can be modeled accurately by crystal plasticity if a “finite element per grain” unit cell model is used that accounts for non-uniform deformation as well as grain interactions. In particular, the polycrystal calculation using the Bassani and Wu (1991) single crystal hardening law and experimental electron backscatter data as input has been shown to be accurate enough to substitute experimental data by crystal plasticity data for calibration of macroscopic yield functions. The macroscopic anisotropic yield criterion CPB06ex2 (Plunkett et al., 2008) has been calibrated using the results of the polycrystal calculations and the experimental data from mechanical tests. The coupled model is validated by comparing its predictions with the anisotropy in the experimental yield stress ratio and strain ratios at 15% tensile deformation. The biaxial section of the 3D yield surface calculated directly by crystal plasticity model and that predicted by the phenomenological model calibrated with experimental and crystal plasticity data are also compared. The good agreement shows the strength of the approach. Although in this paper, the Plunkett et al. (2008) yield function is used, the proposed methodology is general and can be applied to any yield function. The results presented here represent a robust demonstration of implementing microscale crystal plasticity simulation with measured texture data and hardening laws in macroscale yield criterion simulations in an accurate manner.     

A peridynamic implementation of crystal plasticity

This paper presents the first application of peridynamics theory for crystal plasticity simulations. A state-based theory of peridynamics is used (Silling et al., 2007) where the forces in the bonds between particles are computed from stress tensors obtained from crystal plasticity. The stress tensor at a particle, in turn, is computed from strains calculated by tracking the motion of surrounding particles. We have developed a quasi-static implementation of the peridynamics theory. The code employs an implicit iterative solution procedure similar to a non-linear finite element implementation. Peridynamics results are compared with crystal plasticity finite element (CPFE) analysis for the problem of plane strain compression of a planar polycrystal. The stress, strain field distribution and the texture formation predicted by CPFE and peridynamics were found to compare well. One particular feature of peridynamics is its ability to model fine shear bands that occur naturally in deforming polycrystalline aggregates. Peridynamics simulations are used to study the origin and evolution of these shear bands as a function of strain and slip geometry.     

Constitutive equations for martensitic reorientation and detwinning in shape-memory alloys

A crystal-inelasticity-based constitutive model for martensitic reorientation and detwinning in shape-memory alloys (SMAs) has been developed from basic thermodynamics principles. The model has been implemented in a finite-element program by writing a user-material subroutine. We perform two sets of finite-element simulations to model the behavior of polycrystalline SMAs: (1) The full finite-element model where each finite element represents a collection of martensitic microstructures which originated from within an austenite single crystal, chosen from a set of crystal orientations that approximates the initial austentic crystallographic texture. The macroscopic stress-strain responses are calculated as volume averages over the entire aggregate: (2) The Taylor model (J. Inst. Metals 62 (1938) 32) where an integration point in a finite element represents a material point which consist of sets of martensitic microstructures which originated from within respective austenite single-crystals. Here the macroscopic stress-strain responses are calculated through a homogenization scheme.Experiments in tension and compression were conducted on textured polycrystalline Ti-Ni rod initially in the martensitic phase by Xie et al (Acta Mater. 46 (1998) 1989). The material parameters for the constitutive model were calibrated by fitting the tensile stress-strain response from a full finite-element calculation of a polycrystalline aggregate to the simple tension experiment. With the material parameters calibrated the predicted stress-strain curve for simple compression is in very good accord with the corresponding experiment. By comparing the simulated stress-strain response in simple tension and simple compression it is shown that the constitutive model is able to predict the observed tension-compression asymmetry exhibited by polycrystalline Ti-Ni to good accuracy. Furthermore, our calculations also show that the macroscopic stress-strain response depends strongly on the initial martensitic microstructure and crystallographic texture of the material.We also show that the Taylor model predicts the macroscopic stress-strain curves in simple tension and simple compression reasonably well. Therefore, it may be used as a relatively inexpensive computational tool for the design of components made from shape-memory materials.     

FCC晶体中不均匀变形对空洞长大的影响

通过编制率相关有限元用户子程序,采用一个单胞模型研究了FCC晶体中孔洞在单晶及晶界的长大行为,分析了由于晶体取向及变形失配对孔洞长大和聚合的影响。研究结果表明：孔洞的形状和长大方向与晶体取向密切相关;晶界上孔洞的长大速度大于单晶中孔洞的长大速度;晶粒间的变形失配加速了晶界上孔洞的长大趋势,因而使材料易发生沿晶断裂,随着晶粒间取向因子差异的增加,孔洞越易沿着晶界长大。     

Surface Pile-Up Patterns in Indentation Testing of Cu Single Crystals

Nano- and micro-indentation of Cu single crystals is performed in directions not aligned with crystallographic axes. Such tests correspond to mechanical characterization of incidentally oriented grains in a polycrystalline or composite material. Orientation and size dependence of complex patterns of surface piling-up and sinking-in around the imprint are investigated. Experimental observations are compared with finite element simulations based on the large deformation crystal plasticity theory.     

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.     

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.     

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.     

磁电弹复合材料和刚性导电导磁圆柱压头的二维微动接触分析

本文求解平面应变状态下磁电弹复合材料半平面和刚性导电导磁圆柱压头的二维微动接触问题。假设压头具有良好的导电导磁性,且表面电势和磁势是常数。微动接触依赖载荷的加载历史,所以首先求解单独的法向加载问题,然后在法向加载问题的基础上求解循环变化的切向加载问题。整个接触区可以分为内部的中心粘着区和两个外部的滑移区,其中滑移区满足Coulomb摩擦法则。利用Fourier积分变换,磁电弹半平面的微动接触问题将简化为耦合的Cauchy奇异积分方程组,然后数值离散为线性代数方程组,利用迭代法求解未知的粘着/滑移区尺寸、电荷分布、磁感应强度、法向接触压力和切向接触力。数值算例给出了摩擦系数、总电荷和总磁感应强度对各加载阶段的表面接触应力、电位移和磁感应强度的影响。     

Finite element modeling of tube hydroforming of polycrystalline aluminum alloy extrusions

Finite element modeling of tube hydroforming requires information about the anisotropy of the extruded aluminum tube. Unlike sheet metals, the complex geometry of extruded tubes makes it difficult, except in extrusion direction, to directly measure material properties. Therefore, polycrystalline models provide a good alternative for calculating the anisotropy of the tube in all directions and under various loading conditions. Using a rate-independent single crystal yield surface and rigid plasticity, a Taylor-type polycrystalline model was developed and implemented into ABAQUS/Explicit finite element (FE) code using VUMAT. The constitutive model was then used to calculate the crystallographic texture evolution during the hydroforming of an extruded aluminum tube. Initial crystallographic texture measured using orientation imaging microscopy (OIM) and uniaxial tensile test data obtained along the extrusion direction were input to this FEA model. In order to efficiently and practically simulate the tube hydroforming process using the polycrystalline model, sensitivity to the number of grain orientation, total simulation time, and number of finite elements were studied. Predicted results agreed very well with experimentally measured strain obtained from tube hydroforming process.     

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.     

PREDICTION OF EARING IN TEXTURED ALUMINIUM SHEETS BASED ON CRYSTAL PLASTICITY

The phenomenon of earing is investigated in the present study based on the theory of crystal plasticity with the dynamic explicit finite element program developed. Firstly texture analysis is carried out of rolled aluminium alloy Al5052 by means of X-ray technique. Then from the texture coefficients an analytical expression for the orientation distribution function (ODF) is derived making use of the computer algebraic language Mathematica4.0, which makes it easier to discretize the ODF into a series of Eulerian angles representing the distribution of lattices and further the preferred orientation (texture) of crystals of the original sheets. For the polycrystal model, the material is described using crystal plasticity where each material point in grains with each grain modelled as an FCC crystal with 12 distinct slip systems. The modified Taylor theory of crystal plasticity is used and only the initial texture is taken into consideration during large plastic deformation. Numerical simulation of earing has been performed for an aluminium sheet with texture and one with crystals exhibiting random distribution to demonstrate the effect of texture of materials on their plastic anisotropy and formability. Project supported by the National Natural Science Foundation of China (No. 59875025).