Three-dimensional finite element simulations of ferroelectric polycrystals under electrical and mechanical loading

Complex, non-linear, irreversible, hysteretic behavior of polycrystalline ferroelectric materials under a combined electro-mechanical loading is a result of domain wall motion, causing simultaneous expansion and contraction of unlike domains, grain sub-divisions that have distinct spontaneous polarization and strain. In this paper, a 3-dimensional finite element method is used to simulate such a polycrystalline ferroelectric under electrical and mechanical loading. A constitutive law due to Huber et al. [1999. A constitutive model for ferroelectric polycrystals. J. Mech. Phys. Solids 47, 1663-1697] for switching by domain wall motion in multidomain ferroelectric single crystals is employed in our model to represent each grain, and the finite element method is used to solve the governing conditions of mechanical equilibrium and Gauss's law. The results provide the average behavior for the polycrystalline ceramic. We compare the outcomes predicted by this model with the available experimental data for various electromechanical loading conditions. The qualitative features of ferroelectric switching are predicted well, including hysteresis and butterfly loops, the effect on them of mechanical compression, and the response of the polycrystal to non-proportional electrical loading.     

The viscoplastic behavior of hastelloy-X single crystal

A viscoplastic constitutive model for Hastelloy-X single crystal material is developed based on crystallographic slip theory. The constitutive model was constructed for use in a viscoplastic self-consistent model for isotropic Hastelloy-X polycrystalline material, which has been described in a recent publication. It is found that, by using the slip geometry known from the metallurgical literature, the anisotropic response can be accurately predicted. The model was verified by using tension and torsion data taken at 982°C (1800°F). The constitutive model used on each slip system is a simple unified visoplastic power law model in which weak latent interaction effects are taken into account. The drag stress evolution equations for the octahedral system are written in a hardening/recovery format in which both hardening and recovery depend on separate latent interaction effects between the octahedral crystallographic slip systems. The strain rate behavior of the single crystal material is well correlated by the constitutive model in uniaxial and torsion tests, but it is necessary to include latent information effects between the octahedral slip systems in order to obtain the best possible representation of biaxial cyclic strain rate behavior. Finally, it was observed that the single crystal exhibited dynamic strain aging at 871°C (1600°F). Similar dynamic strain aging occurs at 649°C (1200°F) in the polycrystalline version of the alloy.     

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.     

A framework for numerical integration of crystal elasto-plastic constitutive equations compatible with explicit finite element codes

In this paper we summarize the elements of a numerical integration scheme for elasto-plastic response of single crystals. This is intended to be compatible with large-scale explicit finite element codes and therefore can be used for problems involving multiple crystals and also overall behavior of polycrystalline materials. The steps described here are general for anisotropic elastic and plastic response of crystals. The crystallographic axes of the lattice are explicitly stored and updated at each time step. A plastic predictor–elastic corrector scheme is used to calculate the plastic strain rates on all active slip systems based on a rate-dependent physics-based constitutive model without the need of further auxiliary assumptions. Finally we present the results of numerous calculations using a physics-based rate- and temperature-dependent model of copper and the effect of elastic unloading, elastic crystal anisotropy, and deformation-induced lattice rotation are emphasized.     

Evaluation of creep damage behavior of nickel-base directionally solidified superalloys with different crystallographic orientations

A crystallographic creep damage constitutive model is developed for nickel-base directionally solidified superalloys. The rates of material degradation and grain boundary void growth are considered. The governing parameters are determined from the creep test data of single crystals and directionally solidified superalloys with a crystallographic orientation. A finite element program is used to analyze the creep damage behavior of nickel-base directionally solidified superalloys for different crystallographic orientations. The results depend on the number of grains modelled and compare well with the experimental data.     

Study on magneto–elastic–plastic deformation characteristics of ferromagnetic rectangular plate with simple supports

In this paper, the magnetic-elastic-plastic deformation behavior is studied for a ferromagnetic plate with simple supports. The perturbation formula of magnetic force is first derived based on the perturbation technique, and is then applied to the analysis of deformation characteristics with emphasis laid on the analyses of modes, symmetry of deformation and influences of incident angle of applied magnetic field on the plate deformation. The theoretical analyses offer explanations why the configuration offer- romagnetic rectangular plate with simple supports under an oblique magnetic field is in-wavy type along the x-direction, and why the largest deformation of the ferromagnetic plate occurs at the incident angle of 45°for the magnetic field. A numerical code based on the finite element method is developed to simulate quantitatively behaviors of the nonlinearly coupled multi-field problem. Some characteristic curves are plotted to illustrate the magneto--elastic-plastic deflections, and to reveal how the deflections can be influenced by the incident angle of applied magnetic field. The deformation characteristics obtained from the numerical simulations are found in good agreement with the theoretical analyses.     

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.     

A finite element model of ferroelastic polycrystals

A finite element model of switching in polycrystalline ferroelastic ceramics is developed. It is assumed that a crystallite switches if the reduction in mechanically driven potential energy of the system exceeds a critical value per unit volume of switching material. Stress induced (i.e. ferroelastic) switching is a change of permanent strain in characteristic crystallographic directions. Martensitic twinning is one example, but the strain response of ferroelectric materials has the same characteristics. The model is suitable for representing ferroelastic systems such as shape memory alloys and as a preliminary model for ferroelectric/ferroelastic materials such as perovskite piezoelectrics. In the simulations, each crystallite is represented by a finite element and the crystallographic principal direction for each crystallite is assigned randomly. Different critical values for the energy barrier to switching are selected to simulate stress vs strain hysteresis loops of a ceramic lead lanthanum zirconate titanate (PLZT) at room temperature. The measured stress versus strain curves of polycrystalline ceramics designated PZT-A and PZT-B are also reproduced by the model.     

考虑尺寸效应的多晶金属循环塑性分析

本文采用多晶塑性分析方法,设材料点包含一定数量的各向异性单晶晶粒并考虑晶粒尺寸的影响,计算材料点的应力和应变时利用了Taylor假设。模型引入考虑尺寸效应的晶体滑移硬化函数,同时针对晶体滑移引入背应力及其方向性硬化的描述,以反映不同晶粒尺寸材料在循环加载条件下的力学行为。利用该模型,本文第一作者采用显式格式编制了与ABAQUS商用有限元软件接口的用户材料子程序（VUMAT）,实例计算证实该模型可以反映和描述多晶金属材料在材料反复加载条件下的循环塑性行为与尺寸效应。     

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.     

A unified framework for modeling hysteresis in ferroic materials

This paper addresses the development of a unified framework for quantifying hysteresis and constitutive nonlinearities inherent to ferroelectric, ferromagnetic and ferroelastic materials. Because the mechanisms which produce hysteresis vary substantially at the microscopic level, it is more natural to initiate model development at the mesoscopic, or lattice, level where the materials share common energy properties along with analogous domain structures. In the first step of the model development, Helmholtz and Gibbs energy relations are combined with Boltzmann theory to construct mesoscopic models which quantify the local average polarization, magnetization and strains in ferroelectric, ferromagnetic and ferroelastic materials. In the second step of the development, stochastic homogenization techniques are invoked to construct unified macroscopic models for nonhomogeneous, polycrystalline compounds exhibiting nonuniform effective fields. The combination of energy analysis and homogenization techniques produces low-order models in which a number of parameters can be correlated with physical attributes of measured data. Furthermore, the development of a unified modeling framework applicable to a broad range of ferroic compounds facilitates material characterization, transducer development, and model-based control design. Attributes of the models are illustrated through comparison with piezoceramic, magnetostrictive and shape memory alloy data and prediction of material behavior.     

Microstructure-based crystal plasticity modeling of cyclic deformation of Ti–6Al–4V

Ti–6Al–4V is a dual phase material with range of possible complex microstructures. It is well known that mechanical behavior of Ti–6Al–4V is significantly affected by its texture and microstructure morphology. A three-dimensional microstructure-based constitutive model for monotonic and cyclic deformation of duplex Ti–6Al–4V is developed and implemented. The model includes length scale effects associated with dislocation interactions with different microstructure features, and is calibrated using polycrystalline finite element simulations to fit the measured macroscopic responses (overall stress–strain behavior) of a duplex heat treated Ti–6Al–4V alloy subjected to a complex cyclic loading history. Representative microstructures are simulated using a three-dimensional finite element mesh with periodic boundary conditions imposed in all directions. The measured orientation and misorientation distributions of grains of this duplex Ti–6Al–4V are considered, and similar probability density distributions of the crystallographic orientations are assigned to the finite element mesh. The misorientation distributions are then fit using the simulated annealing method. Effects of microstructural features are examined and compared with the experimental data in terms of their influence on the material yield strength. The results are shown to be in good agreement with the experimental observations.     

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.     

A nonclassical constitutive model for crystal plasticity and its application

I.IntroductionTheresearchoncrystalplasticitycanbedatedbackto1930'sill.AherHill[=],HillandRicely]builtupaperfectsystemofthegeometryandkineticsofCrystalplasticity,itsapplicatiollbecolllesmoreandmoreattractive,especiallyintheallalysisofpolycrystallinelllaterialssubjectedtoInultiaxiallynonproportionalcyclicloading.Ithasalreadybeenrealizedthattileillll,ol'talltforthepracticalapplicationis:tofindal.ealisticalldeasilyapplicableof'ystallineconstitutiverelationandaneffectivenumericalapproach.Tilecon…     

On the fracture toughness of ferroelastic materials

The toughness enhancement due to domain switching near a steadily growing crack in a ferroelastic material is analyzed. The constitutive response of the material is taken to be characteristic of a polycrystalline sample assembled from randomly oriented tetragonal single crystal grains. The constitutive law accounts for the strain saturation, asymmetry in tension versus compression, Bauschinger effects, reverse switching, and strain reorientation that can occur in these materials due to the non-proportional loading that arises near a propagating crack. Crack growth is assumed to proceed at a critical level of the crack tip energy release rate. Detailed finite element calculations are carried out to determine the stress and strain fields near the growing tip, and the ratio of the far field applied energy release rate to the crack tip energy release rate. The results of the finite element calculations are then compared to analytical models that assume the linear isotropic K-field solution holds for either the near tip stress or strain field. Ultimately, the model is able to account for the experimentally observed toughness enhancement in ferroelastic ceramics.     

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.     

磁性形状记忆合金力磁耦合行为的唯象模型研究

本文基于热力学及耗散概念,推导了一种磁性形状记忆合金（MSMA）的力磁耦合三维唯象本构关系。采用内变量模拟微观相结构及磁结构的演化,考虑了马氏体相变过程及马氏体重定向过程。同时,本文摒弃了传统的单畴假设,运用双畴模型来模拟循环加载下的磁畴结构演化。根据文献中的二维加载情况的实验数据确定本模型的参数。数值模拟结果表明：本文的模型可以很好的捕捉磁性形状记忆合金的形状记忆效应、应变及磁化响应的滞后性。应变及磁化响应模拟结果明显比文献中的理论模型更加吻合实验数据,尤其是低磁场时尤为明显。