Strain gradient crystal plasticity effects on flow localization

In metal grains one of the most important failure mechanisms involves shear band localization. As the band width is small, the deformations are affected by material length scales. To study localization in single grains a rate-dependent crystal plasticity formulation for finite strains is presented for metals described by the reformulated Fleck–Hutchinson strain gradient plasticity theory. The theory is implemented numerically within a finite element framework using slip rate increments and displacement increments as state variables. The formulation reduces to the classical crystal plasticity theory in the absence of strain gradients. The model is used to study the effect of an internal material length scale on the localization of plastic flow in shear bands in a single crystal under plane strain tension. It is shown that the mesh sensitivity is removed when using the nonlocal material model considered. Furthermore, it is illustrated how different hardening functions affect the formation of shear bands.     

Dislocation-based micropolar single crystal plasticity: Comparison of multi- and single criterion theories

Two new formulations of micropolar single crystal plasticity are presented within a geometrically linear setting. The construction of yield criteria and flow rules for generalized continuum theories with higher-order stresses can be done in one of two ways: (i) a single criterion can be introduced in terms of a combined equivalent stress and inelastic rate or (ii) or individual criteria can be specified for each conjugate stress/inelastic kinematic rate pair, a so-called multi-criterion theory. Both single and multi-criterion theories are developed and discussed within the context of dislocation-based constitutive models. Parallels and distinctions are made between the proposed theories and some of the alternative generalized crystal plasticity models that can be found in the literature. Parametric numerical simulations of a constrained thin film subjected to simple shear are conducted via finite element analysis using a simplified 2-D version of the fully 3-D theory to highlight the influence of specific model components on the resulting deformation under both loading and unloading conditions. The deformation behavior is quantified in terms of the average stress-strain response and the local shear strain and geometrically necessary dislocation density distributions. It is demonstrated that micropolar single crystal plasticity can qualitatively capture the same range of behaviors as slip gradient-based models, while offering a simpler numerical implementation and without introducing plastic slip rates as generalized traction-conjugate velocities subject to an additional microforce balance.     

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.     

Predictive modeling of nanoindentation-induced homogeneous dislocation nucleation in copper

Nanoscale contact of material surfaces provides an opportunity to explore and better understand the elastic limit and incipient plasticity in crystals. Homogeneous nucleation of a dislocation beneath a nanoindenter is a strain localization event triggered by elastic instability of the perfect crystal at finite strain. The finite element calculation, with a hyperelastic constitutive relation based on an interatomic potential, is employed as an efficient method to characterize such instability. This implementation facilitates the study of dislocation nucleation at length scales that are large compared to atomic dimensions, while remaining faithful to the nonlinear interatomic interactions. An instability criterion based on bifurcation analysis is incorporated into the finite element calculation to predict homogeneous dislocation nucleation. This criterion is superior to that based on the critical resolved shear stress in terms of its accuracy of prediction for both the nucleation site and the slip character of the defect. Finite element calculations of nanoindentation of single crystal copper by a cylindrical indenter and predictions of dislocation nucleation are validated by comparing with direct molecular dynamics simulations governed by the same interatomic potential. Analytic 2D and 3D linear elasticity solutions based on the Stroh formalism are used to benchmark the finite element results. The critical configuration of homogeneous dislocation nucleation under a spherical indenter is quantified with full 3D finite element calculations. The prediction of the nucleation site and slip character is verified by direct molecular dynamics simulations. The critical stress state at the nucleation site obtained from the interatomic potential is in quantitative agreement with ab initio density functional theory calculation.     

Dwell fatigue crack nucleation model based on crystal plasticity finite element simulations of polycrystalline titanium alloys

In this paper a crystal plasticity-based crack nucleation model is developed for polycrystalline microstructures undergoing cyclic dwell loading. The fatigue crack nucleation model is developed for dual-phase titanium alloys admitting room temperature creep phenomenon. It is a non-local model that accounts for the cumulative effect of slip on multiple slip systems, and involves evolving mixed-mode stresses in the grain along with dislocation pileups in contiguous grains. Rate dependent, highly anisotropic behavior causes significant localized stress concentration that increases with loading cycles. The crystal plasticity finite element (CPFE) model uses rate and size-dependent anisotropic elasto-crystal plasticity constitutive model to account for these effects. Stress rise in the hard grain is a consequence of time-dependent load shedding in adjacent soft grains, and is the main cause of crack nucleation in the polycrystalline titanium microstructure. CPFE simulation results are post-processed to provide inputs to the crack nucleation model. The nucleation model is calibrated and satisfactorily validated using data available from acoustic microscopy experiments for monitoring crack evolution in dwell fatigue experiments.     

冲击载荷作用下颗粒材料动态力学响应的近场动力学模拟

颗粒材料在冲击载荷作用下的动态力学行为是学术界关注的热点问题. 新近问世的近场动力学(peridynamics)理论将材料视为由大量有限体积和有限质量的物质点组成,基于非连续性和非局部作用假定建模,建立空间积分形式的运动方程,自然适应于颗粒材料动态力学行为的描述与分析. 发展了描述颗粒间接触作用的物质点尺度的排斥力模型,考虑近场动力学方法中非局部长程力特征,改进了近场动力学中的初始微观弹脆性(prototype microelastic brittle, PMB) 模型的本构力函数,并消除了原PMB 模型中存在的“边界效应” 问题. 计算分析了冲击载荷作用下碳化钨陶瓷颗粒体系的动态力学响应,得到了不同冲击速度下颗粒体系的冲击波速,PD计算结果与试验结果高度一致;通过颗粒物质点尺度作用描述单颗粒尺度的接触作用,很好地再现了颗粒的转动与平动、颗粒挤压变形以及颗粒破碎等现象;刚性冲击板附近同时存在严重的颗粒破碎与轻微的颗粒损伤,远离冲击板的部分颗粒出现破损,且颗粒破碎主要是由颗粒间挤压、碰撞以及相对滑动剪切作用造成的. 研究结果表明,所发展的计算模型和分析方法能很好地反映颗粒材料动态力学行为,具有广泛的应用价值.      

Crystal plasticity finite element modeling of mechanically induced martensitic transformation (MIMT) in metastable austenite

A new crystal plasticity model incorporating the mechanically induced martensitic transformation in metastable austenitic steel has been formulated and implemented into the finite element analysis. The kinetics of martensite transformation is modeled by taking into consideration of a nucleation-controlled phenomenon, where each potential martensitic variant based on Kurdjumov–Sachs (KS) relationship has different nucleation probability as a function of the interaction energy between externally applied stress and lattice deformation. Therefore, the transformed volume fractions are determined following selective variants given by the crystallographic orientation of austenitic matrix and applied stress in the frame of the crystal plasticity finite element. The developed finite element program is capable of considering the effect of volume change by the Bain deformation and the lattice-invariant shear during the martensitic transformation by effectively modifying the evolution of plastic deformation gradient of the conventional rate-dependent crystal plasticity finite element. The validation of the proposed model has been carried out by comparing with the experimentally measured data under simple loading conditions. Good agreements with the measurements for the stress–strain responses, transformed martensitic volume fractions and the influence of strain rate on the deformation behavior will enable the model to be promising for the future applications to the real forming process of the TRIP aided steel.     

Superposition of non-ordinary state-based peridynamics and finite element method for material failure simulations

Superposition of non-ordinary state-based peridynamics and finite element method for material failure simulations, including crack propagation and strain localization is developed. By this approach, a peridynamic model capable of effectively treating strong and weak discontinuities is superimposed in the critical regions over an underlying finite element mesh placed over the entire problem domain. A rigorous variational framework of coupling local finite element and nonlocal peridynamics approximations that is free of blending parameters is developed. Several numerical examples involving mixed-model fracture, three-dimensional adaptive crack propagation and strain localization induced ductile failure demonstrate the rational and efficiency of the proposed superposition-based coupling approach.

     

Anisotropic strain hardening behavior in simple shear for cube textured aluminum alloy sheets

Finite element (FE) simulations of the simple shear test were conducted for 1050-O and 6022-T4 aluminum alloy sheet samples. Simulations were conducted with two different constitutive equations to account for plastic anisotropy: Either a recently proposed anisotropic yield function combined with an isotropic strain hardening law or a crystal plasticity model. The FE computed shear stress–shear strain curves were compared to the experimental curves measured for the two materials in previous works. Both phenomenological and polycrystal approaches led to results consistent with the experiments. These comparisons lead to a discussion concerning the assessment of anisotropic hardening in the simple shear test.     

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.     

Multiscale modeling of the plasticity in an aluminum single crystal

This paper describes a numerical, hierarchical multiscale modeling methodology involving two distinct bridges over three different length scales that predicts the work hardening of face centered cubic crystals in the absence of physical experiments. This methodology builds a clear bridging approach connecting nano-, micro- and meso-scales. In this methodology, molecular dynamics simulations (nanoscale) are performed to generate mobilities for dislocations. A discrete dislocations numerical tool (microscale) then uses the mobility data obtained from the molecular dynamics simulations to determine the work hardening. The second bridge occurs as the material parameters in a slip system hardening law employed in crystal plasticity models (mesoscale) are determined by the dislocation dynamics simulation results. The material parameters are computed using a correlation procedure based on both the functional form of the hardening law and the internal elastic stress/plastic shear strain fields computed from discrete dislocations. This multiscale bridging methodology was validated by using a crystal plasticity model to predict the mechanical response of an aluminum single crystal deformed under uniaxial compressive loading along the [4 2 1] direction. The computed strain-stress response agrees well with the experimental data.     

Computational nanoscale plasticity simulations using embedded atom potentials

In determining structure–property relations for plasticity at different size scales, it is desired to bridge concepts from the continuum to the atom. This raises many questions related to volume averaging, appropriate length scales of focus for an analysis, and postulates in continuum mechanics. In a preliminary effort to evaluate bridging size scales and continuum concepts with descritized phenomena, simple shear molecular dynamics simulations using the Embedded Atom Method (EAM) potentials were performed on single crystals. In order to help evaluate the continuum quantities related to the kinematic and thermodynamic force variables, finite element simulations (with different material models) and macroscale experiments were also performed. In this scoping study, various parametric effects on the stress state and kinematics have been quantified. The parameters included the following: crystal orientation (single slip, double slip, quadruple slip, octal slip), temperature (300 and 500 K), applied strain rate (10⁶–10¹² s⁻¹), specimen size (10 atoms to 2 μm), specimen aspect ratio size (1:8–8:1), deformation path (compression, tension, simple shear, and torsion), and material (nickel, aluminum, and copper). Although many conclusions can be drawn from this work, which has provided fodder for more studies, several major conclusions can be drawn.

• The yield stress is a function of a size scale parameter (volume-per-surface area) that was determined from atomistic simulations coupled with experiments. As the size decreases, the yield stress increases.

• Although the thermodynamic force (stress) varies at different size scales, the kinematics of deformation appears to be very similar based on atomistic simulations, finite element simulations, and physical experiments.

Atomistic simulations, that inherently include extreme strain rates and size scales, give results that agree with the phenomenological attributes of plasticity observed in macroscale experiments. These include strain rate dependence of the flow stress into a rate independent regime; approximate Schmid type behavior; size scale dependence on the flow stress, and kinematic behavior of large deformation plasticity.     

Mixed mode (I and II) crack tip fields in bulk metallic glasses

Stationary crack tip fields in bulk metallic glasses under mixed mode (I and II) loading are studied through detailed finite element simulations assuming plane strain, small scale yielding conditions. The influence of internal friction or pressure sensitivity on the plastic zones, notch deformation, stress and plastic strain fields is examined for different mode mixities. Under mixed mode loading, the notch deforms into a shape such that one part of its surface sharpens while the other part blunts. Increase in mode II component of loading dramatically enhances the normalized plastic zone size, lowers the stresses but significantly elevates the plastic strain levels near the notch tip. Higher internal friction reduces the peak tangential stress but increases the plastic strain and stretching near the blunted part of the notch. The simulated shear bands are straight and extend over a long distance ahead of the notch tip under mode II dominant loading. The possible variations of fracture toughness with mode mixity corresponding to failure by brittle micro-cracking and ductile shear banding are predicted employing two simple fracture criteria. The salient results from finite element simulations are validated by comparison with those from mixed mode (I and II) fracture experiments on a Zr-based bulk metallic glass.     

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.     

Strain gradient crystal plasticity analysis of a single crystal containing a cylindrical void

The effects of void size and hardening in a hexagonal close-packed single crystal containing a cylindrical void loaded by a far-field equibiaxial tensile stress under plane strain conditions are studied. The crystal has three in-plane slip systems oriented at the angle 60° with respect to one another. Finite element simulations are performed using a strain gradient crystal plasticity formulation with an intrinsic length scale parameter in a non-local strain gradient constitutive framework. For a vanishing length scale parameter the non-local formulation reduces to a local crystal plasticity formulation. The stress and deformation fields obtained with a local non-hardening constitutive formulation are compared to those obtained from a local hardening formulation and to those from a non-local formulation. Compared to the case of the non-hardening local constitutive formulation, it is shown that a local theory with hardening has only minor effects on the deformation field around the void, whereas a significant difference is obtained with the non-local constitutive relation. Finally, it is shown that the applied stress state required to activate plastic deformation at the void is up to three times higher for smaller void sizes than for larger void sizes in the non-local material.     

晶体塑性变形离散滑移模型及有限元分析

基于韧性单晶体实验现象，建立了描述晶体塑性变形的离散滑移模型．该模型的主要特点是：晶体滑移变形在宏观上是不均匀的，滑移带的分布是离散的．利用晶体塑性理论对模型进行了有限变形有限元分析，计算结果揭示了晶体滑移的离散行为，模拟的应力 应变曲线与实验曲线相吻合     

Quasi-soft opto-mechanical behavior of photochromic liquid crystal elastomer: Linearized stress–strain relations and finite element simulations

Based on the neo-classical elastic energy of liquid crystal elastomers, the opto-mechanical behavior is modeled by considering the effect of photoisomerization on the nematic-isotropic transition of liquid crystal phase. Linearized stress–strain relation is derived for infinitesimal deformations with a very unusual shear stress that does not vanish identically as in the case of the soft behavior but is proportional to the rotation of directors. In other words, the shear stress depends on both the shear strain and the skew symmetric part of the displacement gradient with the shear modulus induced by the effect of photoisomerization. Finite element implementation for plane stress problems is obtained through a self-defined material subroutine in ABAQUS FEA tool. Numerical simulations show that the light induced deformations of two dimensional specimens consist of contractions, expansions and bending in different directions. The stress distributions indicate that the driving force for the light induced bending is produced by the bending moment of the normal stress along the director, while the other stress components are much smaller for two dimensional beam shaped specimens. However, the shear stress of the soft LCE is generally nonzero under light illumination due to the inhomogeneity of the opto-mechanical effect. It can be concluded from the strain distributions that the transversal plane cross section could remain plane after deformation if the light intensity or the decay distance is not too small and the sample is in the deep nematic phase. However, the shear strain and in plane rotation are of the same order as the other strain components, and thus should not be neglected. This indicates that the classical simple bending assumptions such as the Euler–Bernoulli beam theory should not be directly applied to model the light induced bending of neo-classical liquid crystal elastomers due to the soft behavior of the materials.     

基于偶应力理论剪切带问题的弹塑性有限元分析

对于软化材料的剪切带问题,传统弹塑性有限元分析遇到了困难,进入弹塑性阶段,计算结果对网格划分敏感,出现所谓的有限元网格依赖性问题,随着网格的细分,计算常常因不收敛导致失效. 用有限元软件ABAQUS计算了3个例题,证实了传统弹塑性有限元分析软化材料剪切带问题的局限性,同时证实对于无剪切带的厚壁筒问题不会出现上述问题. 进一步引入细观非局部化理论,对非局部理论含有的细观参数\ell进行了深入讨论,并采用可通过C0 -1分片检验的18参偶应力三角形单元,重新计算了3个例题,结果避免了上述问题,说明细观偶应力有限元尤其适用于分析剪切带问题.      

The initiation and growth of adiabatic shear bands

A simple version of thermo/viscoplasticity theory is used to model the formation of adiabatic shear bands in high rate deformation of solids. The one dimensional shearing deformation of a finite slab is considered. For the constitutive assumptions made in this paper, homogeneous shearing produces a stress/strain response curve that always has a maximum when strain and rate hardening, plastic heating, and thermal softening are taken into account. Shear bands form if a perturbation is added to the homogeneous fields just before peak stress is obtained with these new fields being used as initial conditions. The resulting initial/boundary value problem is solved by the finite element method for one set of material parameters. The shear band grows slowly at first, then accelerates sharply, until finally the plastic strain rate in the center reaches a maximum, followed by a slow decline. Stress drops rapidly throughout the slab, and the central temperature increases rapidly as the peak in strain rate develops.     

An implicit algorithm for hypoelasto-plastic and hypoelasto-viscoplastic endochronic theory in finite strain isotropic–kinematic-hardening model

This paper is concerned with objective stress update algorithm for elasto-plastic and elasto-viscoplastic endochronic theory within the framework of additive plasticity. The elastic response is stated in terms of hypoelastic model and endochronic constitutive equations are stated in unrotated frame of reference. A trivially incrementally objective integration scheme for rate constitutive equations is established. Algorithmic modulus consistent with numerical integration algorithm of constitutive equations is extracted. The implementation is validated by means of a set of simple deformation paths (simple shear, extension and rotation), two benchmark test in nonlinear mechanics (the necking of a circular bar and expansion of a thick-walled cylinder), a test which demonstrates the capabilities of the proposed model in simulation of cyclic loading and ratcheting in finite strain case (cyclically loaded notched bar) and finally, the analysis of a tensile test, which presents a shear band with a finite thickness independent of the finite element mesh using endochronic viscoplastic constitutive model.