多晶体变形、应力的不均匀性及宏观响应

从单晶滑移变形分析的角度探讨多晶体塑性变形和应力的不均匀性及宏观力学响应：建议了 一种当前构形下以应力为基本变量的单晶黏塑性增量迭代计算方法；用Voronoi晶粒集合体 模型研究多晶体由于晶粒几何及取向的随机性造成的变形和应力的不均匀性, 进行了多晶集 合体的宏观响应和晶粒位向演化数值分析. 结果表明：(1)多晶体内等效塑性应变和应力分量在统计上呈现高斯分布，在应变硬化过程中, 随着塑性变形增加多晶体微观应力的统计变异系数会越来越大；(2)用Voronoi模型计算可得到沿最大剪应力方向的滑移变形带；(3)多晶体内最高三轴拉应力一般出现在晶界特别是三晶交界处；(4)Voronoi模型能用于织构分析.     

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。     

正交各向异性韧性材料应力-应变关系

采用大变形弹塑性有限元方法分析了各向同性和正交各向异性韧性材料光滑圆棒拉伸试件的颈缩问题．首先给出了采用计算机模拟确定各向同性韧性材料真实应力-应变曲线的具体方法；对正交各向异性韧性材料的分析表明，颈缩截面呈椭圆形，其长短轴方向的等效塑性应变基本上均匀分布，与Bridgman假设一致；轴向拉伸载荷-位移曲线与其它两方向的各向异性参数关系不大．在此基础上，建议了一种确定正交各向异性韧性材料真实应力-应变曲线的方法．     

铜基多晶体形状记忆合金伪弹性的实验研究

首次用高灵敏度云纹干涉法对铜基多晶体形状记忆合金的伪弹性行为进行了实验研究，得到了单轴拉伸试件在不同加卸载阶段应力诱发的相变塑性全场分布。实验结果表明：一些晶粒内部的相变塑性几乎均匀分布，但不同晶粒之间的变形差异很大，各晶粒的伪弹性行为明显不同。     

镁合金晶体塑性本构模型与非均匀孪生变形分析

微结构演化对镁合金材料力学性能有着显著的影响，为了揭示镁合金宏观塑性各向异性特性与非均匀孪生变形的关系，开展了不同路径下的单轴加载试验以及采用含滑移、孪生机制的晶体塑性本构模型对试验条件下的镁合金变形行为进行数值模拟研究。文中本构模型描述了滑移与孪生变形机制以及晶格转动的机制，同时研究采用三维微结构代表性有限元模型，其包含晶粒尺寸、晶向和晶界倾角等微结构参数。研究结果表明，轧制镁合金具有强烈的宏观塑性各向异性行为，并对这种镁合金塑性各向异性行为的模拟结果以及多晶织构的模拟演化结果与试验测量进行对比，结果都基本吻合。对孪生非均匀变形模拟分析表明，镁合金宏观塑性各向异性行为与滑移、孪生变形机制的不同启动组合紧密相关，同时多晶体内应力的非均匀分布受到孪生变形的严重影响。而不同晶粒尺寸的晶粒所发生的孪生变形有比较大的差异，造成孪晶变体在晶粒内的分布极不均匀。本研究可为通过微结构的合理配置来设计和控制材料的力学性能提供理论依据.     

多晶石墨烯拉伸力学性能及其影响因素的灵敏度分析

晶粒尺寸、温度和应变率等对纳米材料的力学性能有重要影响.论文通过分子动力学(MD)数值模拟,分析了不同晶粒尺寸多晶石墨烯在不同温度、拉伸应变率下的杨氏弹性模量、极限应力和极限应变等拉伸力学性能.结果表明,晶粒尺寸、温度和拉伸应变率对拉伸力学性能有较大影响.利用正交实验理论,分别分析了杨氏弹性模量、极限应力和极限应变对晶粒尺寸、温度和拉伸应变率的敏感程度.结果表明,杨氏弹性模量和极限应力对影响因素的敏感程度由大到小依次为晶粒尺寸、温度和拉伸应变率;极限应变对影响因素的敏感程度由大到小依次为晶粒尺寸、拉伸应变率和温度.研究结果可为多晶石墨烯的理论研究和工程应用提供参考.     

Ce—TZP结构陶瓷相变塑性区实验研究

用云纹干涉法对ＺｒＯ＿２相变多晶体三点弯曲梁切口周围应力诱导的相变塑性区进行了实验研究，得到了三点弯曲梁切口周围相变塑性区的形状及相变塑性分布。实验结果表明：Ｃｅ－ＴＺＰ结构陶瓷切口周围存在一个较长的扩展相变塑性区，相变塑性区内拉伸应力方向的塑性应变远大于垂直于拉伸应力方向的塑性应变。所得实验结果为进一步深入研究相变本构关系和相变增韧机理提供了重要的实验依据。     

HILL屈服准则与晶体塑性模型对FCC单晶材料塑性各向异性描述能力的比较

采用宏观HILL模型和晶体塑性模型对面心立方单晶(FCC)材料的非均匀交形进行了数值模拟，意在比较两种不同尺度的模型对塑性各向异性的描述能力的差异。为了使两种模型具有可比性，对于FCC单晶材科，本文提出一种用晶体塑性模型来确定HILL模型中各向异性参数的标定方法。数值分析表明，两类模型对单晶体塑性各向异性的描述能力存在着差异。对FCC单晶材料，HILL模型对各向异性的预测能力没有晶体塑性模型细致，晶体塑性模型更能追踪塑性各向异性的变化。但两种模型对应力应变响应预测的趋势是一致的。对两种模型描述的差异，做了详细的分析。     

SiCp/Al复合材料增强颗粒尺寸效应的细观分析

运用Voronoi方法建立了反映金属基颗粒增强复合材料(MMCp)微结构的多晶集合体代表性单元(RVE);采用Taylor关系推导了包含颗粒结构尺寸和体积分数参数的位错滑移硬化函数;建立了由300个平均粒度约为20μm的晶粒组成的多晶集合体代表性单元,并对MMCp3.5-5、MMCp3.5-10、MMCp10-5、MMCp10-10四种具有不同粒径和体积分数的铝基SiC颗粒增强复合材料在宏观均匀变形条件下的应力应变响应进行了数值模拟。计算结果表明:复合材料的应力应变模拟曲线与试验曲线吻合得较好,说明所推导的模型和硬化模式能够合理地描述颗粒增强尺度效应的变化趋势;多晶体模型也能够合理地表现复合材料内部应力应变在空间分布上的细观不均匀性。数值模拟结果反映了颗粒增强区承载着较大的载荷份额,而非颗粒存在区(基体)则承受着高达18%的应变,在两个区域的交界处出现了高达310MPa的应力集中,与已有文献试验观测的结果比较吻合。     

FeCrAl合金材料织构对其宏观力学本构关系的影响研究

FeCrAl合金具有优良的高温抗氧化性和耐辐照性能，是事故容错核燃料包壳的重要候选材料. 其在加工过程和热处理过程中易形成α纤维织构（<110>//RD）和γ纤维织构（<111>//ND），会影响材料的宏观力学性能与深加工成形能力. 本研究针对具有不同织构的多晶FeCrAl合金，建立了代表性体元模型, 使用晶体塑性有限元方法，在ABAQUS/Explicit中模拟材料单轴加载下的宏观应力应变曲线，分析不同织构对FeCrAl合金宏观力学本构关系的影响. 计算结果表明，对于具有α织构、γ织构和晶粒无择优取向的材料，在轧向上的应力应变曲线差异较小. γ织构会引起材料强烈的各向异性，在轧面法向上的屈服强度远高于轧向和横向上的屈服强度，这是因为晶粒的<111>方向平行于加载方向，滑移系难以启动. 提高γ纤维织构的比例，将增大轧面法向上的屈服强度. 本研究可以为优化FeCrAl合金材料织构、加工条件和材料力学性能提供参考.     

Mesoscale modeling of nonlinear elasticity and fracture in ceramic polycrystals under dynamic shear and compression

Dynamic deformation and failure mechanisms in polycrystalline ceramics are investigated through constitutive modeling and numerical simulation. Two ceramics are studied: silicon carbide (SiC, hexagonal crystal structure) and aluminum oxynitride (AlON, cubic crystal structure). Three dimensional finite element simulations incorporate nonlinear anisotropic elasticity for behavior of single crystals within polycrystalline aggregates, cohesive zone models for intergranular fracture, and contact interactions among fractured interfaces. Boundary conditions considered include uniaxial strain compression, uniaxial stress compression, and shear with varying confinement, all at high loading rates. Results for both materials demonstrate shear-induced dilatation and increasing shear strength with increasing confining pressure. Failure statistics for unconfined loading exhibit a smaller Weibull modulus (corresponding to greater scatter in peak failure strength) in AlON than in SiC, likely a result of lower prescribed cohesive fracture strength and greater elastic anisotropy in the former. In both materials, the predicted Weibull modulus tends to decrease with an increasing number of grains contained in the simulated microstructure.     

纳米多晶NiTi形状记忆合金超弹性的晶粒取向依赖性相场研究

本文基于Ginzburg-Landau理论,建立了一个反映纳米多晶NiTi形状记忆合金取向依赖性的二维多晶相场模型,研究了晶粒取向对其超弹性性能的影响。结果表明,纳米多晶NiTi形状记忆合金的超弹性行为依赖于晶粒取向分布,即：多晶模型中在所研究的参数变化范围内,晶粒取向分布范围越广、晶粒间取向差越大（无明显织构）,超弹性性能越差;而晶粒取向分布范围越窄、晶粒间取向差越小（织构越强）,超弹性性能越好。该晶粒取向依赖性可解释为：由于晶粒取向的不同,马氏体相变过程中相邻晶粒间的变形不匹配程度不同,因此,多晶模型中在所研究的参数变化范围内,晶粒间取向差异越大,晶界处的变形失配越严重,由此而产生的局部内应力将阻碍其附近马氏体相变的扩展,进而导致纳米多晶NiTi形状记忆合金超弹性性能下降。     

Propagation and scattering of ultrasonic waves in polycrystals with arbitrary crystallite and macroscopic texture symmetries

A general ultrasonic attenuation model for a polycrystal with arbitrary macroscopic texture and triclinic ellipsoidal grains is described with proper accounting for the anisotropic Green’s function for the reference medium. The texture and the ellipsoidal grain frames in the model are independent and the wave propagation direction is arbitrary. The attenuation coefficients are obtained in the Born approximation accompanied by the Rayleigh and stochastic asymptotes. The scattering model displays statistical anisotropy due to two independent factors: (1) shape of the oriented grains and (2) preferred crystallographic orientation of the grains leading to macroscopic anisotropy of the homogenized reference medium. The model is applicable to most single phase polycrystalline materials that may occur as a result of thermomechanical manufacturing processes leading to different macrotextures and elongated-shaped grains. It predicts the strength of ultrasonic scattering and its dependence on frequency and propagation direction as a function of grain shape, grain crystallographic symmetry and macroscopic texture parameters and provides the texture-induced dependence of macroscopic ultrasonic velocity on propagation angle. It considers proper wave polarizations due to macroscopic anisotropy and scattering-induced transformations of waves with different polarizations. Competing effects of grain shape and texture on the attenuation are observed. In contrast to the macroscopically isotropic case, where in the stochastic regime the attenuation is highest in the direction of the longest ellipsoidal axis of the grain, the wave attenuation in the elongation direction may be suppressed or amplified by the texture with different effects on the quasilongitudinal and quasitransverse waves. The frequency behavior is also interestingly affected by texture: a hump in the total attenuation coefficient is found for the fast quasitransverse wave which is purely the result of macroscopic anisotropy and the existence of two quasitransverse waves; this hump is not observed in the macroscopically isotropic case. Striking differences of the texture effect on the directional dependences of the attenuation coefficients are found at low versus high frequencies.     

A multivariant micromechanical model for SMAs Part 2. Polycrystal model

An averaging scheme is developed to simulate the behavior of a polycrystalline shape memory alloy (SMA) specimen using the Multivariant Micromechanics approach. An untextured polycrystalline specimen is assumed to be formed by a number of randomly oriented single crystal grains. The previously developed Multivariant technique is used to model the response of each single crystal grain subjected to its stress field seen in the polycrystalline sample. Using spherical grains, the Eshelby–Kröner approach is used to formulate the interaction between grains and to determine the stress state in each individual grain. This model successfully captures the basic features of SMA polycrystalline response to loading and temperature. In addition, comparison is made to recent experimental data with fully triaxial load states. Reasonable qualitative agreement is obtained and some issues related to crystallography of the material model are addressed.     

A procedure for estimating Young’s modulus of textured polycrystalline materials

In this study, a procedure for estimating Young’s modulus of textured and non-textured polycrystalline materials was examined based on finite element analyses, which were performed using three-dimensional polycrystalline finite element models of a random structure, generated using the Voronoi tessellation. Firstly, the local stress/strain distribution and its influence on macroscopic elastic properties were evaluated. Then, the statistical relationship between Young’s modulus obtained from the finite element analyses and averaged Young’s modulus of all grains evaluated based on Voigt’s or Reuss’ model was investigated. It was revealed that the local stress/strain in the polycrystalline body is affected by crystal orientation and deformation constraint caused by adjacent grains, whereas only the crystal orientation affects Young’s modulus of the polycrystalline body when the number of grains is large enough. It was also shown that Young’s modulus correlates well with the averaged Young’s modulus of all grains, in which the size of grains is considered in the averaging. Finally, a procedure for estimating Young’s modulus of textured and non-textured materials was proposed. Young’s modulus of various materials can be estimated from the elastic constants of single crystal and the distribution of crystal orientation and size of grains, which can be obtained by using electron backscatter diffraction (EBSD).     

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

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

Modeling dynamic plasticity and spall fracture in high density polycrystalline alloys

The dynamic thermomechanical response of a tungsten heavy alloy is investigated via modeling and numerical simulation. The material of study consists of relatively stiff pure tungsten grains embedded within a more ductile matrix alloy comprised of tungsten, nickel, and iron. Constitutive models implemented for each phase account for finite deformation, heat conduction, plastic anisotropy, strain-rate dependence of flow stress, thermal softening, and thermoelastic coupling. The potentially nonlinear volumetric response in tungsten at large pressures is addressed by a pressure-dependent effective bulk modulus. Our framework also provides a quantitative prediction of the total dislocation density, associated with cumulative strain hardening in each phase, and enables calculation of the fraction of plastic dissipation converted into heat energy. Cohesive failure models are employed to represent intergranular fracture at grain and phase boundaries. Dynamic finite element simulations illustrate the response of realistic volume elements of the polycrystalline microstructure subjected to compressive impact loadings, ultimately resulting in spallation of the material. The relative effects of mixed-mode interfacial failure criteria, thermally-dependent fracture strengths, and grain shapes and orientations upon spall behavior are weighed, with interfacial properties exerting a somewhat larger influence on the average pressure supported by the volume element than grain shapes and initial lattice orientations within the bulk material. Spatially resolved profiles of particle velocities at the free surfaces of the volume elements indicate the degree to which the incident and reflected stress waves are altered by the heterogeneous microstructure.