材料三维微结构表征及其晶体塑性有限元模拟

材料的力学性能,尤其是在有限变形下所呈现的宏观各向异性,是材料结构设计和服役寿命考虑的关键因素。由于宏观模型不能较好地反映材料微观结构(晶粒的形貌和取向等)对宏观塑性各向异性的影响,因此,本文建立了能实际反映晶粒形貌的三维Voronoi模型,并基于晶体塑性理论对铝合金在有限变形下的响应进行计算。首先,建立反映材料微结构的代表性体积单元RVE模型进行计算,并与实验结果进行对比验证。然后,以单向拉伸为例,分析了有限变形过程中试件的晶粒形貌和取向分布等微观因素对宏观各向异性演化的影响,并从材料和结构两个层面讨论了微观结构对宏观力学性能的影响。结果表明,本文模型能够反映微观结构对宏观力学性能的影响,为实际生产制造领域构件的力学性能提供可靠的预测。     

基于微结构动态演化机制的单晶镍基高温合金晶体塑性本构及其有限元模拟

因其优异的高温力学性能,镍基单晶高温合金在航空航天和能源等领域得到了广泛的应用.镍基单晶高温合金优异的高温性能来源于其特有的两相微结构.基于代表体胞模型及分块均匀化方法,以位错密度为主要内变量,发展了一个包含两相微结构和位错演化信息的单晶镍基高温合金塑性行为的本构模型.该本构模型充分考虑了镍基单晶合金中位错在基体相和沉淀增强相中的多种演化机制,例如,基体位错八面体滑移、立方滑移、位错攀移、交滑移、位错弓出、位错切过沉淀增强相以及位错Kear-Wilsdolf(K-W)锁形成与解锁等.在商用有限元软件ABAQUS的框架下,编制了UMAT用户材料子程序.利用该用户子程序,对单晶和多晶镍基高温合金在不同温度、不同加载方向下的单调塑性、循环塑性、蠕变等典型行为进行了计算模拟.结果表明:该晶体塑性本构模型能"统一地"刻画镍基高温合金在不同温度、不同方向下的多种变形行为,并与实验结果具有良好的一致性.     

表面微空洞长大和相互作用的晶体有限元分析

通过建立空洞长大和相互作用的3D模型,采用晶体塑性有限元模拟研究了FCC晶体表面空洞的长大和相互作用行为,分析了晶体取向和微空洞在表面的深度变化对表面空洞长大和相互作用的影响.模拟结果表明:晶体取向除了影响空洞形状和长大方向外,还会影响空洞长大速度;总体而言,在固定位移边界条件下硬取向晶粒表面的空洞长大和相互作用大于软取向.随着空洞在单晶体表面深度的增加,空洞周围的最大塑性变形增加,变形局部化更加严重,空洞长大速度增加.     

各向异性晶体滑移有限元程序及其应用

本文全面介绍了各向异性晶体滑移结构强度和蠕变分析有限元程序的原理、功能特点及其在镍基单晶涡轮叶片中的应用实例。     

基于晶体塑性理论的孔洞生长行为研究

采用率相关晶体塑性模型,建立三维胞元计算模型,研究了晶粒取向和晶界对孔洞生长和聚合的影响.比较了不同晶粒取向的单晶和双晶体中孔洞的生长趋势,发现晶粒取向对孔洞生长方向,孔洞形状等有着显著的影响.     

含冷却孔镍基合金次级取向效应的应变梯度晶体塑性有限元研究

单晶镍基合金具有优异的耐高温、高强、高韧等性能, 这些力学性能受制造过程引入的次级取向和冷却孔的影响. 已有研究大多关注单孔薄板的变形机理和力学性能, 而工程中应用的往往是多孔薄板, 当前亟需阐明多孔的塑性滑移带变形机理、次级取向效应以及冷却孔引起的应变梯度效应. 文章采用基于位错机制的非局部晶体塑性本构模型对含冷却孔镍基单晶薄板的单拉变形进行了数值模拟. 此模型基于塑性滑移梯度与几何必需位错的关系引入了位错流动项, 因此可有效刻画非均匀变形过程中的应变梯度效应. 为了全面揭示含孔镍基薄板的次级取向效应, 系统研究了[100]和[110]取向(两种次级取向)下镍基薄板的单拉变形行为, 并重点探究了在两种次级取向下冷却孔数量对薄板塑性行为的影响. 此外, 还分析了镍基合金板变形过程中各个滑移系上分切应力变化、主导滑移系开动以及几何必需位错密度的演化过程, 并讨论了塑性滑移量及其分布特征对不同次级取向镍基合金板强度的影响. 研究表明, 单孔和多孔的[110]薄板抗拉强度均低于[100]薄板, 多孔薄板的塑性变形过程比单孔薄板更为复杂且受次级取向影响更大, 并且发生滑移梯度位置主要位于冷却孔附近以及塑性滑移带区域. 研究结果可为工程中镍基合金的设计和服役提供理论指导.      

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     

有限塑性应变与应变率及其在晶体塑性中的表示

首先对变形梯度的塑性乘积分解的唯一性问题进行了分析,结果表明在放松了的或中间构形上所定义的应变对应着唯一的乘积分解,即Ｌｅｅ分解,尔后分析研究了该类型的应变及应变率,建立了客观塑性变率与变形率之间的关系,最后在不同构形中给出了塑性应变在晶体塑性中的表示,建立了塑性滑移率与应变及应变率之间的关系。     

梯度塑性的有限元分析及应变局部化模拟

对梯度塑性连续体提出了一个有限元方法．内状态变量的Ｌａｐｌａｃｉａｎ的确定基于它在求积点邻域的最小二乘方多项式近似．具体地考虑了具有一点求积和Ｈｏｕｒｇｌａｓｓ控制特点的基于胡海昌－Ｗａｓｈｉｚｕ变分原理的混合应变元和单元平均意义下的ｖｏｎ－Ｍｉｓｅｓ屈服准则．解析地导出了梯度塑性下一致性单元切线刚度矩阵和速率本构方程的一致性积分算法．在所建议的非局部化途径中求积点的一致性条件在非局部化意义下逐点精确满足．数值例题表明所提出的非经典连续体的有限元方法求解应变局部化问题的有效性     

延性单晶非均匀变形的三维有限元模拟

对延性单晶在拉伸载荷作用下的应变局域化和颈缩等非均匀变形过程进行了三维有限元数值模拟。将相关晶体塑性本构模型及一种新的数值积分方法补充到ABAQUS6.1商用有限元软件中。该方法的特点是，利用晶体塑性的动力学方程，获得一个关于晶体弹性变形梯度的演化方程，采用半隐式积分方案进行求解。本文推导出一种新的应力变本构矩阵。按此方式更新本构矩阵，计算速度和计算稳定性大大提高。加载方式，边界条件和变形程度等因素影响着滑移系的启动状况，这是平面模型所不能预测的。本文利用三维有限元方法模拟了不同取向下滑移系的启动状况，全面地考虑了FCC单晶材料12个可能滑移系在变形过程中的启动状况，合理地模拟了FCC面心立方单晶沿不同取向加载时晶轴旋转导致的应变局域化和颈缩等非均匀变形过程。     

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.     

A numerical modelling of 3D polycrystal-to-polycrystal diffusive phase transformations involving crystal plasticity

A FE modelling of the elastoplastic interactions occurring within a 3D polycrystal subjected to diffusive phase transformation is proposed. The parent polycrystal is represented by a Voronoi tessellation, where grains differ in shape, size and crystallographic orientation. Grains of the new phase nucleate at favourable sites of the parent polycrystal then grow isotropically, following specific kinetics. This process can result in various product polycrystal morphologies where grains are distinguished by their morphologies and their crystallographic orientations, and have crystalline properties different from those of the parent grains. Application is performed on the austenite-to-ferrite transformation of a low carbon steel, by analysing different basic cases of transformation history with different constitutive modellings. Microplasticity and its related internal stresses are shown to develop during the phase transformations and to affect significantly the elastoplasticity of the product medium.     

基于实体造型的三维有限元网格自动剖分

本文叙述了用八叉树法对三维实体进行有限元网格自动剖分算法的设计和实现。本文的算法对传统的八叉树法进行了一系列的改进，包括新型数据结构的建立，对八叉树结点属性判断算法的改进，边界结点体处理方法的改进等。使得本文的算法既保持了传统算法中自动化程度高、层次结构分明、适于再进行网格加密等特点，又克服了其所需存贮空间大、执行速度慢、边界处理复杂、边界单元形状质量不好等缺点，使算法的实现取得了令人满意的结果     

An interfacial energy incorporated couple stress crystal plasticity and the finite element simulation of grain subdivision

A couple stress crystal plasticity formulation that incorporates interfacial couple stress energy was proposed in terms of the virtual work-rate principle for finite element method. By applying the assumed constitutive models of couple stress at the grain boundary as well as the grain interior, finite element simulations were conducted for various crystal models, with different grain subdivision models to examine how plastic deformation work is affected by grain subdivision from the interfacial couple stress energy effect.Finite element simulation results showed that the amount of predicted plastic deformation work depends on grain subdivision, and that the amount of work can be minimized for a particular grain subdivision. We inferred from the simulation results that actual grain subdivision might correspond to the minimum amount of plastic deformation work and, if this correlation is validated, actual grain subdivision might be predicted based on the interfacial energy incorporated couple stress crystal plasticity.     

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。     

3D finite element modeling for instabilities in thin films on soft substrates

Spatial pattern formation in stiff thin films on compliant substrates is investigated based on a nonlinear 3D finite element model. Typical post-bifurcation patterns include 1D sinusoidal, checkerboard and herringbone shapes, with possible spatial modulations, boundary effects and localizations. The post-buckling behavior often leads to intricate response curves with several secondary bifurcations that were rarely studied and only in the case of periodic cells. The proposed finite element procedure allows accurately describing these bifurcation portraits by taking into account the effect of boundary conditions. It relies on the Asymptotic Numerical Method (ANM) that offers considerable advantages to get a robust path-following technique and to detect multiple bifurcations. The occurrence and evolution of sinusoidal, checkerboard and herringbone patterns will be highlighted.     

A homogenization theory of strain gradient single crystal plasticity and its finite element discretization

In this study, a homogenization theory based on the Gurtin strain gradient formulation and its finite element discretization are developed for investigating the size effects on macroscopic responses of periodic materials. To derive the homogenization equations consisting of the relation of macroscopic stress, the weak form of stress balance, and the weak form of microforce balance, the Y-periodicity is used as additional, as well as standard, boundary conditions at the boundary of a unit cell. Then, by applying a tangent modulus method, a set of finite element equations is obtained from the homogenization equations. The computational stability and efficiency of this finite element discretization are verified by analyzing a model composite. Furthermore, a model polycrystal is analyzed for investigating the grain size dependence of polycrystal plasticity. In this analysis, the micro-clamped, micro-free, and defect-free conditions are considered as the additional boundary conditions at grain boundaries, and their effects are discussed.     

Evaluation of finite element based analysis of 3D multicrystalline aggregates plasticity: Application to crystal plasticity model identification and the study of stress and strain fields near grain boundaries

Plastic heterogeneities of hexagonal close-packed (HCP) materials are numerically investigated at the grain level. Intensive use of parallel Finite Elements computations enables us to study micro-plasticity of realistic 3D multicrystalline aggregates, including, macroscopic mechanical responses but also average responses in each grain and particularly local stress and strain fields. This paper focuses on three applications of this simulation method. The first part of this paper is devoted to a fine analysis of micro-plasticity of HCP materials. Intergranular but also intragranular stress and strain heterogeneities are described and micro-plasticity patterns are displayed throughout the 3D microstructures. A special attention is paid to the sensitivity of simulations with respect to the mesh discretization, the element interpolation and the geometrical representation of grain boundaries, in terms of macroscopic and local responses. Later, a simplified homogenization method is evaluated, regarding results of the first part. Afterwards, this method is applied with a zirconium alloy to identify a set of coefficients for a single crystal plasticity model. Finally, in order to provide critical information for intergranular damage phenomena (reported in literature for zirconium alloys), the third part provides a statistical analysis of over-stresses at grain boundaries.     

Assessment of plastic heterogeneity in grain interaction models using crystal plasticity finite element method

Micromechanical models aimed at simulating deformation textures and resulting plastic anisotropy need to incorporate local plastic strain heterogeneities arising from grain interactions for better predictions. The ALAMEL model [Van Houtte, P., Li, S., Seefeldt, M., Delannay, L. 2005. Deformation texture prediction: from the Taylor model to the advanced Lamel model. Int. J. Plasticity 21, 589–624], is one of the models in which the heterogeneous nature of plastic deformation in metals is introduced by accounting for the influence of a grain boundary on the cooperative deformation of adjacent grains. This is achieved by assuming that neighbouring grains undergo heterogeneous shear rates parallel to the grain boundary. The present article focuses on understanding the plastic deformation fields near the grain boundaries and the influence of grain interaction on intra-grain deformations. Crystal Plasticity Finite Element Method (CPFEM) is employed on a periodic unit cell consisting of four grains discretised into a large number of elements. A refined study of the local variation of strain rates, both along and perpendicular to the grain boundaries permits an assessment of the assumptions made in the ALAMEL model. It is shown that the ALAMEL model imbibes the nature of plastic deformation at the grain boundaries very well. However, near triple junctions, the influence of a third grain induces severe oscillations of the stress tensor, reflecting a singularity. According to CPFEM, such singularity can lead to grain subdivision by the formation of new boundaries originating at the triple junction.