单晶Ⅰ型弹塑性开裂取向效应的离散位错动力学-近场动力学研究

本文采用基于近场动力学框架的位错动力学叠加模型对FCC单晶在四种不同取向下的I型弹塑性开裂行为进行模拟研究.在模型中,无需预设裂纹扩展路径和内聚力区域,裂纹扩展路径由位错与裂纹的相互作用自动确定.数值计算了FCC单晶体在不同取向时的位错分布演化和裂纹扩展路径.分析表明取向会影响韧性和断裂行为,并证实了单晶体的单轴拉伸开裂行为遵循施密特因子关系,即位错更倾向于在施密特因子大的滑移面上形核并滑移.计算得到位错裂纹演化结果显示,不同取向时位错在滑移系上的分布和演化行为会导致不同晶体断裂模式.     

bcc-Fe刃型位错偶极子的动力学过程模拟

用分子动力学方法模拟了bcc单晶铁中滑移面为(011)晶面、柏氏矢量b-=±[100]的刃型位错偶极子吸引至湮灭的动力学过程.模拟结果显示:沿[100]晶向滑移的正刃型位错穿越Peierls势垒的方式为滑移面上方芯原子沿[111]晶向滑移,滑移面下方芯原子沿[111]晶向滑移;芯原子滑移方向分别偏转为[111]和[111]晶向,同时芯能量以格波形式释放.统计了位错运动速度和Peierls势垒随时间或两位错距离的变化.     

位错热激活滑移的数值模拟

在三维离散位错动力学模型中,用Langevin力描述温度对位错的影响作用,模拟了位错克服晶格Peierls应力与阻尼应力的滑移过程.模拟结果表明,位错克服Peierls应力的热激活效应随温度的升高而增大,随应变率的增高而减小.利用热激活本构模型描述了位错热激活滑移过程,拟合了Peierls应力的激活能,结果表明含温度的离散位错动力学模型能较正确地模拟位错的热激活滑移过程.但Peierls阻碍的非离散化处理使激活能与指前因子均随温度升高而增大,这表明离散位错动力学模型模拟Peierls阻碍存在不足之处,其本质原因是介观级的位错动力学模型目前还无法正确模拟微观级的位错芯性质.     

颗粒振动分离的浮力计算折减修正法及数值模拟

颗粒材料在振动或流动情况下的分离行为如巴西果效应已经广为人知,为了解释这种分离行为已提出了渗透、对流、凝聚等一系列解释机制,但是尚未达成共识.本文研究颗粒上浮时所受的浮力,发现已有的大颗粒浮力计算方法无法解释大颗粒粒径改变时上浮行为不同这一典型现象.为此引入粒径比对已有的大颗粒浮力计算方法进行了修正,并证明了其合理性.此外,还研究了局部阻尼系数、振幅、颗粒密度对压强分布的影响.结果表明:所建议的修正办法能正确地计算不同粒径比下大颗粒受到的浮力;随着局部阻尼系数的增大,压强最大值增大,压强曲线下降趋势由直线变为曲线;随着颗粒密度的增大,压强最大值增大,但压强曲线下降趋势变化并不明显;随着加载振幅的增大,压强最大值与下降趋势变化均不明显.     

FCC金属塑性屈服的尺度效应和应变率响应

对纳米尺度单晶铜的剪切变形进行了分子动力学（MD）模拟．模拟结果表明,单晶铜的剪切屈服应力随模型几何尺度的增大而降低,而随着应变率的增大而升高．基于位错形核理论,建立了一个修正的指数法则来描述面心立方（FCC）金属的尺度效应,该法则与较大尺度范围内（从纳米到毫米以上）的数值模拟结果以及实验数据都符合得比较好．另外,MD模拟中发现单晶铜存在一个临界应变率,当施加的应变率小于该值,剪切屈服应力几乎不随应变率变化而变化;当大于该值,剪切屈服应力会随着应变率的增加迅速升高．最后根据模拟的结果建立了单晶铜和单晶镍塑性屈服强度的应变率响应模型．     

单晶易滑移阶段位错结构形成的动力学分析

提出了偶极子的保守攀移机制,并建立了一个新的单滑移位错动力学模型,应用该模型揭示了单晶硬化Ⅰ阶段（易滑移阶段）一种平面列阵结构———地毯（ｃａｒｐｅｔｓ）结构的形成,与实验吻合．该模型的特点是计及了偶极子的滑移和攀移机制;正、负可动位错的滑移、攀移、交滑移引起的位错线的三维运动以及位错的增殖和反应．线性稳定性分析和非线性分叉分析表明：位错花样（ｐａｔ ｔｅｒｎ）的形成是初始统计均匀分布位错系统在外力驱使下远离平衡态后产生动力学失稳形成的一种稳定结构．研究还揭示了地毯结构形成导致宏观硬化减少,易滑移阶段出现的本质．     

超晶格的位错模型与系统的动力学稳定性

在经典力学框架内和Seeger方程基础上,讨论了超晶格界面附近的位错动力学行为,指出了由于系统的分叉或混沌将导致位错的运动与堆积,造成了超晶格的分层或断裂;同时,也指出了,将生长过程中的超晶格置于适当的声场中将应力减至最小,或者适当调节系统参数就可最大限度的保证系统的动力学稳定性.首先,引入阻尼项,把描述一般位错运动的Seeger方程化为了超晶格系统的广义摆方程.利用Jacobian椭圆函数和椭圆积分分析了无扰动系统的相平面特征,并解析地给出了系统的解和粒子振动周期.其次,利用Melnikov方法分析了系统相平面上三类轨道的分叉性质和进入Smale马蹄意义下的混沌行为,找到了系统的全局分叉与系统进入混沌的临界条件.结果表明,系统的临界条件与它的物理参数有关,只需适当调节这些参数就可以原则上避免、控制分叉或混沌的出现,进一步保证生长过程的稳定性和超晶格材料的完整性.     

用于模拟颗粒增强复合材料破坏过程的梁—颗粒细观模型的实验验证

本文的主要目的是验证梁－颗粒细观模型在模拟混凝土和砂岩类颗粒增强复合材料连续破坏过程的有效性,文中首先介绍了梁－颗粒细数值模型的基本原理,然后给出了由细钢丝粘结成的正方体试验的单轴抗压实验结果,最后用梁－颗粒细观模型对物理实验进行了数值模拟,研究结果表明,物理实验和数值模拟所得到的试件破坏模式和荷载－位移曲线,两者基本一致,从而初步证明了梁－颗粒细观数值模型及模拟颗粒增强复合材料破坏过程,以及解释     

颗粒增强复合材料的界面开裂与尺度效应

采用基于Huang等提出的塑性应变梯度传统理论发展的有限元方法,模拟了颗粒增强金属基复合材料的界面开裂与颗粒尺度效应.分别针对考虑颗粒与基体间界面开裂和不开裂两种情况进行分析,并将考虑界面开裂的模拟结果与实验结果进行比较,证明了模型的有效性,同时也获得应变梯度理论中所包含的材料特征尺度参量的取值.     

空心颗粒填充复合材料弹塑性力学行为模拟

空心玻璃微珠(Hollow Glass Microballon,简称HGM)填充树脂基复合材料称为复合泡沫材料,近来已被广泛应用在工业中.利用RSA(Random Sequential Adsorption)方法生成了含不同体积比的HGMs填充代表体元模型,然后用有限元方法计算得出了材料的应力-应变关系,将材料属性简化为双线性随动强化模型,分析了HGM填充比、壁厚对材料的有效弹性常数、屈服极限的影响,并分析了材料内部细观应力场和塑性应变分布情况.结果发现,HGM壁厚比对材料有效弹性模量和屈服极限的增减起着决定性作用,而对于任意填充模式来说,材料的比模量和比强度总是大于纯树脂,这一点体现了该材料轻质的优良特性.材料基体的应力集中部位分布以及塑性应变区域的分布也取决于HGM的壁厚比.     

CYCLIC HARDENING BEHAVIOR OF POLYCRYSTALS WITH PENETRABLE GRAIN BOUNDARIES： TWO-DIMENSIONAL DISCRETE DISLOCATION DYNAMICS SIMULATION

A two-dimensional discrete dislocation dynamics （DDD） technology by Giessen and Needleman （1995）, which has been extended by integrating a dislocation-grain boundary interaction model, is used to computationally analyze the micro-cyclic plastic response of polycrystals containing micron-sized grains, with special attentions to significant influence of dislocationpenetrable grain boundaries （GBs） on the micro-plastic cyclic responses of polycrystals and underlying dislocation mechanism. Toward this end, a typical polycrystalline rectangular specimen under simple tension-compression loading is considered. Results show that, with the increase of cycle accumulative strain, continual dislocation accumulation and enhanced dislocation-dislocation interactions induce the cyclic hardening behavior; however, when a dynamic balance among dislocation nucleation, penetration through GB and dislocation annihilation is approximately established, cyclic stress gradually tends to saturate. In addition, other factors, including the grain size, cyclic strain amplitude and its history, also have considerable influences on the cyclic hardening and saturation.     

THE DISLOCATION EQUATIONS OF A SIMPLE CUBIC CRYSTAL IN THE ISOTROPIC APPROXIMATION—A SOLVABLE MODEL

The dislocation equations of a simple cubic lattice have been obtained by using Green's function method based on the discrete lattice theory with the coefficients of the secondorder differential terms ...     

Face-Centered and Volume-Centered Discrete Analogs of the Exterior Differential Equations Governing Porous Medium Flow II: Examples

This paper exemplifies discrete analogs obtained by transformation of the continuum equations governing porous media flow to a system of algebraic equations. To give insight in the underlying physics, the numerical examples are worked out algebraically. The volume-centered approximation turns out to be a reasonable simplification of the algebraically exact face-centered method.     

On the Equation of Motion and the Near-Field of a Nonuniformly Moving Dislocation

The O(1) terms in the near field asymptotic expansion of the radiated field from a nonuniformly moving dislocation are obtained by a singular asymptotic expansion. These terms enter the equation of motion of the dislocation and have not been given explicitly by Eshelby (1953). They depend on an integral over the history of the motion which physically represents the reaction of the motion to the radiation the dislocation has already emitted during its path.     

Face-Centered and Volume-Centered Discrete Analogs of the Exterior Differential Equations Governing Porous Medium Flow I: Theory

This paper presents a physics-oriented approach to approximate the continuum equations governing porous media flow by discrete analogs. To that end, the continuity equation and Darcys law are reformulated using exterior differential forms. This way the derivation of a system of algebraic equations (the discrete analog) on a finite-volume mesh can be accomplished by simple and elegant translation rules. In the discrete analog the information about the conductivities of the porous medium and the metric of the mesh are represented in one matrix: the discrete dual. The discrete dual of the block-centered finite difference method is presented first. Since this method has limited applicability with respect to anisotropy and non-rectangular grid blocks, the finite element dual is introduced as an alternative. Application of a domain decomposition technique yields the face-centered finite element method. Since calculations based on pressures in volume centers are sometimes preferable, a volume-centered approximation of the face-centered approximation is presented too.     

亚微米尺度晶体反常规塑性行为的离散位错研究进展

近十年来, 随着实验技术的发展, 人们对亚微米尺度晶体材料塑性行为的研究和认识不断深入, 实验观测到许多由离散位错主导的新的应力!--!应变现象, 它们是基于宏观尺度的经典塑性理论和基于微米尺度的应变梯度塑性理论所无法阐释的. 研究者们试图寻求新的理论模型和计算方法, 提出了考虑位错近程相互作用由背应力主导的缺陷能理论和以离散位错动力学为代表的亚微米尺度晶体塑性计算方法, 旨在描述位错形核、增殖、匮乏和湮灭, 揭示该尺度下塑性流动的机理. 本文从实验观测数据、理论分析模型、离散位错动力学及其与之耦合的连续介质力学计算方法等方面, 综述了亚微米尺度晶体反常规塑性行为的离散位错研究进展.      

MOVING SCREW DISLOCATION IN CUBIC QUASICRYSTAL

The elasticity theory of the dislocation of cubic quasicrystals is developed. The governing equations of anti-plane elasticity dynamics problem of the quasicrystals were reduced to a solution of wave equations by introducing displacement functions, and the analytical expressions of displacements, stresses and energies induced by a moving screw dislocation in the cubic quasicrystalline and the velocity limit of the dislocation were obtained. These provide important information for studying the plastic deformation of the new solid material.     

Discrete dislocation dynamics modelling of mechanical deformation of nickel-based single crystal superalloys

Discrete dislocation dynamics (DDD) has been used to model the deformation of nickel-based single crystal superalloys with a high volume fraction of precipitates at high temperature. A representative volume cell (RVC), comprising of both the precipitate and the matrix phase, was employed in the simulation where a periodic boundary condition was applied. The dislocation Frank-Read sources were randomly assigned with an initial density on the 12 octahedral slip systems in the matrix channel. Precipitate shearing by superdislocations was modelled using a back force model, and the coherency stress was considered by applying an initial internal stress field. Strain-controlled loading was applied to the RVC in the [0 0 1] direction. In addition to dislocation structure and density evolution, global stress-strain responses were also modelled considering the influence of precipitate shearing, precipitate morphology, internal microstructure scale (channel width and precipitate size) and coherency stress. A three-stage stress-strain response observed in the experiments was modelled when precipitate shearing by superdislocations was considered. The polarised dislocation structure deposited on the precipitate/matrix interface was found to be the dominant strain hardening mechanism. Internal microstructure size, precipitate shape and arrangement can significantly affect the deformation of the single crystal superalloy by changing the constraint effect and dislocation mobility. The coherency stress field has a negligible influence on the stress-strain response, at least for cuboidal precipitates considered in the simulation. Preliminary work was also carried out to simulate the cyclic deformation in a single crystal Ni-based superalloy using the DDD model, although no cyclic hardening or softening was captured due to the lack of precipitate shearing and dislocation cross slip for the applied strain considered.     

球形闭孔泡沫金属材料力学行为研究

利用面心立方单元胞模型计算了球形闭孔泡沫金属材料的宏观弹塑性特性,建立了弹性参数和屈服强度与相对密度的关系,所得结果与球形(类球形)闭孔泡沫铝合金试验结果进行了比较,二者吻合较好.此外,利用所建立的单元胞模型计算了等比例多轴载荷下的应力-应变曲线,针对现有的泡沫金属材料弹塑性宏观唯象本构框架,得到了球形孔闭孔泡沫金属材料在不同特征应变下应力势函数曲面及其演化规律,确定了其宏观本构理论模型的材料参数.结果表明,该理论模型能较好模拟有限元数值计算结果.