氢离子辐照纯钒中形成的位错环

钒合金作为聚变堆候选材料, 其辐照损伤行为一直是关注的重点. 研究辐照时形成的位错环的性质, 其意义在于揭示纯钒中辐照空洞的长大机理. 这种机理表现为不同类型位错环对点缺陷吸收的偏压不同, 从而影响金属的辐照肿胀. 本文利用加速器对纯钒薄膜样品进行氢离子辐照, 然后, 利用透射电镜的inside-outside方法分析氢离子辐照所形成的位错环的类型. 结果表明, 在氢离子辐照纯钒中没有发现柏氏矢量b=<110>的位错环, 只有柏氏矢量b=1/2<111>和b=<110>的位错环, 这两种位错环的惯性面处于{110}-{112}之间. 能确定性质的位错环全部为间隙型位错环, 未发现空位型位错环.     

bcc Fe的刃型位错中氦-空位团的稳定性

 采用周期性原子阵列方法建立bcc Fe中的刃型位错,利用分子动力学计算了0 K时bcc Fe的位错芯里氦-空位团的稳定性,并与理想Fe晶体里氦-空位团的稳定性进行比较发现,位错的作用导致氦-空位团不稳定。点缺陷（He、空位与自间隙Fe原子）与氦-空位团的结合能与团中氦-空位比例密切相关,当氦与空位数之比在3~6时,结合能趋于稳定。     

利用透射电镜衬度像变化判定位错环类型及注氢纯铁中形成的位错环分析

本文分两部分,第一部分研究了利用透射电镜衬度像变化判定材料中位错环类型的方法,即采用所谓inside-outside方法来判断位错环为空位型位错环或间隙型位错环. 第二部分讨论了加速器注氢纯铁在673—773 K时效后形成的位错环的类型. 关键词： 透射电镜 空位型位错环 间隙型位错环 氢     

剪切应变下刃型位错的滑移机理的晶体相场模拟

针对刃型位错的滑移运动, 构建包含外力场与晶格原子密度耦合作用的体系自由能密度函数, 建立剪切应变作用体系的晶体相场模型. 模拟了双相双晶体系的位错攀移和滑移运动, 计算了位错滑移的Peierls势垒和滑移速度. 结果表明: 施加较大的剪切应变率作用, 体系能量变化为单调光滑曲线, 位错以恒定速度做连续运动, 具有刚性运动特征; 剪切应变率较小时, 体系能量变化出现周期波动特征, 位错运动是处于低速不连续运动状态, 运动出现周期“颠簸”式滑移运动, 具有黏滞运动特征; 位错启动运动, 存在临界的势垒. 位错启动攀移运动的Peierls势垒要比启动滑移Peierls势垒大几倍. 位错攀移和滑移运动特征与实验结果相符合.     

注氢铁基二元合金中辐照位错环演化及退火温度影响研究

本文基于注氢纯铁和铁基二元合金(Fe-3%Cr、Fe-1.4%Ni和Fe-1.4%Mn,质量分数)开展常规透射电镜(200 kV)的原位表征观察,揭示了材料中辐照位错环的形态、尺寸演化行为及退火温度影响,并依据辐照损伤演化理论、退火过程中位错环平均尺寸变化推断得到空位型位错环形成温度的范围.注氢纯铁中空位型位错环的形成温度(T_c)约为500℃;添加Ni可使T_c降低至～450℃,添加Cr可使T_c升高至600℃以上,而Mn的作用与Cr相似,亦可使T_c升高.注氘实验和热脱附谱分析进一步表明,纯铁和铁基二元合金中空位型位错环的形成温度受氢同位素与空位结合、释放过程影响.合金元素Ni对氢同位素与空位的结合、释放有促进作用,故导致T_c降低;而Cr和Mn均对氢同位素与空位的结合、释放产生抑制作用,故导致T_c升高.本文展示的有关合金元素对空位型位错环形成温度影响的研究将有助于更深刻理解铁基合金体系中损伤结构演化和辐照肿胀产生机理.     

从铝合金的应变时效内耗考察位错与点缺陷的交互作用

研究了合金含量、合金元素和形变条件对铝合金应变时效内耗行为的影响．由此描述了点缺陷的分布状态和位错组态；指出了控制应变时效回复过程的因素是溶质原子的动性和溶质原子与位错的作用能。提出了能描述应变时效过程中位错─—点缺陷交互作用的位错弦脱钉和位错气团拖曳共同作用的复合模型，相应的理论处理合理地解释了实验现象。 关键词：     

表面效应对铁<100>间隙型位错环的影响

在材料辐照损伤过程中,间隙型位错环的形成及动力学行为严重影响材料在辐照条件下的服役行为.在常用的以体心立方铁为基的合金材料中,1/2<111>和<100>是两种主要的位错环,其对辐照损伤的影响一直都是核材料领域研究的热点之一.在之前的研究中,人们对{111}面与单个1/2<111>位错环的相互作用进行了深入研究,发现表面对位错环性质确实有重要的影响.采用分子动力学方法,在原子尺度详细研究了另一个重要的表面铁{100}面对<100>间隙型位错环动力学过程的影响.模拟发现位错环伯格斯矢量与表面法线方向的关系、距表面的深度、位错环之间的相互作用以及温度等,都对位错环与表面的相互作用产生重要影响,其中,表面作用下的伯格斯矢量的演化以及<100>位错环在此过程中的一维运动首次被发现.基于这些模拟结果,就<100>位错环对表面辐照损伤结构的影响进行详细地研究,给出<100>位错环对表面凹凸结构的贡献,这些结果为理解辐照过程中材料表面的演化提供一种可能的解释.     

应变诱发四方相小角度对称倾侧晶界位错反应的晶体相场模拟

采用晶体相场法研究了外加应变作用下,不同取向差的四方相对称倾侧小角度晶界的位错运动与反应及反应过程中的位错组态,通过采用几何相位法对位错周围应变场进行了表征.结果表明,凝固弛豫达到稳态后,晶界两侧位错平行且方向相反,随晶界两侧晶粒取向差增大,位错数目增加,距离减小,且体系自由能增加.在外加应变作用下,晶界位错经历攀移、发射、反应湮灭等阶段,体系自由能呈现波动.当取向差增大时,位错运动方式由攀移向攀滑移转变,产生更多类型的位错组构型,并发生相应的位错与位错组之间的反应.对于不同构型的位错反应,正切应变驱动位错靠近,负切应变驱动位错湮灭.     

基于连续介质位错理论的位错原子分布构造方法

基于连续介质位错理论提出一种新的位错原子分布构造方式,理论上可以构造出任意形状和任意Burgers矢量的位错结构.利用该方法,选用FCC单晶铜为模拟介质,构造Burgers矢量为b=[110]/2的刃型全位错和Burgers矢量为b=[112]/6圆环形不完全位错环,并使用分子动力学方法模拟全位错的扩展分解过程和不全位错环在自应力作用下的收缩过程,模拟结果与理论分析一致.该方法的优点在于可以方便地构造出其他传统方法难以构造的位错闭合结构——位错环,从而使位错环的细致研究成为可能.     

温度对位错滑移运动影响的晶体相场模拟

在原有的晶体相场模型的自由能密度函数基础上,引入外力场与体系原子密度场耦合作用项,能够对样品施加剪切应变作用,实现位错的滑移运动。研究不同温度情况下的位错滑移特性。研究发现,位错的启动,存在一个临界温度,当温度高于临界温度时,外加一定的应变率才能启动位错运动。较低的体系温度有利于刃型位错的滑移。随着体系温度升高,刃型位错水平滑移速度变慢,而垂直方向的攀移运动明显增加。在高温情况下攀移已成为位错运动的主要形式。     

Introducing dislocation climb by bulk diffusion in discrete dislocation dynamics

We report a method to incorporate dislocation climb controlled by bulk diffusion in a three-dimensional discrete dislocation dynamics (DDD) simulation for fcc metals. In this model we couple the vacancy diffusion theory to the DDD in order to obtain the climb rate of the dislocation segments. The capability of the model to reproduce the motion of climbing dislocations is examined by calculating several test-cases of pure climb-related phenomena and comparing the results with existing analytical predictions and experimental observations. As test-cases, the DDD is used to study the activation of Bardeen–Herring sources upon the application of an external stress or under vacancy supersaturation. Loop shrinkage and expansion due to vacancy emission or absorption is shown to be well described by our model. In particular, the model naturally describes the coarsening of a population of loops having different sizes.     

Dislocation dynamics simulations with climb: kinetics of dislocation loop coarsening controlled by bulk diffusion

Dislocation climb mobilities, assuming vacancy bulk diffusion, are derived and implemented in dislocation dynamics simulations to study the coarsening of vacancy prismatic loops in fcc metals. When loops cannot glide, comparison of the simulations with a coarsening model based on the line tension approximation shows good agreement. Dislocation dynamics simulations with both glide and climb are then performed. Allowing for glide of the loops along their prismatic cylinders leads to faster coarsening kinetics, as direct coalescence of the loops is now possible.     

Climb via vacancy diffusion of edge dislocations in 2D dislocation microstructures

The prevention of strength degradation of components is one of the great challenges in solid mechanics. In particular, at high temperatures material may deform even at low stresses, a deformation mode known as deformation creep. One of the microstructural mechanisms that governs deformation creep is dislocation motion due to the absorption or emission of vacancies, which results in motion perpendicular to the glide plane, called dislocation climb. However, the importance of the dislocation network for the deformation creep remains far from being understood. In this study, a climb model that accounts for the dislocation network is developed, by solving the diffusion equation for vacancies in a region with a general dislocation distribution. The definition of the sink strength is extended, to account for the contributions of neighbouring dislocations to the climb rate. The model is then applied to dislocation dipoles and dislocation pile-ups, which are dense dislocation structures and it is found that the sink strength of dislocations in a pile-up is reduced since the vacancy field is distributed between the dislocations. Finally, the importance of the results for modelling deformation creep is discussed.     

Degradation of DH lasers caused by growth of dislocation networks

The features of the process of rapid degradation of (GaAl) As-GaAs DH lasers are discussed. The existing models for dislocation networks growth during the device operation are critically analysed. A new approach to the mechanism of degradation is proposed according to which the dislocation dipoles in the active layer of the device develop by conservative climb due to the pipe diffusion along helical dislocations.     

Dislocation slip behaviors in high-quality bulk GaN investigated by nanoindentation

The dislocation slip behaviors in GaN bulk crystal are investigated by nanoindentation, the dislocation distribution patterns formed around an impress are observed by cathodoluminescence (CL) and cross-sectional transmission electron microscope (TEM). Dislocation loops, vacancy luminescence, and cross-slips show hexagonal symmetry around the <11-20> and <1-100> direction on c-plane. It is found that the slip planes of dislocation in GaN crystal are dominated in {0001} basal plane and {10-11} pyramid plane. According to the dislocation intersection theory, we come up with the dislocation formation process and the related mechanisms are discussed.     

Surface stress mediated image force and torque on an edge dislocation

The proximity of interfaces gives prominence to image forces experienced by dislocations. The presence of surface stress alters the traction-free boundary conditions existing on free-surfaces and hence is expected to alter the magnitude of the image force. In the current work, using a combined simulation of surface stress and an edge dislocation in a semi-infinite body, we evaluate the configurational effects on the system. We demonstrate that if the extra half-plane of the edge dislocation is parallel to the surface, the image force (glide) is not altered due to surface stress; however, the dislocation experiences a torque. The surface stress breaks the ‘climb image force’ symmetry, thus leading to non-equivalence between positive and negative climb. We discover an equilibrium position for the edge dislocation in the positive ‘climb geometry’, arising due to a competition between the interaction of the dislocation stress fields with the surface stress and the image dislocation. Torque in the climb configuration is not affected by surface stress (remains zero). Surface stress is computed using a recently developed two-scale model based on Shuttleworth’s idea and image forces using a finite element model developed earlier. The effect of surface stress on the image force and torque experienced by the dislocation monopole is analysed using illustrative 3D models.     

Enhanced ductile behavior of tensile-elongated individual double-walled and triple-walled carbon nanotubes at high temperatures

We report exceptional ductile behavior in individual double-walled and triple-walled carbon nanotubes at temperatures above 2000 degrees C, with tensile elongation of 190% and diameter reduction of 90%, during in situ tensile-loading experiments conducted inside a high-resolution transmission electron microscope. Concurrent atomic-scale microstructure observations reveal that the superelongation is attributed to a high temperature creep deformation mechanism mediated by atom or vacancy diffusion, dislocation climb, and kink motion at high temperatures. The superelongation in double-walled and triple-walled carbon nanotubes, the creep deformation mechanism, and dislocation climb in carbon nanotubes are reported here for the first time.     

位错环与点阵空位间的弹性相互作用

本文分析了点阵空位的弹性模型,给出点阵空位与任意内应力系统的相互作用能量普遍表达式。作为一个物理上有意义的例子,推导了棱柱位错环与点阵空位弹性相互作用能量的具体表达式。给出了关于铝中位错环的数值结果,并对结果进行了讨论。     

氦、氘对纯铁辐照缺陷的影响

在核聚变堆的辐照环境中, 核嬗变产物氢、氦对结构材料的抗辐照性能将产生很大的影响. 本实验采用离子注入和电子辐照模拟研究了氦和氘对具有体心立方结构的纯铁的影响. 采用离子加速器在室温分别对纯铁注入氦离子和氘离子, 经500℃时效1 h后在高压电镜下进行电子辐照.结果表明: 室温注氦和室温注氘的纯铁在500℃时效后分别形成间隙型位错环和空位型位错环. 在电子辐照下, 间隙型位错环吸收间隙原子而不断长大, 而空位型位错环吸收间隙原子不断缩小. 通过计算位错环的变化速率发现, 空位型位错环比间隙型位错环吸收了更多的间隙原子, 即室温注氘纯铁的位错偏压比室温注氦纯铁的偏压参量大, 这意味着相同实验条件下空位型位错环对辐照肿胀的贡献大于间隙型位错环对辐照肿胀的贡献. 利用氦-空位复合体和氘-空位复合体的结构, 分析了注氦和注氘后在纯铁中形成不同类型位错环的原因. 关键词： 氦 氘 辐照损伤 位错环     

The mechanism of the recrystallization process in epitaxial GaN under dynamic stress field: atomistic origin of planar defect formation

The mechanism of the recrystallization in epitaxial (0001) GaN film, introduced by the indentation technique, is probed by lattice dynamic studies using Raman spectroscopy. The recrystallized region is identified by micro‐Raman area mapping. ‘Pop‐in’ bursts in loading lines indicate nucleation of dislocations and climb of dislocations. These processes set in plastic motion of lattice atoms under stress field at the center of indentation for the initiation of the recrystallization process. A planar defect migration mechanism is evolved. A pivotal role of vacancy migration is noted, for the first time, as the rate‐limiting factor for the dislocation dynamics initiating the recrystallization process in GaN. Copyright © 2009 John Wiley & Sons, Ltd.