质子辐照对纯铝薄膜微观结构的影响

利用透射电子显微镜(TEM)详细分析了不同剂量的质子辐照纯铝薄膜样品的微观结构, 质子的能量E=160 keV.实验表明,质子辐照能够在Al薄膜中诱发空位位错圈,在实验范围内,位错密度随辐照剂量的增加而增加;质子辐照在1×10¹¹—4×10¹¹/mm²范围内随辐照剂量的增加,位错圈数量密度以及位错圈尺寸都随之增加.在较高剂量6×10¹¹/mm²辐照下,位错圈数量密度减小,但其尺寸显著 关键词： 质子辐照 空位簇缺陷 位错圈 微观结构     

Atomic simulations to evaluate effects of stacking fault energy on interactions between edge dislocation and spherical void in face-centred cubic metals

In this study, molecular dynamics simulations were performed to elucidate the effects of stacking fault energy (SFE) on the physical interactions between an edge dislocation and a spherical void in the crystal structure of face-centred cubic metals at various temperatures and for different void sizes. Four different types of interaction morphologies were observed, in which (1) two partial dislocations detached from the void separately, and the maximum stress corresponded to the detachment of the trailing partial; (2) two partial dislocations detached from the void separately, and the maximum stress corresponded to the detachment of the leading partial; (3) the partial dislocations detached from the void almost simultaneously without jog formation; and (4) the partial dislocations detached from the void almost simultaneously with jog formation. With an increase in void size or SFE, the interaction morphology changed in the above-mentioned order. It was observed that the magnitude of the critical resolved shear stress (CRSS) and its dependence on the SFE were determined by these interaction morphologies. The value of the CRSS in the case of interaction morphology (1) is almost equal to an analytical one based on the linear elasticity by employing the Burgers vector of a single partial dislocation. The maximum value of the CRSS is also obtained by the analytical model with the Burgers vector of the two partial dislocations.     

Recursive super-convergence computation for multi-dimensional problems via one-dimensional element energy projection technique

This paper presents a strategy for computation of super-convergent solutions of multi-dimensional problems in the finite element method (FEM) by recursive application of the one-dimensional (1D) element energy projection (EEP) technique. The main idea is to conceptually treat multi-dimensional problems as generalized 1D problems, based on which the concepts of generalized 1D FEM and its consequent EEP formulae have been developed in a unified manner. Equipped with these concepts, multi-dimensional problems can be recursively discretized in one dimension at each step, until a fully discretized standard finite element (FE) model is reached. This conceptual dimension-by-dimension (D-by-D) discretization procedure is entirely equivalent to a full FE discretization. As a reverse D-by-D recovery procedure, by using the unified EEP formulae together with proper extraction of the generalized nodal solutions, super-convergent displacements and first derivatives for two-dimensional (2D) and three-dimensional (3D) problems can be obtained over the domain. Numerical examples of 3D Poisson’s equation and elasticity problem are given to verify the feasibility and effectiveness of the proposed strategy.     

Ni/Au/n-GaN肖特基二极管可导位错的电学模型

可导线性位错被普遍认为是GaN基器件泄漏电流的主要输运通道,但其精细的电学模型目前仍不清楚.鉴于此,本文基于对GaN肖特基二极管的电流输运机制分析提出可导位错的物理模型,重点强调:1)位于位错中心的深能级受主态(主要Ga空位)电离后库仑势较高,理论上对泄漏电流没有贡献; 2)位错周围的高浓度浅能级施主态电离后能形成势垒高度较低的薄表面耗尽层,可引发显著隧穿电流,成为主要漏电通道;3)并非传统N空位,认为O替代N所形成的浅能级施主缺陷应是引发漏电的主要电学态,其热激活能约为47.5 meV.本工作亦有助于理解其他GaN器件的电流输运和电学退化行为.     

Molecular dynamics study on the evolution of interfacial dislocation network and mechanical properties of Ni-based single crystal superalloys

The evolution of misfit dislocation network at $\gamma /{\gamma }^{\prime }$ phase interface and tensile mechanical properties of Ni-based single crystal superalloys at various temperatures and strain rates are studied by using molecular dynamics (MD) simulations. From the simulations, it is found that with the increase of loading, the dislocation network effectively inhibits dislocations emitted in the γ matrix cutting into the ${\gamma }^{\prime }$ phase and absorbs the matrix dislocations to strengthen itself which increases the stability of structure. Under the influence of the temperature, the initial mosaic structure of dislocation network gradually becomes irregular, and the initial misfit stress and the elastic modulus slowly decline as temperature increasing. On the other hand, with the increase of the strain rate, it almost has no effect on the elastic modulus and the way of evolution of dislocation network, but contributes to the increases of the yield stress and tensile strength. Moreover, tension–compression asymmetry of Ni-based single crystal superalloys is also presented based on MD simulations.     

Remark on Landau quantization,Aharonov–Bohm effect and two-dimensional pseudoharmonic quantum dot around a screw dislocation

We investigate the influence of a screw dislocation on the energy levels and the wavefunctions of an electron confined in a two-dimensional pseudoharmonic quantum dot under the influence of an external magnetic field inside a dot and Aharonov–Bohm field inside a pseudodot. Filgueiras et al. (2016) [1] showed that the Schrödinger equation is separable in cylindrical coordinates when the motion along the z axis is unbounded. We show that it is not separable under box confinement as those authors claim but it is separable in the case of periodic boundary conditions along that axis.     

十次对称二维准晶材料的位错动力学问题

论文采用Bak准晶弹性动力学模型研究了十次对称二维准晶材料的位错动力学问题.将Stroh公式推广到了准晶材料动力学问题的研究中,给出了位移和应力一般解的表达式.讨论了位错移动速度、声子场和相位子场耦合弹性常数R对声子场、相位子场位移和应力的影响.     

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.     

含非完整界面涂层夹杂中螺型位错的弹性分析

研究了含非完整界面圆形涂层夹杂内部一个螺型位错在夹杂、涂层与无限大基体材料中产生的弹性场.运用复变函数函数方法,获得了三个区域复势函数的解析解答.利用求得的应力场和Peach-Koehler公式,得到了作用在螺型位错上位错力的精确表达式.主要讨论了两个非完整界面对位错力的影响规律.结果表明,涂层界面对夹杂内部螺型位错的吸引力随着界面粘结强度的弱化而变大.界面非完整程度增加削弱材料弹性失配对位错力的影响.在一定条件下,非完整界面可以改变夹杂内位错与涂层/基体系统之间的引斥干涉规律,并使位错在夹杂内部产生一个稳定或非稳定的平衡点.