BCC铁刃位错与铜沉淀物、空洞相互作用的分子动力学模拟  

Atomistic Simulation of Interaction Between Edge Dislocation in BCC Iron and Precipitates and Voids

作　　者：刘永庆[1] 买买提明.艾尼 

机构地区：[1]新疆大学机械工程学院,新疆乌鲁木齐830047

出　　处：《机械制造与自动化》2015年第2期128-130,共3页Machine Building & Automation

基　　金：国家重点基础研究发展计划(973计划)(2011CB706601)

摘　　要：通过分子动力学方法(MD),在Osetsky模型和Malerba势能基础上,沿[111]方向插入一层半原子面形成位错;在模型中分别插入沉淀物和空洞,采用共轭梯度法(Conjugate Gradient)进行松弛,模拟BCC铁中刃型位错与沉淀物、空洞相互作用,研究沉淀物和空洞对位错影响机理;将模拟结果与Osetsky的研究数据及连续体模型的结果进行对比和分析。In this paper, by using the molecular dynamics method （ MD）, on the basis of the Osetsky model and the Malerba poten- tial, in the [ 111 ] direction a layer of a half of plane of atoms is inserted into to form the dislocation, and then the precipitate and void are respectively inserted into the model, relaxed by the conjugate gradient method to simulate the interaction of edge dislocation in BCC iron and precipitate and void and make a study of its mechanization and the simulation data and the continuum model results of Osetsky are compared and analyzed.

关 键 词：刃型位错 沉淀物 空洞 共轭梯度法 

分 类 号：O77[理学—晶体学]