铝合金纳尺度缺陷形成和发展的分子动力学模拟  

Molecular Dynamics Simulation of Formation and Development of Nano-scale Defects in Aluminum Alloy

作　　者：倪阳[1] 周储伟[1] 喻溅鉴[2] 邹静[2] NI Yang;ZHOU Chu-wei;YU Jian-jian;ZOU Jing(Nanjing University of Aeronautics and Astronautics,Jiangsu Nanjing 210016;China Helicopter Research and Development Institute,Jiangxi Jingdezhen 333001,China)

机构地区：[1]南京航空航天大学,江苏南京210016 [2]中国直升机设计研究所,江西景德镇333001

出　　处：《广州化工》2018年第16期14-16,20,共4页GuangZhou Chemical Industry

基　　金：国家自然科学基金(No.11272147;No.10772078)

摘　　要：运用分子动力学方法,采用原子镶嵌势函数模拟单晶铝纳米柱在受单向拉伸和压缩时的变形破坏过程,分析了铝纳米柱的微缺陷(位错)形成与演化及原子总能量变化过程。模拟结果表明铝纳米柱在外载荷作用下,原子缺陷从自由表面开始向内部扩展,随着位错增加和塞积,导致铝纳米柱破坏。另外,在铝纳米柱拉伸和压缩过程中,原子总能量呈现出三阶段变化的特性。With the EAM potential, molecular dynamics method was used to simulate the deformation and damage behavior of axial tension and compression of aluminum nano- column. The formation and evolution of micro defect （dislocation） were studied, as well as the total atom energy. The results showed that atom defects expanded from the surface to the inner of aluminum nano-column. With the increase and piling up of dislocations, the aluminum nano- column eventually damaged. In addition, the change of total atom energy demonstrated a three-stage characteristic in the process of tension and compression of aluminum nano-column.

关 键 词：铝 分子动力学 EAM势 位错 

分 类 号：TB122[理学—工程力学]