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表面效应对纳米铜杆拉伸性能影响的原子模拟
引用本文:梁海弋,倪向贵,王秀喜.表面效应对纳米铜杆拉伸性能影响的原子模拟[J].金属学报,2001,37(8):833-836.
作者姓名:梁海弋  倪向贵  王秀喜
作者单位:中国科学技术大学力学与机械工程系,合肥,230026
基金项目:国家教委博士点基金资助项目 97035818
摘    要:采用EAM势对纳米铜杆的拉伸力学性能进行零温分子动力学模拟。研究了表面效应对原子能量、截面应力分布的影响。模拟结果表明,表面原子驰豫降低了纳米杆初始阶段的拉伸弹性模量,表面效应明显影响截面应力的发展与分布。

关 键 词:拉伸性能  分子动力学  表面效应  纳米铜杆
文章编号:0412-1961(2001)08-0833-04
修稿时间:2001年1月3日

ATOMISTIC SIMULATION OF TENSION PROPERTIES OF NANO CRYSTAL COPPER WIRE UNDER SURFACE EFFECTS
LIANG Haiyi,NI Xianggui,WANG Xiuxi.ATOMISTIC SIMULATION OF TENSION PROPERTIES OF NANO CRYSTAL COPPER WIRE UNDER SURFACE EFFECTS[J].Acta Metallurgica Sinica,2001,37(8):833-836.
Authors:LIANG Haiyi  NI Xianggui  WANG Xiuxi
Affiliation:LIANG Haiyi,NI Xianggui,WANG Xiuxi Department of Modern Mechanics,University of Science and Technology of China,Hefei 230026
Abstract:A zero temperature simulation of tension properties of nano crystal copper wire has been studied by embedded atom method (EAM) and molecular dynamics. The surface effects on the distribution of atom energy and stress on cross section were investigated. It is found that the initial elastic modulus is decreased by surface relaxation, and the surface effect plays an important role in the evolution and distribution of stress.
Keywords:copper nanowire  tension property  molecular dynamics  surface effect
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