表面效应对纳米铜杆拉伸性能影响的原子模拟  

ATOMISTIC SIMULATION OF TENSION PROPERTIES OF NANO CRYSTAL COPPER WIRE UNDER SURFACE EFFECTS

作　　者：梁海弋[1] 倪向贵[1] 王秀喜[1] 

机构地区：[1]中国科学技术大学力学与机械工程系,合肥230026

出　　处：《金属学报》2001年第8期833-836,共4页Acta Metallurgica Sinica

基　　金：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，表面原子弛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．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.

关 键 词：拉伸性能 分子动力学 表面效应 纳米铜杆 

分 类 号：TB383[一般工业技术—材料科学与工程] TH－39[机械工程]