） 摘要： 本文采用分子动力学方法选用几种不同的势函数考察了Al单晶在两种温度下的弹性常数和两个晶面的表面能
刘立胜
不同的势函数对Al单晶的弹性常数和表面能的影响[EB/OL]
北京：中国科技论文在线
Mishin提出的EAM势能够很好的模拟0K到300K温度下力学性能和表面能
Voter和Chen提出的EAM势在0K温度下与理论值相符
弹性常数 Lai Xin
） Abstract： Molecular dynamics (MD) simulations in monocrystalline Aluminum are performed to calculate elastic constants and surface energy based on various potential functions
The results showed the Morse potentials are not inappropriate to the simulations of materials with defects or dislocations, while EAM potential proposed by Voter and Chen showed a reasonable agreement with theory and experiment at 0K
EAM potential proposed recently by Mishin et al showed good agreements with experiment with both elastic constants and surface energy at 0K and 300K
Keywords： Molecular Dynamics;Surface Energy;Elastic Constants 下载PDF阅读器 PDF全文下载： 初稿 （ 323 ） 作者简介： 通信联系人： 【收录情况】 中国科技论文在线： 赖欣
