单晶铝裂纹扩展机制的分子动力学研究  

Molecular dynamics study of single crystal Al crack growth mechanism

作　　者：闫新兴[1] 徐建刚[1] 胡晓燕[1] 

机构地区：[1]西安邮电大学理学院,陕西西安710061

出　　处：《兵器材料科学与工程》2012年第5期9-12,共4页Ordnance Material Science and Engineering

基　　金：陕西省教育厅专项科研计划项目(2010JK844)

摘　　要：运用分子动力学方法,模拟原子尺寸下中心和边缘裂纹模型的裂纹扩展的微观机理以及温度对裂纹扩展的影响,以单晶铝作为研究对象,采用EMA势计算原子之间的相互作用。模拟结果表明,低温时边缘裂纹模型的屈服应力大于中心裂纹的屈服应力,随着温度的升高,中心裂纹的屈服应力大于边缘裂纹的屈服应力。Taking single crystal aluminum as the reseach subject, the molecular dynamics simulation methods were adopted to study the crack propagation in atomistic scale and the temperature effects for center crack model and edge crack model. The EMA potential was used to calculate the atomic interaction between atoms. It is showed that the yield stress of edge crack model is higher than that of center crack model at low temperature ; the yield stress of center crack model is higher than that of edge crack model at higher temperature.

关 键 词：裂纹扩展 分子动力学 EMA势 屈服应力 

分 类 号：O366.1[理学—流体力学]