摘要
使用分子动力学方法,采用嵌入原子势(EAM),在0K下模拟了面心立方金属Cu单晶的刃型位错,研究了刃型位错产生对晶体体积的影响.模拟结果表明,无论使用推入还是抽出原子层的方法获得刃型位错,平衡状态时刃型位错的存在使晶体体积增大.
The edge dislocation of single crystal copper has been simulated from molecular dynamics simulation with EAM potential at 0K.Also, the effect of the formation of edge dislocation on crystalline volume has been studied.The results show that the existence of edge dislocation in equilibrium state makes the volume of the crys-tal dilate, either by pushing or by extracting atom layers method to acquire edge dislocation.
出处
《原子与分子物理学报》
CAS
CSCD
北大核心
2015年第3期463-465,共3页
Journal of Atomic and Molecular Physics
基金
国家自然科学基金(51071125)
关键词
刃型位错
面心立方
体积
分子动力学模拟
Edge dislocation
Face-centered cubic
Volume
Molecular dynamics simulation
