摘要
应用分子动力学方法模拟镁单晶在单向压缩作用下的力学性能和微观结构演化过程.在镁单晶低温(5K)压缩的模拟结果中可以同时观察π2面上两种弗兰克柏氏矢量的滑移,即1/6[0223]和1/6[2203].两种滑移的同时启动使得晶体在完成滑移后又恢复到完整的密排六方(hcp)晶体结构,只在滑移区的端部形成内部缺陷和表面形成滑移台阶。
Molecular dynamics simulations are applied to investigate the deformation behavior in Magnesium single crystals.A compressive load is applied along the c-axis at low temperature(5K).We have found that 1/6[0223]and 1/6[2203]dislocations on π2 plane are mainly responsible for the deformation of magnesium single crystal under c-axis compression.After atoms slip,crystal still remains the stable hexagonal close-packed(hep)crystallographic structure.
出处
《计算力学学报》
CAS
CSCD
北大核心
2013年第S1期50-53,共4页
Chinese Journal of Computational Mechanics
基金
国家自然科学基金(11072026)资助项目
关键词
分子动力学
镁单晶
π2面
滑移
密排六方
molecular dynamics simulations
magnesium single crystals
π2 plane
slip
hexagonal close-packed
