【摘要】 采用分子静力学方法模拟了〈100〉单晶铜纳米线的拉伸变形过程,研究了纳米线屈服的机理.结果表明:1)纳米线初始屈服通过部分位错随机激活的{111}〈112〉孪生实现,后继屈服通过{111}〈112〉部分位错滑移实现;2)纳米线变形初期不同滑移面上的部分位错在两面交线处相遇形成压杆位错,变形后期部分位错在刚性边界处塞积,两者都阻碍位错滑移,引起一定的强化作用.更多还原

【Abstract】 Molecular statics simulation was used to study the yielding mechanism of 〈100〉 oriented single crystal copper nanowires under tension.The results show that,the yield of nanowires is initially realised via {111}〈112〉 twinning from random activation of partials,and subsequently via slip of {111}〈112〉 partial dislocation;in addition,the partial dislocations on different planes successively slip and meet to form stair-rod dislocation at the initial stage of plastic deformation,while some partial dislocations are piled up near the rigid boundary at the later stage of plastic deformation,both of which hinder dislocation slip,resulting in strengthening of the single crystal copper nanowires.更多还原