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本文采用分子动力学方法模拟了纳米单晶铜薄膜在单向拉伸载荷作用下的塑性变形过程,重点分析了空位型缺陷的形核过程和演化机理.在模拟过程中,采用镶嵌原子势描述原子间的相互作用.模拟结果表明纳米铜薄膜中塑性变形起源于位错的表面形核,而空位型缺陷的形核及演化都与晶体内部的位错运动密切相关.空位型缺陷通常从位错割阶及层错交截处开始形核,以单空位、层错四面体和不规则空位团等形式存在.
In this paper, the molecular dynamics simulation is used to simulate the plastic deformation of nanocrystalline copper films under uniaxial tensile loading, and the nucleation process and evolution mechanism of vacancy defects are analyzed emphatically. In the simulation process, The simulation results show that the plastic deformation in the nano-copper film originates from dislocation surface nucleation, and the nucleation and evolution of vacancy defects are closely related to the dislocation movement in the crystal. The faults and fault faults intercept begin to form nuclei and exist in the form of single vacancy, fault-stacking tetrahedra and irregular vacancy groups.