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在考虑黏附力和单晶铜弹塑性变形基础上,基于EAM和Morse势函数和Verlet算法动态模拟了金刚石压头与单晶铜纳米黏着接触与分离过程。研究表明:压头尚未接触基体时,压头与基体之间作用力主要表现为引力,基体最上层原子易与压头原子发生“突跳”黏着接触现象;继续下移时,接触力随压头位移增大而呈增加趋势,且基体被压正下方不断发生位错原子堆积现象;压头与基体分离中,接触力与压头位移曲线呈锯齿状减小趋势,并且分离过程位移对应于黏着下压接触位移发生明显的黏着滞后现象;分离后,部分原子被黏附于压头底表面,基体已发生明显的塑性变形。
Based on the EAM and Morse potential functions and the Verlet algorithm, the contact and separation between diamond indenter and single crystal copper nanocluster were investigated dynamically based on the adhesion and the elastic-plastic deformation of single crystal copper. The results show that when the indenter is not in contact with the substrate, the force acting between the indenter and the substrate is mainly gravitational. The phenomenon that the uppermost atom of the substrate easily sticks to the “sudden jump” With the increase of displacement of head, the tendency of dislocations and atoms accumulation is increasing. When the pressure head and matrix are separated, the contact force and indenter displacement curve decrease in a jagged manner, and the displacement process of displacement Which is corresponding to the phenomenon of obvious adhesive lag during the contact under pressure. After separation, part of the atoms are adhered to the bottom surface of the indenter, and the substrate has undergone obvious plastic deformation.