单晶铜薄膜纳米压痕过程的分子动力学解析
首发时间:2012-11-30
摘要:本文研究了单晶铜薄膜纳米压痕过程,采用分子动力学方法,建立了单晶铜薄膜纳米压痕的三维仿真模型。本文模拟纳米压痕过程,结合可视化软件研究了单晶铜在纳米压痕中的变形过程及系统势能变化。模拟结果表明:当压头逐渐压入单晶铜薄膜时,试件系统势能逐渐变大,压头施加的载荷力也随之增大。卸载时,试件的势能下降,但最后的势能高于初始状态,这是由于试件发生了塑性变形,塑性变形能储存在变形晶格中,通过压头施加的载荷-位移曲线同时验证了在纳米压痕中的塑性变形情况。与金刚石压头接触面上的单晶铜原子势能发生了较大变化,而试件内部原子势能基本保持不变。被挤出部分的原子以圆环状分布于压头边缘处,显示出比凹坑位置处的其他原子更高的势能。凹坑处(100)与(001)面上的原子势能要大于凹坑内的晶面原子,这是由于位错面滑移后相交所导致的势能升高。
For information in English, please click here
Nanoindentation simulation of molecular dynamics based of monocrystalline copper film
Abstract:This paper studied the process of nanoindentation. The molecular dynamic method was employed to establish a 3D nanoindentation simulation model of monocrystalline copper film. This paper simulated the indentation process. Additionally, it analyzed the deformation process and the change of potential energy of monocrystalline copper film via the visualization software. It is revealed that the potential energy of the workpiece and the load of the indenter were increased when loaded. When unloading, the potential energy decreased, while the final potential energy was higher than the beginning because of the plastic deformation. The energy of plastic deformation was stored in the deformed lattice. By the load-displacement curve from the indenter, the plastic deformation in the nanoindentation process was revealed. The major potential changes appeared at the contact layer of indenter and workpiece, while the internal atoms remained unchanged. The extruded atoms distributed as a ring at the edge of the indenter, which appeared higher potential than the other atoms of the pit. While the potential of the atoms at (100) and (001) face was higher than the other of the pit, resulted of intersect of the dislocation slip.
Keywords: molecular dynamics monocrystal line copper thin film indentation potential energy
基金:
论文图表:
引用
No.****
同行评议
共计0人参与
勘误表
单晶铜薄膜纳米压痕过程的分子动力学解析
评论
全部评论0/1000