基于分子动力学的单晶硅纳米压痕过程分析

Analysis of Nanoindentation Process of Single Crystal Silicon Based on Molecular Dynamics

基于分子动力学角度,本文主要分析了单晶硅的纳米压痕过程,并尝试解释其瞬间原子位置、作用力变化以及其压痕过程等原理。经过笔者试验发现:磨粒的不断压入,会使单晶硅的硅晶格发生变成,且磨粒产生的能量会以应变能的形式存储在晶格之中。同时,随着硅原子势能增加到一定数值时,硅原子键就会以断裂形式变成非晶层堆积在磨粒下方。当磨粒离开单晶硅时,非晶层开始重构,释放能量,达到新的平衡状态。

Based on the perspective of molecular dynamics,this article mainly analyzes the nanoindentation process of single crystal silicon,and attempts to explain the instantaneous atomic position,force change,and its indentation process.After the author's experiment,it is found that the continuous pressing of abrasive grains will cause the silicon lattice of single crystal silicon to change,and the energy generated by the abrasive grains will be stored in the lattice in the form of strain energy.At the same time,as the potential energy of silicon atoms increases to a certain value,the bonds of silicon atoms will be broken into an amorphous layer and piled under the abrasive grains.When the abrasive particles leave the single crystal silicon,the amorphous layer begins to restructure,release energy,and reach a new equilibrium state.