关键词: 分子动力学仿真, 滑移位错, 螺旋位错, 硅晶体, 纳米级磨削

Abstract:

According to the dislocation formation mechanism and the silicon crystal structure,the silicon crystal dislocations were analyzed.The slip dislocation and
spiral dislocation models of  the silicon crystal were built based on the dipole model
which ensured that the dislocation models satisfied the periodic boundary conditions.
And the silicon spiral dislocation model was introduced into the MD simulation of  the silicon grinding.From the MD simulation results, the basic properties and grinding mechanism are obtained.

Key words: molecular dynamics(MD) simulation, slip dislocation, screw dislocation, monocrystal silicon, nanometer grinding