Effect of grain size on nanometric cutting of polycrystalline silicon via molecular dynamics simulation

Abstract

The grain size effect is an important factor in determining the material removal behavior of polycrystalline silicon (p-Si). In the present study, to improve the understanding of nanoscale machining of p-Si, we performed molecular dynamics simulation of nanometric cutting on a p-Si workpiece and discussed the grain size effect on material removal behavior and subsurface damage formation. The simulation results indicate that when cutting on the polycrystal workpiece, the material removal process becomes unstable compared with single crystals. Higher removal efficiency, less elastic recovery and higher frictional coefficient are observed as the average grain size decreases. In the subsurface workpiece, when the grain size decreases, slip along grain boundaries merges as a nonnegligible process of the plastic deformation and suppresses the elastic deformation ahead of the cutting tool. It is also revealed that when cutting on a polycrystal workpiece with smaller grains, the average stress decreases while the workpiece temperature increases due to the impediment of heat transfer by grain boundaries. These results could provide a fundamental understanding in the material deformation mechanism of p-Si during nanoscale machining.