Abstract
Molecular dynamics (MD) simulations were applied to study the fundamental mechanism of nanoscale grinding with a modeled tool trajectory of straight lines. Nevertheless, these models ignore curvature changes of actual tool paths, which need optimization to facilitate understanding of the underlying science of the machining processes. In this work, a three-dimensional MD model considering the effect of tool paths was employed to investigate distributions of stresses including hydrostatic stress, von Mises stress, normal and shear stresses during atomic grinding. Simulation results showed that average values of the stresses are greatly influenced by the radius of the tool trajectory and the grinding depth. Besides the averaged stresses, plane stress distribution was also analyzed, which was obtained by intercepting stresses on the internal planes of the workpiece. For the case of a grinding depth of 25 Å and an arc radius 40 Å, snapshots of the stresses on the X-Y, X-Z and Y-Z planes showed internal stress concentration. The results show that phase transformation occurred from α- silicon to β- silicon in the region with hydrostatic stress over 8 GPa. Moreover, lateral snapshots of the three-dimensional stress distribution are comprehensively discussed. It can be deduced from MD simulations of stress distribution in monocrystalline silicon with the designed new model that a curved tool trajectory leads to asymmetric distribution and concentration of stress during atomic-scale grinding. The analysis of stress distribution with varying curve geometries and cutting depths can aid fundamental mechanism development in nanomanufacturing and provide theoretical support for ultraprecision grinding.