Molecular dynamics simulation of the material removal characteristics for monocrystalline silicon: A comparative study of various cutting methods

SK Li and M Chi and D Li and YT Li and XY Liu and B An and JG Han, JOURNAL OF MECHANICAL SCIENCE AND TECHNOLOGY, 39, 5925-5938 (2025).

DOI: 10.1007/s12206-025-0928-4

In the processing of monocrystalline silicon, the selection of cutting method determines the cutting performance. To elucidate the material removal characteristics associated with various vibration-assisted cutting methods, molecular dynamics simulations were employed to conduct a comparative study with conventional cutting, focusing on material deformation, material damage mechanism, temperature, and cutting force. The findings reveal that the direction of vibration influences the height and quantity of the chips, the vibration in the cutting direction facilitates chip generation, whereas the vibration in the cutting depth direction can significantly reduce the formation and accumulation of chips during the cutting process. The accumulation of atoms on the tool's side and the workpiece surface generates a flow angle, positively correlated with the quantity of side flow atoms on the processed surface. Additionally, the format of workpiece material damage predominantly consists of amorphous structures, cubic diamond-like structures, and a minor proportion of hexagonal diamond-like structures regardless of cutting methods. Furthermore, the in-corporation of vibration during the cutting process can effectively reduce the average cutting force. This research is of great significance for understanding the deformation evolution and removal mechanisms of monocrystalline silicon under steady-state and cyclic loading at the nanometer scale.

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