Nano-grinding process of single-crystal silicon using molecular dynamics simulation: Nano-grinding parameters effect

Investigation of the surface & subsurface generation process of the single-crystal silicon during the ultra-precision process is significant in improving the machined surface quality and durability of the machined wafer. In this work, the molecular dynamics (MD) simulation method is used as the theoretical basis to study the surface generation, mechanical response, phase transformation, and residual stress of the single-crystal silicon during the nano-grinding process. The nano-grinding process is studied by adjusting the nano-grinding parameters in the MD simulations. The simulation results prove that the nano-grinding speed, ambient temperature, and nano-grinding depth can affect the atomic movement process in the surface & subsurface of the workpiece to a large extent, thereby affecting the processing force and machined surface quality of the workpiece. In addition, adjusting the nano-grinding speed, ambient temperature, and nano-grinding depth can effectively inhibit the generation of the subsurface damage layer (SDL), the phase transformation, and the residual stress concentration in the SDL, improving the machined subsurface quality of the workpiece. This work clarifies the surface generation mechanism of single-crystal silicon from the atomic perspective and has a guiding role in realizing surface & subsurface ultra-precision machining.