In this work, research on the ultra-high-speed grinding features of monocrystalline nickel was conducted via molecular dynamics. By the molecular dynamics modeling, calculation and analysis of the grinding process of monocrystalline nickel at various speeds and depths, the changes in the morphology of the grinding chips, grinding force and potential energy at different grinding stages were analyzed. The formation mechanism of chips was revealed and the relationship between the subsurface defects and tangential forces after the processing of monocrystalline nickel was indentified which provided the theoretical foundation for illustrating the surface generative mechanism of the monocrystalline particle micro-grinding action.