Nanoparticle (NP), as a kind of hard-to-machine component in nanofabrication processes, dramatically affects the machined surface quality in nano-cutting. However, the surface/subsurface generation and the plastic deformation mechanisms of the workpiece still remain elusive. Here, the nano-cutting of a single-crystalline copper workpiece with a single spherical embedded nanoparticle is explored using molecular dynamics (MD) simulations. Four kinds of surface/subsurface cases of nanoparticle configuration are revealed, including being removed from the workpiece surface, moving as a part of the cutting tool, being pressed into the workpiece surface, and not interacting with the cutting tool, corresponding to four kinds of relative depth ranges between the center of the nanoparticle and the cutting tool. Significantly different plastic deformation mechanisms and machined surface qualities of the machined workpiece are also observed, suggesting that the machined surface quality could be improved by adjusting the cutting depth, which results in a change of the relative depth. In addition, the nanoparticle also significantly affects the processing forces in nano-cutting, especially when the cutting tool strongly interacts with the nanoparticle edge.

The edge effect refers to what occurs when an object undergoes elastic contact with the edge of a material. This is common in practical applications, but the understanding of this phenomenon is not yet mature enough, and understanding the microscopic characteristics of the material regarding this phenomenon is necessary. This article investigates the edge effects of single-crystal silicon at different indentation positions through molecular dynamics simulations. The results indicate that the edge effect of the indentation is influenced by the indentation position and depth. The closer the indentation head is to the edge of the workpiece, the more particles are extruded from the side of the workpiece and the wider the collapse range of the indentation surface. At the same time, the indentation position also affects the distribution of the von Mises stress and phase transition area. When the edge effect occurs, the von Mises stress and phase transition region tend to be concentrated near the workpiece edge. This study demonstrates the atomic-scale deformation mechanism of single-crystal silicon under varying indentation positions.