Advances in molecular dynamics simulation of nano-manufacturing of monocrystalline materials

Molecular dynamics simulation is one of the important methods to study nano-manufacturing, whose fundamental principles and methods are introduced. This paper mainly reviews the principles of monocrystalline nano-machining from five aspects by classical molecular dynamics simulations, namely, phase transformations, mechanical properties, thermodynamics properties, ambient medium effects, and subsurface damage mechanisms. Finally, some problems and future development directions in the molecular dynamics simulation are pointed out.