Recent advances in molecular dynamics simulations for dry friction on rough substrate

Abstract This review provides a comprehensive overview of recent advancements in molecular dynamics (MD) simulations of dry friction on rough substrates. While nanoscale roughness plays a crucial role in nanotribological investigations, the exploration of rough substrates remains insufficient based on MD simulations. This paper summarizes research on rough surfaces constructed from various descriptions, including the multi-asperity surface, groove-textured surface, fractal surface, Gaussian surface, stepped surface and randomly rough surface. In addition, the friction behavior of rough substrates coated with solid films is comprehensively elucidated. Present investigations on rough surfaces primarily focus on the effect of basic frictional variables, surface morphology characteristics and different motion types. The studies conducted on rough substrates exhibit a higher degree of resemblance to realistic interfaces, thereby offering valuable insight into the design of surface morphology to achieve enhanced frictional performance.