Analysis of friction mechanism of surface films studied by molecular simulations

Abstract

Molecular simulation approaches to understand the mechanisms of solid lubrication are discussed. Pathway of the solid lubrication is based on surface coating and additives in lubricating oil. Then the formation of transfer layer and the surface modification with chemical reaction come to the topic which should be understood. For the basic understanding, the solid friction model due to lattice vibration is introduced. Then molecular dynamics simulations of boundary water film on the silanol covered surface, formation process of molybdenum disulfide layer, and formation of transfer film of graphene are introduced. Finally the low friction mechanism of graphene transfer layers studied by coarse-grain molecular simulation is discussed.