Molecular dynamics modeling and simulation of lubricant between sliding solids

Abstract

This paper presents molecular dynamic modeling and simulation of lubricant between sliding solids. Linear [Formula: see text]-alkanes with united atoms were used to model lubricant while iron sliding solids were modeled with body-centered cubic crystal lattices. We employed various potential functions, including the embedded atom method, the multibody force field and the Lennard–Jones potential, to approximate the interatomic interactions in the molecular model. Hydrodynamic lubrication was considered in this paper. We found that the temperature and the chain length of alkanes had effects on the friction between lubricated sliding solids. In addition, one debris, modeled as a nanoparticle, was added in the lubricant to study its effect on the friction. It was observed that nanoparticles would increase the friction in hydrodynamic lubrication.