Atomistic tribological investigation of ultrathin layer of carbon disulfide between diamond surfaces

Abstract

Using the method of classical molecular dynamics the tribological properties are studied of one molecular layer of liquid carbon disulfide, pressed by two atomically smooth diamond surfaces. We treat the models of elastic spheres for carbon disulfide molecules and absolutely rigid diamond plates. The found time series of atomic level friction force at the contact is heterogeneous. An increase of the external normal pressure leads to the transition of the film to a solidlike state. This is manifested in a decrease of the diffusion constant, in the behavior of velocity autocorrelation function of liquid molecules and average friction force.