Computer modeling of molecularly thin film of liquid argon confined between diamond surfaces

摘要

Within the method of classical molecular dynamics we study the kinetic and tribological properties of molecularly thin film of liquid argon, consisting of one or two layers of molecules, squeezed by two atomically flat crystalline diamond surfaces. The model of elastic spheres for argon molecules and absolutely hard diamond plates is treated. With the help of Green-Kubo and Einstein formulas the time dependences for the autocorrelation function and diffusion coefficient are built. It is proved that increase of external load leads to a gradual transition of a film to the solid-like state. The dependences of friction force on time, external load (surface pressure), and shear force are investigated showing different rubbing modes.