Molecular dynamics study of diffusion of liquid molecules near the three-phase contact

摘要

A molecular dynamics simulation of a liquid droplet of argon on a solid surface,with a radius of about 1.3 nm and a contact angle of about 97 deg,is performed for the purpose of investigating the molecular diffusion behavior near the contact line of solid,liquid,and vaor phases.The anisotropic diffusion process from various positions around the contact ine is studied by an analysis based on the self space-time correlation function.A comparatively large diffusion along the solid-liquid and the liquid-vapor interfaces is detected.On the vapor side of the liquid-vapor interface,a shift of the population distribution peak toward the liquid side is observed.