A molecular dynamics simulation of a liquid droplet of argon on a solid surface, with a radius of about 1.3nm and a contact angle of about 97°, was performed for the purpose of investigating the molecular diffusion behavior near the contact line of solid, liquid and vapor phases. The anisotropic diffusion process from various positions around the contact line was 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 was detected. On the vapor side of the liquid-vapor interface, a shift of the population distribution peak toward the liquid side was observed.

Molecular Dynamics Study of Diffusion of Liquid Molecules near the Three-Phase Contact. Matsumoto, S.: American Society of Mechanical Engineers, Heat Transfer Division, 1998, 357[3], 179-84