A molecular dynamics simulation of bubble nucleation on solid surface

Abstract

A heterogeneous nucleation of a vapor bubble on a solid surface was simulated by the molecular dynamics method. Liquid argon between parallel solid surfaces was gradually expanded, until a vapor bubble was nucleated. Argon liquid was represented by 5488 Lennard-Jones molecules and each surface was represented by three layers of harmonic molecules with the constant temperature heat bath model. With a visualization of void patterns, the density fluctuations leading to the nucleation were compared for different wettability of the surface. The wettability varied by- changing the potential between argon and solid molecule. The over-all shape of the vapor bubble or the "contact angle" was measured at the equilibrium condition achieved after the expansion.