Novel Monte Carlo Approach to the Dynamics of Fluids: Single-Particle Diffusion, Correlation Functions, and Phase Ordering of Binary Fluids.

Abstract

We propose a novel Monte Carlo scheme to study the late-time dynamics of a 2D hard sphere fluid, modeled by a tethered network of hard spheres. Fluidity is simulated by breaking and reattaching the flexible tethers. We study the diffusion of a tagged particle, and show that the velocity autocorrelation function has a long-time ${t}^{\ensuremath{-}1}$ tail. We investigate the dynamics of phase separation of a binary fluid at late times, and show that the domain size $R(t)$ grows as ${t}^{1/2}$ for high-viscosity fluids with a crossover to ${t}^{2/3}$ for low-viscosity fluids. Our scheme can accommodate particles interacting with a softer pair potential $V(r)$.