Direct simulation monte carlo for dense hard spheres

Abstract

We propose a modified direct simulation Monte Carlo (DSMC) method, which extends the validity of DSMC from rarefied to dense system of hard spheres (HSs). To assess this adapted method, transport properties of hard-sphere (HS) systems have been predicted both at dense states as well as dilute, and we observed the excellent accuracy over existing DSMC-based algorithms including the Enskog theory. The present approach provides an intuitive and systematic way to accelerate molecular dynamics (MD) via mesoscale approach.