Brownian Dynamics Simulation of Polydisperse Hard Spheres

TL;DR

This paper introduces a novel algorithm for simulating the overdamped Brownian dynamics of polydisperse hard-spheres, overcoming challenges posed by the non-slowly varying interactions in hard-body systems.

Contribution

The authors develop a new simulation algorithm based on a short time approximation of the Smoluchowski equation for hard-sphere systems, addressing limitations of standard Langevin integration methods.

Findings

Effective simulation of polydisperse hard-spheres without hydrodynamics.

Algorithm handles non-slowly varying interactions during timestep.

Potential extension to systems with external drifts.

Abstract

Standard algorithms for the numerical integration of the Langevin equation require that interactions are slowly varying during to the integration timestep. This in not the case for hard-body systems, where there is no clearcut between the correlation time of the noise and the timescale of the interactions. Starting from a short time approximation of the Smoluchowsky equation, we introduce an algorithm for the simulation of the overdamped Brownian dynamics of polydisperse hard-spheres in absence of hydrodynamics interactions and briefly discuss the extension to the case of external drifts.