Fast Brownian cluster dynamics

Abstract

We present an efficient method to perform overdamped Brownian dynamics simulations in external force fields and for particle interactions that include a hardcore part. The method applies to particle motion in one dimension, where it is possible to update particle positions by repositioning particle clusters as a whole. These clusters consist of several particles in contact. They form because particle collisions are treated as completely inelastic rather than elastic ones. Updating of cluster positions in time steps is carried out by cluster fragmentation and merging procedures. The presented method is particularly powerful at high collision rates in densely crowded systems, where collective movements of particle assemblies is governing the dynamics. As an application, we simulate the single-file diffusion of sticky hard spheres in a periodic potential.