Dynamic Monte Carlo versus Brownian dynamics: A comparison for self-diffusion and crystallization in colloidal fluids

Abstract

Here we present a comparative study of dynamic Monte Carlo and Brownian dynamics simulations of colloidal systems with repulsive interactions. We show that if the Monte Carlo time is rescaled with the acceptance probability, the estimates of the self-diffusion coefficient and of the crystallization times are, respectively, in good and fair agreement with the Brownian dynamics simulations. We also analyze the case of a particle in a one-dimensional potential, where we show that the convergence of a Monte Carlo procedure to the Brownian dynamics result is faster when time is rescaled by the acceptance probability, which gives a theoretical basis for this practical recipe.