Building reliable lattice Monte Carlo models for real drift and diffusion problems.

Abstract

We revisit the well-known issue of representing an overdamped drift-and-diffusion system by an equivalent lattice random-walk model. We demonstrate that commonly used Monte Carlo algorithms do not conserve the diffusion coefficient when a driving field of arbitrary amplitude is present, and that such algorithms would actually require fluctuating jumping times and one clock per Cartesian direction to work properly. Although it is in principle possible to construct valid algorithms with fixed time steps, we show that no such algorithm can be used in more than two dimensions if the jumps are made along only one axis at each time step.