Efficient, positive, and energy stable schemes for multi-D Poisson-Nernst-Planck systems (2001.08350v2)

Abstract: In this paper, we design, analyze, and numerically validate positive and energy-dissipating schemes for solving the time-dependent multi-dimensional system of Poisson-Nernst-Planck (PNP) equations, which has found much use in the modeling of biological membrane channels and semiconductor devices. The semi-implicit time discretization based on a reformulation of the system gives a well-posed elliptic system, which is shown to preserve solution positivity for arbitrary time steps. The first order (in time) fully-discrete scheme is shown to preserve solution positivity and mass conservation unconditionally, and energy dissipation with only a mild $O(1)$ time step restriction. The scheme is also shown to preserve the steady-state. For the fully second order (in both time and space) scheme with large time steps, solution positivity is restored by a local scaling limiter, which is shown to maintain the spatial accuracy. These schemes are easy to implement. Several three-dimensional numerical examples verify our theoretical findings and demonstrate the accuracy, efficiency, and robustness of the proposed schemes, as well as the fast approach to steady states.