A uniquely solvable and positivity-preserving finite difference scheme for the Flory-Huggins-Cahn-Hilliard equation with dynamical boundary condition

TL;DR

This paper introduces a novel finite difference scheme for the coupled Flory-Huggins-Cahn-Hilliard system with dynamical boundary conditions, ensuring unique solvability, positivity, and energy stability despite nonlinear and singular potentials.

Contribution

The paper develops a convex splitting finite difference scheme that guarantees unique solvability and positivity preservation for a complex coupled system with singular energy potentials.

Findings

The scheme is proven to be uniquely solvable and positivity-preserving.

The energy stability of the numerical method is rigorously established.

Numerical experiments demonstrate the effectiveness of the proposed scheme.

Abstract

In this paper we propose and analyze a finite difference numerical scheme for the Flory-Huggins-Cahn-Hilliard equation with dynamical boundary condition. The singular logarithmic potential is included in the Flory-Huggins energy expansion. Meanwhile, a dynamical evolution equation for the boundary profile corresponds to a lower-dimensional singular energy potential. In turn, a theoretical analysis for the coupled system becomes very challenging, since it contains nonlinear and singular energy potentials for both the interior region and on the boundary. In the numerical design, a convex splitting approach is applied to the chemical potential associated with the energy both at the interior region and on the boundary: implicit treatments for the singular and logarithmic terms, as well as the surface diffusion terms, combined with an explicit treatment for the concave expansive term. In addition, the discrete boundary condition for the phase variable is coupled with the evolutionary equation of the boundary profile. The resulting numerical system turns out to be highly nonlinear, singular and coupled. A careful finite difference approximation and convexity analysis reveals that such a numerical system could be represented as a minimization of a discrete numerical energy functional, which contains both the interior and boundary integrals. More importantly, all the singular terms correspond to a discrete convex functional. As a result, a unique solvability and positivity-preserving analysis could be theoretically justified, based on the subtle fact that the singular nature of the logarithmic terms around the singular limit values prevent the numerical solutions reaching these values. The total energy stability analysis could be established by a careful estimate over the finite difference inner product. Some numerical results are presented in this article.