A Compact Coupling Interface Method with Accurate Gradient Approximation for Elliptic Interface Problems

TL;DR

The paper introduces CCIM, a finite difference method that achieves second-order accuracy in both solution and gradient approximations for elliptic interface problems, improving robustness and compactness over previous methods.

Contribution

It presents a novel Compact Coupling Interface Method that combines elements of existing techniques to provide accurate gradient approximations with a more compact stencil.

Findings

Achieves second-order accuracy in solution and gradients

Demonstrates robustness on complex biomolecular surfaces

Uses a more compact stencil than previous methods

Abstract

We propose the Compact Coupling Interface Method (CCIM), a finite difference method capable of obtaining second-order accurate approximations of not only solution values but their gradients, for elliptic complex interface problems with interfacial jump conditions. Such elliptic interface boundary value problems with interfacial jump conditions are a critical part of numerous applications in fields such as heat conduction, fluid flow, materials science, and protein docking, to name a few. A typical example involves the construction of biomolecular shapes, where such elliptic interface problems are in the form of linearized Poisson-Boltzmann equations, involving discontinuous dielectric constants across the interface, that govern electrostatic contributions. Additionally, when interface dynamics are involved, the normal velocity of the interface might be comprised of the normal derivatives of solution, which can be approximated to second-order by our method, resulting in accurate interface dynamics. Our method, which can be formulated in arbitrary spatial dimensions, combines elements of the highly-regarded Coupling Interface Method, for such elliptic interface problems, and Smereka's second-order accurate discrete delta function. The result is a variation and hybrid with a more compact stencil than that found in the Coupling Interface Method, and with advantages, borne out in numerical experiments involving both geometric model problems and complex biomolecular surfaces, in more robust error profiles.