Discontinuous Bubble Immersed Finite Element Method for Poisson-Boltzmann Equation

被引：14

作者：

Kwon, In ^{[1
]}

Kwak, Do Y. ^{[1
]}

机构：

[1] Korea Adv Inst Sci & Technol, Dept Math Sci, 291 Daehak Ro,373-1 Guseong Dong, Daejeon 305701, South Korea

来源：

COMMUNICATIONS IN COMPUTATIONAL PHYSICS | 2019年 / 25卷 / 03期

关键词：

Biomolecular electrostatics; Poisson-Boltzmann equation; immersed finite element method; discontinuous bubble function; linearization; MATCHED INTERFACE; ELLIPTIC-EQUATIONS; ELECTROSTATICS; APPROXIMATION; SIMULATIONS; JUMP;

D O I：

10.4208/cicp.OA-2018-0014

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We develop a numerical scheme for nonlinear Poisson-Boltzmann equation. First, we regularize the solution of PBE to remove the singularity. We introduce the discontinuous bubble function to treat the nonhomogeneous jump conditions of the regularized solution. Next, starting with an initial guess, we apply linearization to treat the nonlinearity. Then, we discretize the discontinuous bubble and the bilinear form of PBE. Finally, we solve the discretized linear problem by IFEM. This process is repeated by updating the previous approximation. We carry out numerical experiments. We observe optimal convergence rate for all examples.

引用

页码：928 / 946

页数：19

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