We present an automatic three-dimensional mesh generation system for the solution of the Poisson᎐Boltzmann equation using a finite element discretization. The different algorithms presented allow the construction of a tetrahedral mesh using a predetermined spatial distribution of vertices adapted to
Adaptive Mesh Enrichment for the Poisson–Boltzmann Equation
✍ Scribed by Pavel Dyshlovenko
- Publisher
- Elsevier Science
- Year
- 2001
- Tongue
- English
- Weight
- 100 KB
- Volume
- 172
- Category
- Article
- ISSN
- 0021-9991
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✦ Synopsis
An adaptive mesh enrichment procedure for a finite-element solution of the twodimensional Poisson-Boltzmann equation is described. The mesh adaptation is performed by subdividing the cells using information obtained in the previous step of the solution and next rearranging the mesh to be a Delaunay triangulation. The procedure allows the gradual improvement of the quality of the solution and adjustment of the geometry of the problem. The performance of the proposed approach is illustrated by applying it to the problem of two identical colloidal particles in a symmetric electrolyte.
📜 SIMILAR VOLUMES
The automatic three-dimensional mesh generation system for molecular geometries developed in our laboratory is used to solve the Poisson᎐Boltzmann equation numerically using a finite element method. For a number of different systems, the results are found to be in good agreement with those obtained
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A multigrid method is presented for the numerical solution of the linearized Poisson-Boltzmann equation arising in molecular biophysics. The equation is discretized with the finite volume method, and the numerical solution of the discrete equations is accomplished with multiple grid techniques origi