Discontinuous bubble immersed finite element method for Poisson-Boltzmann-Nernst-Planck model
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Kwon, In | - |
dc.contributor.author | Kwak, Do Y. | - |
dc.contributor.author | Jo, Gwanghyun | - |
dc.date.accessioned | 2023-09-11T01:31:54Z | - |
dc.date.available | 2023-09-11T01:31:54Z | - |
dc.date.issued | 2021-08 | - |
dc.identifier.issn | 0021-9991 | - |
dc.identifier.issn | 1090-2716 | - |
dc.identifier.uri | https://scholarworks.bwise.kr/erica/handle/2021.sw.erica/115135 | - |
dc.description.abstract | We develop a numerical scheme for Poisson-Boltzmann-Nernst-Planck (PBNP) model. We adopt Gummel's method to treat the nonlinearity of PBNP where Poisson-Boltzmann equation and Nernst-Planck equation are iteratively solved, and then the idea of discontinuous bubble (DB) to solve the Poisson-Boltzmann equation is exploited [6]. First, we regularize the solution of Poisson-Boltzmann equation to remove the singularity. Next, we introduce the DB function as in [6] to treat the nonhomogeneous jump conditions of the regularized solution. Then, we discretize the discontinuous bubble and the bilinear form of Poisson-Boltzmann equation and solve the discretized linear problem by the immersed finite element method. Once Poisson-Boltzmann equation is solved, we apply the control volume method to solve Nernst-Planck equation via an upwinding concept. This process is repeated by updating the previous approximation until the total residual of the system decreases below some tolerance. We provide our numerical experiments. We observe optimal convergence rates for the concentration variable in all examples having analytic solutions. We observe that our scheme reflects well without oscillations the effect on the distribution of electrons caused by locating the singular charge close to the interface. © 2021 Elsevier Inc. | - |
dc.format.extent | 17 | - |
dc.language | 영어 | - |
dc.language.iso | ENG | - |
dc.publisher | Academic Press | - |
dc.title | Discontinuous bubble immersed finite element method for Poisson-Boltzmann-Nernst-Planck model | - |
dc.type | Article | - |
dc.publisher.location | 미국 | - |
dc.identifier.doi | 10.1016/j.jcp.2021.110370 | - |
dc.identifier.scopusid | 2-s2.0-85105319610 | - |
dc.identifier.wosid | 000655588500002 | - |
dc.identifier.bibliographicCitation | Journal of Computational Physics, v.438, pp 1 - 17 | - |
dc.citation.title | Journal of Computational Physics | - |
dc.citation.volume | 438 | - |
dc.citation.startPage | 1 | - |
dc.citation.endPage | 17 | - |
dc.type.docType | 정기학술지(Article(Perspective Article포함)) | - |
dc.description.isOpenAccess | N | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Computer Science | - |
dc.relation.journalResearchArea | Physics | - |
dc.relation.journalWebOfScienceCategory | Computer Science, Interdisciplinary Applications | - |
dc.relation.journalWebOfScienceCategory | Physics, Mathematical | - |
dc.subject.keywordPlus | INTERFACE PROBLEMS | - |
dc.subject.keywordPlus | CRACK-GROWTH | - |
dc.subject.keywordPlus | ION CHANNELS | - |
dc.subject.keywordPlus | APPROXIMATION | - |
dc.subject.keywordPlus | TRANSPORT | - |
dc.subject.keywordPlus | EQUATION | - |
dc.subject.keywordPlus | SCHEME | - |
dc.subject.keywordAuthor | Biomolecular electrostatics | - |
dc.subject.keywordAuthor | Discontinuous bubble function | - |
dc.subject.keywordAuthor | Gummel's iteration | - |
dc.subject.keywordAuthor | Immersed finite element method | - |
dc.subject.keywordAuthor | Poisson-Boltzmann-Nernst-Planck model | - |
dc.identifier.url | https://www.sciencedirect.com/science/article/pii/S0021999121002655?pes=vor | - |
Items in ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.
55 Hanyangdeahak-ro, Sangnok-gu, Ansan, Gyeonggi-do, 15588, Korea+82-31-400-4269 sweetbrain@hanyang.ac.kr
COPYRIGHT © 2021 HANYANG UNIVERSITY. ALL RIGHTS RESERVED.
Certain data included herein are derived from the © Web of Science of Clarivate Analytics. All rights reserved.
You may not copy or re-distribute this material in whole or in part without the prior written consent of Clarivate Analytics.