EFFICIENT GENERATION OF MEMBRANE AND SOLVENT TETRAHEDRAL MESHES FOR ION CHANNEL FINITE ELEMENT CALCULATION
文献类型：期刊论文
| 作者 | Chao, Zhen; Gui, Sheng; Lu, Benzhuo; Xie, Dexuan |
| 刊名 | INTERNATIONAL JOURNAL OF NUMERICAL ANALYSIS AND MODELING
 |
| 出版日期 | 2022 |
| 卷号 | 19期号:6页码:887-906 |
| 关键词 | Finite element method Poisson-Nernst-Planck equations ion channel membrane mesh generation tetrahedral mesh |
| ISSN号 | 1705-5105 |
| 英文摘要 | A finite element solution of an ion channel dielectric continuum model such as Poisson-Boltzmann equation (PBE) and a system of Poisson-Nernst-Planck equations (PNP) requires tetrahedral meshes for an ion channel protein region, a membrane region, and an ionic solvent region as well as an interface fitted irregular tetrahedral mesh of a simulation box domain. However, generating these meshes is very difficult and highly technical due to the related three regions having very complex geometrical shapes. Currently, an ion channel mesh generation software package developed in Lu's research group is the only one available in the public domain. To significantly improve its mesh quality and computer performance, in this paper, new numerical schemes for generating membrane and solvent meshes are presented and implemented in Python, resulting in a new ion channel mesh generation software package. Numerical results are then reported to demonstrate the efficiency of the new numerical schemes and the quality of meshes generated by the new package for ion channel proteins with ion channel pores having different geometric complexities. |
| 资助项目 | Simons Foundation, USA[711776] ; National Natural Science Foundation of China[11771435] ; National Natural Science Foundation of China[22073110] ; 2021 AMS-Simons Travel Grant, USA |
| WOS研究方向 | Mathematics |
| 语种 | 英语 |
| WOS记录号 | WOS:000850154200008 |
| 出版者 | ISCI-INST SCIENTIFIC COMPUTING & INFORMATION |
| 源URL | [http://ir.amss.ac.cn/handle/2S8OKBNM/60989]  |
| 专题 | 中国科学院数学与系统科学研究院 |
| 通讯作者 | Xie, Dexuan |
| 作者单位 | 1.Chinese Acad Sci, Acad Math & Syst Sci, Inst Syst Sci, Key Lab Syst & Control,LSEC,NCMIS, Beijing 100190, Peoples R China 2.Univ Chinese Acad Sci, Sch Math Sci, Beijing 100049, Peoples R China 3.Univ Michigan, Dept Math, Ann Arbor, MI 48109 USA |
| 推荐引用方式 GB/T 7714 | Chao, Zhen,Gui, Sheng,Lu, Benzhuo,et al. EFFICIENT GENERATION OF MEMBRANE AND SOLVENT TETRAHEDRAL MESHES FOR ION CHANNEL FINITE ELEMENT CALCULATION[J]. INTERNATIONAL JOURNAL OF NUMERICAL ANALYSIS AND MODELING,2022,19(6):887-906. |
| APA | Chao, Zhen,Gui, Sheng,Lu, Benzhuo,&Xie, Dexuan.(2022).EFFICIENT GENERATION OF MEMBRANE AND SOLVENT TETRAHEDRAL MESHES FOR ION CHANNEL FINITE ELEMENT CALCULATION.INTERNATIONAL JOURNAL OF NUMERICAL ANALYSIS AND MODELING,19(6),887-906. |
| MLA | Chao, Zhen,et al."EFFICIENT GENERATION OF MEMBRANE AND SOLVENT TETRAHEDRAL MESHES FOR ION CHANNEL FINITE ELEMENT CALCULATION".INTERNATIONAL JOURNAL OF NUMERICAL ANALYSIS AND MODELING 19.6(2022):887-906. |
入库方式： OAI收割
来源：数学与系统科学研究院
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