Fast multipole method for 3-D Poisson-Boltzmann equation in layered electrolyte-dielectric media
Fast multipole method for 3-D Poisson-Boltzmann equation in layered electrolyte-dielectric media
复制标题
层状电解质-介电介质中 3-D Poisson-Boltzmann 方程的快速多极方法
DOI：
10.1016/j.jcp.2021.110379
复制
发表时间：
2021-08
影响因子：
4.1
通讯作者：
Cai Wei
中科院分区：
文献类型：
--
作者：
Wang Bo;Zhang Wenzhong;Cai Wei
In this paper, we propose a fast multipole method (FMM) for 3-D linearized Poisson–Boltzmann (PB) equation in layered electrolyte-dielectric media. We will extend our previous work on FMMs for Helmholtz and Laplace equations in layered media [1],[2] to the case of electrolyte and dielectric layered media for applications arising from biophysics and colloidal fluids, such as ion channel transport and Helmholtz double layers. Two key mathematical formulas are developed for this purpose: Firstly, a Funk–Hecke formula for purely imaginary wave numbers is derived, which facilitates the derivation of multipole expansions of the potential far fields of charges in layered electrolyte-dielectric media. Secondly, a recurrence formula is constructed for run-time computations of the Sommerfeld-type integrals used in the FMM algorithm. Numerical results show that the proposed FMM for interactions of charges embedded in layered media under screened PB potentials has the same accuracy and the O (N) computational complexity as the classic FMM for charge interactions in the free space.
登录
查看更多内容
计算层状电介质/电解质介质中离子通道模型静电势的准确性和效率
影响因子：
4.1
作者：
Huimin Lin;Huazhong Tang;Wei Cai
通讯作者：
Wei Cai
DOI：
10.1016/j.jcp.2019.07.027
发表时间：
2019-11
期刊：
J. Comput. Phys.
影响因子：
--
作者：
Duan Chen;W. Cai
通讯作者：
Duan Chen;W. Cai
影响因子：
3.4
作者：
J. Zavadlav;J. Sablić;R. Podgornik;M. Praprotnik
通讯作者：
J. Zavadlav;J. Sablić;R. Podgornik;M. Praprotnik
DOI：
10.1080/09205071.2015.1129915
发表时间：
2016-02
影响因子：
1.3
作者：
K. Michalski;J. Mosig
通讯作者：
K. Michalski;J. Mosig
层状介质中 3-D 亥姆霍兹方程的快速多极子方法
影响因子：
3.1
作者：
Wang Bo;Zhang Wenzhong;Cai Wei
通讯作者：
Cai Wei