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We present a soft-potential-enhanced Poisson-Boltzmann (SPB) theory to efficiently capture ion distributions and electrostatic potential around rodlike charged macromolecules. The SPB model is calibrated with a coarse-grained particle-based…

软凝聚态物质 · 物理学 2022-06-07 Hossein Vahid , Alberto Scacchi , Xiang Yang , Tapio Ala-Nissila , Maria Sammalkorpi

The pseudopotential lattice Boltzmann method (LBM) is a prominent approach for simulating multiphase flows, valued for its physical intuitiveness and computational tractability. However, existing immiscible pseudopotential methods for…

流体动力学 · 物理学 2026-03-02 Yizhong Chen , Zhibin Wang

We study the boundary layer solution to singular perturbation problems involving Poisson-Boltzmann (PB) type equations with a small parameter $\epsilon$ in general bounded smooth domains (including multiply connected domains) under the…

偏微分方程分析 · 数学 2025-06-27 Jhih-Hong Lyu , Tai-Chia Lin

We describe a method to simulate the dynamics of charged colloidal particles suspended in a liquid containing dissociated ions and salt ions. Regimes of prime current interest are those of large volume fraction of colloids, highly charged…

软凝聚态物质 · 物理学 2008-01-28 J. Dobnikar , D. Haložan , M. Brumen , H. -H. von Grünberg , R. Rzehak

We extend the technique of using the Trapezoidal Rule for efficient evaluation of the Special Functions of Mathematical Physics given by integral representations. This technique was recently used for Bessel functions, and here we treat…

数值分析 · 数学 2016-03-08 Charles Schwartz

In this work, we are interested in solving large linear systems stemming from the Extra-Membrane-Intra (EMI) model, which is employed for simulating excitable tissues at a cellular scale. After setting the related systems of partial…

数值分析 · 数学 2023-08-24 Pietro Benedusi , Paola Ferrari , Marie Rognes , Stefano Serra-Capizzano

We present a 3D finite element solver for the nonlinear Poisson-Nernst-Planck (PNP) equations for electrodiffusion, coupled to the Stokes system of fluid dynamics. The model serves as a building block for the simulation of macromolecule…

Coupled-mode systems are used in physical literature to simplify the nonlinear Maxwell and Gross-Pitaevskii equations with a small periodic potential and to approximate localized solutions called gap solitons by analytical expressions…

偏微分方程分析 · 数学 2009-11-13 Dmitry Pelinovsky , Guido Schneider

We study the Electrical Impedance Tomography Bayesian inverse problem for recovering the conductivity given noisy measurements of the voltage on some boundary surface electrodes. The uncertain conductivity depends linearly on a countable…

数值分析 · 数学 2023-06-16 Quang Huy Pham , Viet Ha Hoang

The Poisson-Boltzmann (PB) theory is widely used to depict ionic systems. As a mean-field theory, the PB theory neglects the correlation effect in the ionic atmosphere and leads to deviations from experimental results as the concentration…

软凝聚态物质 · 物理学 2019-06-25 Mao Su , Zhijie Xu , Yanting Wang

An iterative scheme can be used to find a steady-state solution to the Boltzmann equation, however, it is very slow to converge in the near-continuum flow regime. In this paper, a synthetic iterative scheme is developed to speed up the…

计算物理 · 物理学 2017-04-05 Lei Wu , Jun Zhang , Haihu Liu , Yonghao Zhang , Jason Reese

In this work, we propose a reduced basis method for efficient solution of parametric linear systems. The coefficient matrix is assumed to be a linear matrix-valued function that is symmetric and positive definite for admissible values of…

数值分析 · 数学 2021-09-28 Antti Autio , Antti Hannukainen

Multiperforated plates exhibit high gradients and a loss of regularity concentrated in a boundary layer for which a direct numerical simulation becomes very expensive. For elliptic equations the solution at some distance of the boundary is…

偏微分方程分析 · 数学 2024-08-22 Kersten Schmidt , Sven Pfaff

A new protocol for linearization of the Poisson-Boltzmann equation is proposed and the resultant electrostatic equation coincides formally with the Debye-Huckel equation, the solution of which is well known for many electrostatic problems.…

化学物理 · 物理学 2014-10-28 R. Tsekov

This paper provides a rigorous analysis of boundary element methods for the magnetic field integral equation on Lipschitz polyhedra. The magnetic field integral equation is widely used in practical applications to model electromagnetic…

数值分析 · 数学 2024-09-12 Van Chien Le , Kristof Cools

This paper presents a grid-free simulation algorithm for the fully three-dimensional Vlasov--Poisson system for collisionless electron plasmas. We employ a standard particle method for the numerical approximation of the distribution…

数值分析 · 数学 2020-03-06 Torsten Keßler , Sergej Rjasanow , Steffen Weißer

We study numerical integration by combining the trapezoidal rule with a M\"obius transformation that maps the unit circle onto the real line. We prove that the resulting transformed trapezoidal rule attains the optimal rate of convergence…

数值分析 · 数学 2026-03-11 Yuya Suzuki , Nuutti Hyvönen , Toni Karvonen

We propose a novel Hermite-Taylor correction function method to handle embedded boundary and interface conditions for Maxwell's equations. The Hermite-Taylor method evolves the electromagnetic fields and their derivatives through order $m$…

数值分析 · 数学 2025-04-15 Yann-Meing Law , Daniel Appelö , Thomas Hagstrom

This paper describes a mixed direct-iterative method for boundary integral formulations of dielectric solvation models. We give an example for which a direct solution at thermal accuracy is nontrivial and for which Gauss-Seidel iteration…

chem-ph · 物理学 2008-02-03 S. A. Corcelli , J. D. Kress , L. R. Pratt , G. J. Tawa

We present a simple modification of the direct-forcing immersed boundary method (IBM) proposed by Uhlmann [J. Comput. Phys, 2005] in order to enable it to be applied to particulate flows with solid-to-fluid density ratios around unity. The…

流体动力学 · 物理学 2023-06-21 Manuel Garcia-Villalba , Blanca Fuentes , Jan Dusek , Manuel Moriche , Markus Uhlmann