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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…

Soft Condensed Matter · Physics 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…

Fluid Dynamics · Physics 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…

Analysis of PDEs · Mathematics 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…

Soft Condensed Matter · Physics 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…

Numerical Analysis · Mathematics 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…

Numerical Analysis · Mathematics 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…

Computational Physics · Physics 2017-04-05 Gregor Mitscha-Baude , Andreas Buttinger-Kreuzhuber , Gerhard Tulzer , Clemens Heitzinger

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…

Analysis of PDEs · Mathematics 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…

Numerical Analysis · Mathematics 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…

Soft Condensed Matter · Physics 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…

Computational Physics · Physics 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…

Numerical Analysis · Mathematics 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…

Analysis of PDEs · Mathematics 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.…

Chemical Physics · Physics 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…

Numerical Analysis · Mathematics 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…

Numerical Analysis · Mathematics 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…

Numerical Analysis · Mathematics 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 $m$…

Numerical Analysis · Mathematics 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 · Physics 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…

Fluid Dynamics · Physics 2023-06-21 Manuel Garcia-Villalba , Blanca Fuentes , Jan Dusek , Manuel Moriche , Markus Uhlmann
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