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Electrochemical cells serve as a building block for producing and storing electrical energy from chemical reactions. The analysis of ion transport in these systems forms the foundation for understanding more complex electrochemical systems…
Partial differential equations (PDEs) describing thermodynamically isolated systems typically possess conserved quantities (like mass, momentum, and energy) and dissipated quantities (like entropy). Preserving these conservation and…
We present a linear, second order fully discrete numerical scheme on a staggered grid for a thermodynamically consistent hydrodynamic phase field model of binary compressible fluid flow mixtures derived from the generalized Onsager…
Accurately predicting fluid dynamics and evolution has been a long-standing challenge in physical sciences. Conventional deep learning methods often rely on the nonlinear modeling capabilities of neural networks to establish mappings…
In this paper we propose a computational framework for the investigation of the correlated motion between positive and negative ions exposed to the attraction of a bubble surface that mimics the (oscillating) cell membrane. The correlated…
We discuss structure-preserving numerical discretizations for repulsive and attractive Euler-Poisson equations that find applications in fluid-plasma and self-gravitation modeling. The scheme is fully discrete and structure preserving in…
Maxwell-Amp\`{e}re-Nernst-Planck (MANP) equations were recently proposed to model the dynamics of charged particles. In this study, we enhance a numerical algorithm of this system with deep learning tools. The proposed hybrid algorithm…
In this paper, we propose a mass- and modified energy-conservative relaxation Crank-Nicolson finite element method for the Schr\"{o}dinger-Poisson equation. Utilizing only a single auxiliary variable, we simultaneously reformulate the…
In this paper, we investigate the correlated diffusion of two ion species governed by a Poisson-Nernst-Planck (PNP) system. Here we further validate the numerical scheme recently proposed in \cite{astuto2025asymptotic}, where a time…
In this article we address the three-dimensional modeling and simulation of biological ion channels using a continuum-based approach. Our multi-physics formulation self-consistently combines, to the best of our knowledge for the first time,…
The paper develops high-order accurate physical-constraints-preserving finite difference WENO schemes for special relativistic hydrodynamical (RHD) equations, built on the local Lax-Friedrich splitting, the WENO reconstruction, the…
In this paper, a nonuniform size modified Poisson-Boltzmann ion channel (nuSMPBIC) model is presented as a nonlinear system of an electrostatic potential and multiple ionic concentrations. It mixes nonlinear algebraic equations with a…
In this paper, we present a first-order finite element scheme for the viscoelastic electrohydrodynamic model. The model incorporates the Poisson-Nernst-Planck equations to describe the transport of ions and the Oldroyd-B constitutive model…
We propose the physics-constrained convolutional neural network (PC-CNN) to infer the high-resolution solution from sparse observations of spatiotemporal and nonlinear partial differential equations. Results are shown for a chaotic and…
This study investigates the flux ratios of ionic flows using Poisson-Nernst-Planck (PNP) models. The flux ratio measures the effect of permanent charge on the ion fluxes and can exhibit bifurcation, where a small parameter change causes a…
In this work, we numerically study linear stability of multiple steady-state solutions to a type of steric Poisson--Nernst--Planck (PNP) equations with Dirichlet boundary conditions, which are applicable to ion channels. With numerically…
In this work, we develop novel structure-preserving numerical schemes for a class of nonlinear Fokker--Planck equations with nonlocal interactions. Such equations can cover many cases of importance, such as porous medium equations with…
The Poisson-Nernst-Planck equations with generalized Frumkin-Butler-Volmer boundary conditions (PNP-FBV) describe ion transport with Faradaic reactions, and have applications in a number of fields. In this article, we develop an adaptive…
Simulation of plasmas in electromagnetic fields requires numerical solution of a kinetic equation that describes the time evolution of the particle distribution function. In this paper we propose a finite volume scheme based on integral…
Modeling of biomolecular systems plays an essential role in understanding biological processes, such as ionic flow across channels, protein modification or interaction, and cell signaling. The continuum model described by the…