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Classical thermodynamics and statistical mechanics describe systems in which nothing interacts with nothing. Even the highly refined theory of simple fluids does not deal very well with electrical interactions, boundary conditions, or…

Other Quantitative Biology · Quantitative Biology 2012-08-31 Bob Eisenberg

We present a robust scheme for solving the electrokinetic equations. This goal is achieved by combining the lattice-Boltzmann method (LB) with a discrete solution of the convection-diffusion equation for the different charged and neutral…

Statistical Mechanics · Physics 2009-11-10 Fabrizio Capuani , Ignacio Pagonabarraga , Daan Frenkel

The Poisson equation is critical to get a self-consistent solution in plasma fluid simulations used for Hall effect thrusters and streamer discharges, since the Poisson solution appears as a source term of the unsteady nonlinear flow…

Machine Learning · Computer Science 2021-11-18 Lionel Cheng , Ekhi Ajuria Illarramendi , Guillaume Bogopolsky , Michael Bauerheim , Benedicte Cuenot

The biomolecules in and around a living cell -- proteins, nucleic acids, lipids, carbohydrates -- continuously sample myriad conformational states that are thermally accessible at physiological temperatures. Simultaneously, a given…

Biomolecules · Quantitative Biology 2014-07-15 Cameron Mura , Charles E. McAnany

We demonstrate that with two small modifications, the popular dielectric continuum model is capable of predicting, with high accuracy, ion solvation thermodynamics in numerous polar solvents, and ion solvation free energies in…

We deal with a three dimensional model based on the use of barycentric velocity that describes unsteady flows of a heat conducting electrically charged multicomponent chemically reacting non-Newtonian fluid. We show that under certain…

Analysis of PDEs · Mathematics 2018-03-06 Miroslav Bulíček , Milan Pokorný , Nicola Zamponi

We study the adsorption-desorption transition of polyelectrolyte chains onto planar, cylindrical and spherical surfaces with arbitrarily high surface charge densities by massive Monte Carlo computer simulations. We examine in detail how the…

Soft Condensed Matter · Physics 2016-10-05 Sidney J. de Carvalho , Ralf Metzler , Andrey G. Cherstvy

We investigate the weak solvability of initial boundary value problems associated with an ecosystem model of the marine phosphorus cycle. The analysis covers the model equations themselves as well as their linearization which is important…

Analysis of PDEs · Mathematics 2015-08-25 Christina Roschat , Thomas Slawig

Recent measurements of microsphere interactions in diverse media suggest that the standard dielectric-continuum models of solution-phase interactions are fundamentally incomplete. Experiments indicate that the interactions of charged…

Soft Condensed Matter · Physics 2026-05-12 Ali Behjatian , Madhavi Krishnan

A previously-developed hybrid particle-continuum method [J. B. Bell, A. Garcia and S. A. Williams, SIAM Multiscale Modeling and Simulation, 6:1256-1280, 2008] is generalized to dense fluids and two and three dimensional flows. The scheme…

Soft Condensed Matter · Physics 2009-10-22 A. Donev , J. B. Bell , A. L. Garcia , B. J. Alder

We perform a coarse-graining analysis of the paradigmatic active matter model, Active Brownian Particles, yielding a continuum description in terms of balance laws for mass, linear and angular momentum, and energy. The derivation of the…

Soft Condensed Matter · Physics 2019-04-30 Jeffrey M. Epstein , Katherine Klymko , Kranthi K. Mandadapu

Next-generation lithium-ion batteries with silicon anodes have positive characteristics due to higher energy densities compared to state-of-the-art graphite anodes. However, the large volume expansion of silicon anodes can cause high…

Numerical Analysis · Mathematics 2024-04-03 R. Schoof , G. F. Castelli , W. Dörfler

We propose a new binary classification model called Phase Separation Binary Classifier (PSBC). It consists of a discretization of a nonlinear reaction-diffusion equation coupled with an Ordinary Differential Equation, and is inspired by…

Machine Learning · Statistics 2021-09-21 Rafael Monteiro

Electrohydrodynamic flows of weak electrolytes at the nanoscale are significantly influenced by the molecular structure of water-like polar solvents within the electric double layer (EDL). Moreover, unlike in microfluidics, at these length…

Fluid Dynamics · Physics 2026-03-16 Pramodt Srinivasula

The aim of the present review is to introduce the reader to some of the physical notions and of the mathematical methods that are relevant to the study of nonlinear waves in Bose-Einstein Condensates (BECs). Upon introducing the general…

Other Condensed Matter · Physics 2010-12-10 R. Carretero-Gonzalez , D. J. Frantzeskakis , P. G. Kevrekidis

We consider a model of cell motion with boundary signal production which describes some aspects of eukaryotic cell migration. Generic polarity markers located in the cell are transported by actin which they help to polymerize. This leads to…

Analysis of PDEs · Mathematics 2025-04-30 Nicolas Meunier , Philippe Souplet

The manner in which electrolyte solutions respond to electric fields is crucial to understanding the behavior of these systems both at, and away from, equilibrium. The present formulation of linear response theory for such systems is…

Statistical Mechanics · Physics 2020-05-21 Stephen J. Cox , Michiel Sprik

The Blackstock-Crighton equation models nonlinear acoustic wave propagation in thermo-viscous fluids. In the present work we investigate the associated inhomogeneous Dirichlet and Neumann boundary value problems in a bounded domain and…

Analysis of PDEs · Mathematics 2015-06-10 Rainer Brunnhuber , Stefan Meyer

We consider a coupled bulk/surface model for advection and diffusion of interacting chemical species in biological cells. Specifically, we consider a signalling protein that can exist in both a cytosolic and a membrane-bound state, along…

Analysis of PDEs · Mathematics 2016-06-01 Keith Anguige , Matthias Röger

Continuum electrolyte models represent a practical tool to account for the presence of the diffuse layer at electrochemical interfaces. However, despite the increasing popularity of these in the field of materials science it remains unclear…

Computational Physics · Physics 2019-01-18 Francesco Nattino , Matthew Truscott , Nicola Marzari , Oliviero Andreussi