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Chemical reactions involve the movement of charges, and this work presents a mathematical model for describing chemical reactions in electrolytes. The model is developed using an energy variational method that aligns with classical…

Chemical Physics · Physics 2023-11-02 Shixin Xu , Robert Eisenberg , Zilong Song , Huaxiong Huang

This paper aims to establish a first general error estimate for numerical approximations of the system of reaction-diffusion equations (SRDEs), using reasonable regularity assumptions on the exact solutions. We employ the gradient…

Analysis of PDEs · Mathematics 2025-01-24 Yahya Alnashri

Quantum Molecular Dynamics models (QMD) are Monte Carlo approaches targeted at the description of nucleon-ion and ion-ion collisions. We have developed a QMD code, which has been used for the simulation of the fast stage of ion-ion…

A quantum molecular model for fermions is investigated which works with antisymmetrized many-body states composed of localized single-particle wave packets. The application to the description of atomic nuclei and collisions between them…

Nuclear Theory · Physics 2009-10-30 H. Feldmeier , J. Schnack

The linear response of an isolated, homogeneous granular fluid to small spatial perturbations is studied by methods of non-equilibrium statistical mechanics. The long wavelength linear hydrodynamic equations are obtained, with formally…

Soft Condensed Matter · Physics 2009-11-11 James Dufty , Aparna Baskaran , J. Javier Brey

The accurate and robust simulation of transcritical real-fluid flows is crucial for many engineering applications. Diffused interface methods are frequently employed and several numerical schemes have been developed for simulating…

Fluid Dynamics · Physics 2017-12-08 Peter C. Ma , Hao Wu , Daniel T. Banuti , Matthias Ihme

Solvation is a notoriously difficult and nagging problem for the rigorous theoretical description of chemistry in the liquid phase. Successes and failures of various approaches ranging from implicit solvation modeling through dielectric…

Chemical Physics · Physics 2020-04-01 Gregor N. Simm , Paul L. Türtscher , Markus Reiher

We consider a one-dimensional kinetic model of granular media in the case where the interaction potential is quadratic. Taking advan- tage of a simple first integral, we can use a reformulation (equivalent to the initial kinetic model for…

Analysis of PDEs · Mathematics 2015-06-19 Martial Agueh , Guillaume Carlier

The algebraic geometric approach to $N$-component systems of nonlinear integrable PDE's is used to obtain and analyze explicit solutions of the coupled KdV and Dym equations. Detailed analysis of soliton fission, kink to anti-kink…

Pattern Formation and Solitons · Physics 2015-06-26 Mark S. Alber , Gregory G. Luther , Charles A. Miller

The nucleation of crystals in liquids is one of nature's most ubiquitous phenomena, playing an important role in areas such as climate change and the production of drugs. As the early stages of nucleation involve exceedingly small time and…

Model reduction methods are relevant when the computation time of a full convection-diffusion-reaction simulation based on detailed chemical reaction mechanisms is too large. In this article, we review a model reduction approach based on…

Computational Physics · Physics 2014-05-20 Dirk Lebiedz , Jochen Siehr

In this paper, we investigate the existence and finite-time blow-up for the solution of a reaction-diffusion system of semilinear stochastic partial differential equations (SPDEs) subjected to a two-dimensional fractional Brownian motion…

Analysis of PDEs · Mathematics 2024-05-28 S. Sankar , Manil T. Mohan , S. Karthikeyan

A method to construct the exact solution of the PDE is presents, which combines the two kind methods(the nonlinear transformation and RQ(Reduction the PDE to a Quadrature problem) method).The nonlinear diffusion equation is chosen to…

Chaotic Dynamics · Physics 2007-05-23 Yang Lei , Liu Jianbin , Yang Kongqing

Many important applications are available for nonlinear reaction-diffusion equation especially in the area of biology and engineering. Therefore a mathematical model for Lie symmetry reduction of system of nonlinear reaction-diffusion…

Mathematical Physics · Physics 2007-05-23 Sanjeev Kumar , Ravendra Singh

Many cellular and subcellular biological processes can be described in terms of diffusing and chemically reacting species (e.g. enzymes). Such reaction-diffusion processes can be mathematically modelled using either deterministic…

Biological Physics · Physics 2015-06-26 Radek Erban , S. Jonathan Chapman

Simulating complex physical systems is crucial for understanding and predicting phenomena across diverse fields, such as fluid dynamics and heat transfer, as well as plasma physics and structural mechanics. Traditional approaches rely on…

Reduced order modeling has gained considerable attention in recent decades owing to the advantages offered in reduced computational times and multiple solutions for parametric problems. The focus of this manuscript is the application of…

Numerical Analysis · Mathematics 2018-11-21 Gianluigi Rozza , Haris Malik , Nicola Demo , Marco Tezzele , Michele Girfoglio , Giovanni Stabile , Andrea Mola

We consider a class of growth models and models of turbulence based on the randomly stirred fluid. The similarity between the predictions of these models, noted a decade earlier, is understood on the basis of a stochastic quantization…

Statistical Mechanics · Physics 2007-05-23 Himadri S. Samanta , J. K. Bhattacharjee , D. Gangopadhyay

This article presents a multi-physics methodology for the numerical simulation of physical systems that involve the non-linear interaction of multi-phase reactive fluids and elastoplastic solids, inducing high strain-rates and high…

Computational Physics · Physics 2021-06-04 Tim Wallis , Philip T. Barton , Nikolaos Nikiforakis

Basic problems of the semiclassical microscopic modelling of strongly interactingsystems are discussed within the framework of Quantum Molecular Dynamics (QMD). This model allows to study the influence of several types of nucleonic…

Nuclear Theory · Physics 2014-11-18 C. Hartnack , Rajeev K. Puri , J. Aichelin , J. Konopka , S. A. Bass , H. Stoecker , W. Greiner