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One-dimensional non-equilibrium models of particles subjected to a coagulation-diffusion process are important in understanding non-equilibrium dynamics, and fluctuation-dissipation relation. We consider in this paper transport properties…

Statistical Mechanics · Physics 2015-06-18 Jean-Yves Fortin

The conceptual idea of degree of rate control (DRC) approaches is to identify the "rate limiting step" in a complex reaction network by evaluating how the overall rate of product formation changes when a small change is made in one of the…

Materials Science · Physics 2015-05-13 Hakim Meskine , Sebastian Matera , Matthias Scheffler , Karsten Reuter , Horia Metiu

In this article we present a new formulation and an associated algorithm for the simultaneous numerical simulation of multiple condensed phase explosives in direct contact with each other, which may also be confined by (or interacting with…

Computational Physics · Physics 2022-03-14 Riccardo Demattè , Louisa Michael , Nikolaos Nikiforakis

Stability and convergence of a time-weighted discrete scheme with nonuniform time steps are established for linear reaction-subdiffusion equations. The Caupto derivative is approximated at an offset point by using linear and quadratic…

Numerical Analysis · Mathematics 2022-01-05 Hong-lin Liao , William McLean , Jiwei Zhang

A finite-element approach based on the first-order FE 2 homogenisation technique is formulated to analyse the alkali-silica reaction-induced damage in concrete structures, by linking the concrete degradation at the macro-scale to the…

Computational Engineering, Finance, and Science · Computer Science 2020-11-17 Emil R. Gallyamov , Aurelia Isabel Cuba Ramos , Mauro Corrado , Roozbeh Rezakhani , Jean-Francois Molinari

A thermodynamic approach to rapid phase transformations within a diffuse interface in a binary system is developed. Assuming an extended set of independent thermodynamic variables formed by the union of the classic set of slow variables and…

Materials Science · Physics 2009-11-10 Peter Galenko , David Jou

Biochemical reactions can happen on different time scales and also the abundance of species in these reactions can be very different from each other. Classical approaches, such as deterministic or stochastic approach, fail to account for or…

Quantitative Methods · Quantitative Biology 2014-09-16 Arnab Ganguly , Derya Altintan , Heinz Koeppl

We consider a class of reaction-diffusion equations with a stochastic perturbation on the boundary. We show that in the limit of fast diffusion, one can rigorously approximate solutions of the system of PDEs with stochastic Neumann boundary…

Analysis of PDEs · Mathematics 2014-08-13 Wael W. Mohammed , Dirk Blömker

Recently, the problem of boundary stabilization for unstable linear constant-coefficient reaction-diffusion equation on N-balls has been solved by means of the backstepping method. However, the extension of this result to spatially-varying…

Optimization and Control · Mathematics 2016-01-11 Rafael Vazquez , Miroslav Krstic

Robust stimulated Raman exact passages are requisite for controlling nonlinear quantum systems, with the wide applications ranging from ultracold molecules, non-linear optics to superchemistry. Inspired by shortcuts to adiabaticity, we…

Quantum Gases · Physics 2021-02-16 JingJun Zhu , Xi Chen

The reaction-diffusion master equation is a stochastic model often utilized in the study of biochemical reaction networks in living cells. It is applied when the spatial distribution of molecules is important to the dynamics of the system.…

Numerical Analysis · Mathematics 2017-03-08 Stefan Hellander , Linda Petzold

The problem of simulating solid-state dewetting of thin films in three dimensions (3D) by using a sharp-interface approach is considered in this paper. Based on the thermodynamic variation, a speed method is used for calculating the first…

Soft Condensed Matter · Physics 2020-03-03 Wei Jiang , Quan Zhao , Weizhu Bao

Developments in dynamical systems theory provides new support for the macroscale modelling of pdes and other microscale systems such as Lattice Boltzmann, Monte Carlo or Molecular Dynamics simulators. By systematically resolving subgrid…

Numerical Analysis · Mathematics 2012-01-18 A. J. Roberts , Tony MacKenzie , J. E. Bunder

The reaction-diffusion master equation (RDME) is a model that allows for efficient on-lattice simulation of spatially resolved stochastic chemical kinetics. Compared to off-lattice hard-sphere simulations with Brownian Dynamics (BD) or…

Numerical Analysis · Mathematics 2017-09-06 Stefan Hellander , Andreas Hellander , Linda Petzold

Stochastic reaction-diffusion processes may be presented in terms of integrable quantum chains and can be used to describe various biological and chemical systems. Exploiting the integrability of the models one finds in some cases good…

Condensed Matter · Physics 2007-05-23 Gunter M. Schütz

We propose and study a one-dimensional model which consists of two cross-diffusion systems coupled via a moving interface. The motivation stems from the modelling of complex diffusion processes in the context of the vapor deposition of thin…

Analysis of PDEs · Mathematics 2024-07-23 Clément Cancès , Jean Cauvin-Vila , Claire Chainais-Hillairet , Virginie Ehrlacher

We develop an immersed-boundary approach to modeling reaction-diffusion processes in dispersions of reactive spherical particles, from the diffusion-limited to the reaction-limited setting. We represent each reactive particle with a…

Numerical Analysis · Mathematics 2015-06-16 A. Pal Singh Bhalla , B. E. Griffith , N. A. Patankar , A. Donev

In complex materials, numerous intertwined phenomena underlie the overall response at macroscale. These phenomena can pertain to different engineering fields (mechanical , chemical, electrical), occur at different scales, can appear as…

Materials Science · Physics 2016-06-15 Pierre Jehel

In this article we deduce a mathematical model of Maxwell-Stefan type for a reactive mixture of polyatomic gases with a continuous structure of internal energy. The equations of the model are derived in the diffusive limit of a kinetic…

Analysis of PDEs · Mathematics 2019-11-18 Benjamin Anwasia , Marzia Bisi , Francesco Salvarani , Ana Jacinta Soares

The potential for multistationarity, or the existence of steady-state multiplicity, in the Earth System raises concerns that the planet could reach a climatic `tipping point,' rapidly transitioning to a warmer steady-state from which…

Dynamical Systems · Mathematics 2025-03-07 Noel T. Fortun , Angelyn R. Lao , Eduardo R. Mendoza , Luis F. Razon
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