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Multiscale modelling aims to systematically construct macroscale models of materials with fine microscale structure. However, macroscale boundary conditions are typically not systematically derived, but rely on heuristic arguments,…

Dynamical Systems · Mathematics 2019-11-18 Chen Chen , A. J. Roberts , J. E. Bunder

Electrostatic forces play many important roles in molecular biology, but are hard to model due to the complicated interactions between biomolecules and the surrounding solvent, a fluid composed of water and dissolved ions. Continuum model…

Numerical Analysis · Mathematics 2015-12-29 Jaydeep P. Bardhan , Matthew G. Knepley

We present a method of deriving two boundary conditions at a thin membrane for diffusion from experimental data. This method can be really useful in complex membrane systems in which we do not know mechanisms of processes occurring within…

Statistical Mechanics · Physics 2018-08-01 Katarzyna D. Lewandowska , Tadeusz Kosztołowicz

In this paper we examine boundary effects in a fractional chemotactic equation derived from a kinetic transport model describing cell movement in response to chemical gradients (chemotaxis). Specifically, we analyze reflecting boundary…

Analysis of PDEs · Mathematics 2025-06-05 Gissell Estrada-Rodriguez , Heiko Gimperlein

The boundary conditions at the deformable interface between two contacting fluids are derived for the general case of the large-amplitude perturbations. The interface is modeled as perturbed free boundary that evolves in time, and the…

Fluid Dynamics · Physics 2018-03-13 Ivan V. Kazachkov

We construct solutions of nonlinear reaction-diffusion equations with nonlinear boundary conditions in spaces where the problem is supercritical and show the nonlinear balance required between the nonlinear terms in order to obtain a…

Analysis of PDEs · Mathematics 2012-05-22 Aníbal Rodríguez-Bernal , Alejandro Vidal-López

We introduce a non-reflecting boundary condition for the simulation of thermal flows with the lattice Boltzmann Method (LBM). We base the derivation on the locally one-dimensional inviscid analysis, and define target macroscopic values at…

Computational Physics · Physics 2024-01-24 Friedemann Klass , Alessandro Gabbana , Andreas Bartel

By considering the master equation of the partially asymmetric diffusion process on a one-dimensional lattice, the most general boundary condition (i.e. interactions) for the multi-species reaction-diffusion processes is considered.…

Statistical Mechanics · Physics 2009-11-11 M. Alimohammadi , Y. Naimi

The focus of this work is on the construction of a family of nonlinear absorbing boundary conditions for the Westervelt equation in one and two space dimensions. The principal ingredient used in the design of such conditions is…

Numerical Analysis · Mathematics 2014-08-22 Barbara Kaltenbacher , Igor Shevchenko

Modeling the chemical, electric, and thermal transport as well as phase transitions and the accompanying mesoscale microstructure evolution within a material in an electronic device setting involves the solution of partial differential…

Numerical Analysis · Mathematics 2024-09-26 Xiaofeng Xu , Lian Zhang , Yin Shi , Long-Qing Chen , Jinchao Xu

Considering the model heat conduction problem in the setting of Grad's moment equations, we demonstrate a crossover in the structure of minima of the entropy production within the boundary layer. Based on this observation, we formulate and…

Statistical Mechanics · Physics 2007-05-23 Miroslav Grmela , Iliya V. Karlin , Vladimir B. Zmievski

A slowly-varying or thin-layer multiscale assumption empowers macroscale understanding of many physical scenarios from dispersion in pipes and rivers, including beams, shells, and the modulation of nonlinear waves, to homogenisation of…

Dynamical Systems · Mathematics 2020-01-22 A. J. Roberts

Realistic examples of reaction-diffusion phenomena governing spatial and spatiotemporal pattern formation are rarely isolated systems, either chemically or thermodynamically. However, even formulations of `open' reaction-diffusion systems…

Pattern Formation and Solitons · Physics 2021-05-14 Andrew L. Krause , Václav Klika , Philip K. Maini , Denis Headon , Eamonn A. Gaffney

Interface equations are derived for both binary diffusive and binary fluid systems subjected to non-equilibrium conditions, starting from the coarse-grained (mesoscopic) models. The equations are used to describe thermo-capillary motion of…

Soft Condensed Matter · Physics 2015-06-25 Ravi Bhagavatula , David Jasnow , Takao Ohta

We study the diffusive limit approximation for a nonlinear radiative heat transfer system that arises in the modeling of glass cooling, greenhouse effects and in astrophysics. The model is considered with the reflective radiative boundary…

Analysis of PDEs · Mathematics 2021-10-12 Mohamed Ghattassi , Xiaokai Huo , Nader Masmoudi

The aim of this paper is to propose a novel methodology to deal with micro-structural boundary conditions for the analysis of granular materials. The response of the granular assembly is modelled through the discrete element method (DEM),…

Soft Condensed Matter · Physics 2017-02-27 J. Liu , E. Bosco , A. S. J. Suiker

Using a microscopic phase-space model of the membrane system, the boundary condition at a membrane is derived. According to the condition, the substance flow across the membrane is proportional to the difference of the substance…

Condensed Matter · Physics 2007-05-23 Tadeusz Kosztolowicz , Stanislaw Mrowczynski

Reaction-diffusion-advection media on semi-infinite domains are important in chemical, biological and ecological applications, yet remain a challenge for pattern formation theory. To demonstrate the rich emergence of nonlinear traveling…

Pattern Formation and Solitons · Physics 2018-08-16 Arik Yochelis

The thermal modeling of biological systems has increasing importance in developing more advanced, more precise techniques such as ultrasound surgery. One of the primary barriers is the complexity of biological materials: the geometrical,…

Classical Physics · Physics 2021-10-13 Ákos Sudár , Gergely Futaki , Róbert Kovács

In this paper we propose new boundary conditions at the hot walls with thermionic electron emission for two-temperature thermal arc models. In the derived boundary conditions the walls are assumed to be made from refractory metals and that…

Plasma Physics · Physics 2015-09-30 Leonid Pekker , Nakhlek Hussary
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