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The description of surface-diffusion controlled dynamics via the phase-field method is less trivial than it appears at first sight. A seemingly straightforward approach from the literature is shown to fail to produce the correct…

Computational Physics · Physics 2017-03-13 Clemens Mueller-Gugenberger , Robert Spatschek , Klaus Kassner

We introduce a simplified technique for incorporating diffusive phenomena into lattice-gas molecular dynamics models. In this method, spatial interactions take place one dimension at a time, with a separate fractional timestep devoted to…

Cellular Automata and Lattice Gases · Physics 2007-05-23 Raissa M. D'Souza , Norman H. Margolus , Mark A. Smith

Morphogenesis, the establishment and repair of emergent complex anatomy by groups of cells, is a fascinating and biomedically-relevant problem. One of its most fascinating aspects is that a developing embryo can reliably recover from…

Molecular Networks · Quantitative Biology 2022-11-03 Joel Grodstein , Michael Levin

It has long been asserted that proteins like transcription factors may locate their target in DNA sequences at rates that surpass by several orders of magnitude the three-dimensional diffusion limit thank to facilitated diffusion, that is…

Biological Physics · Physics 2010-09-27 Ana-Maria Florescu , Marc Joyeux

Asymptotics-based configuration-interaction (CI) methods [G. Friesecke and B. D. Goddard, Multiscale Model. Simul. 7, 1876 (2009)] are a class of CI methods for atoms which reproduce, at fixed finite subspace dimension, the exact…

Quantum Physics · Physics 2012-04-06 Christian Mendl , Gero Friesecke

We introduce coarse-grained hydrodynamic equations of motion for diffusion-annihilation system with a power-law long-range interaction. By taking into account fluctuations of the conserved order parameter - charge density - we derive an…

Condensed Matter · Physics 2009-10-28 Valeriy V. Ginzburg , Leo Radzihovsky , Noel A. Clark

Recently, the problem of boundary stabilization for unstable linear constant-coefficient coupled reaction-diffusion systems was solved by means of the backstepping method. The extension of this result to systems with advection terms and…

Optimization and Control · Mathematics 2016-03-17 Rafael Vazquez , Miroslav Krstic

Q-conditional symmetries (nonclassical symmetries) for a general class of two-component reaction-diffusion systems with constant diffusivities are studied. Using the recently introduced notion of Q-conditional symmetries of the first type…

Mathematical Physics · Physics 2019-09-17 Roman Cherniha , Vasyl' Davydovych

Non-uniform product (color) distribution in colorimetric paper-based sensors affects the accuracy and reliability of measurements. The underlying mechanisms responsible for this are still unclear. The coffee ring effect explains the…

Fluid Dynamics · Physics 2026-03-27 Kulkarni Namratha , S. Pushpavanam

We present a problem-suited numerical method for a particularly challenging cancer invasion model. This model is a multiscale haptotaxis advection-reaction-diffusion system that describes the macroscopic dynamics of two types of cancer…

Numerical Analysis · Mathematics 2016-05-18 Niklas Kolbe , Maria Lukacova-Medvidova , Nikolaos Sfakianakis , Bettina Wiebe

We revise the encounter-based approach to imperfect diffusion-controlled reactions, which employs the statistics of encounters between a diffusing particle and the reactive region to implement surface reactions. We extend this approach to…

Statistical Mechanics · Physics 2023-10-03 Denis S. Grebenkov

In this paper, we study a parabolic reaction diffusion system with constraints that model biofilm growth. Within a unified framework encompassing multiple numerical schemes, we derive the first general convergence rates for approximating…

Numerical Analysis · Mathematics 2025-11-05 Yahya Alnashri

Reaction--diffusion mechanism are a robust paradigm that can be used to represent many biological and physical phenomena over multiple spatial scales. Applications include intracellular dynamics, the migration of cells and the patterns…

Quantitative Methods · Quantitative Biology 2021-01-01 Cameron A. Smith , Christian A. Yates

Discrete fine-scale models, in the form of either particle or lattice models, have been formulated successfully to simulate the behavior of quasi-brittle materials whose mechanical behavior is inherently connected to fracture processes…

Materials Science · Physics 2016-02-17 Roozbeh Rezakhani , Gianluca Cusatis

In this paper, a new method to efficiently simulate diffusion controlled second order chemical reactions is derived and applied to site-specific DNA-binding proteins. The protein enters a spherical cell and propagates via two competing…

Biological Physics · Physics 2009-11-11 Holger Merlitz , Konstantin V. Klenin , Chen-Xu Wu , Jörg Langowski

This paper focuses on what we call Reaction Network Cardon Dioxide Removal (RNDCR) framework to analyze several proposed negative emissions technologies (NETs) so as to determine when present-day Earth carbon cycle system would exhibit…

Systems and Control · Electrical Eng. & Systems 2024-12-24 Noel Fortun , Piolo Gaspar , Editha Jose , Angelyn Lao , Eduardo Mendoza , Luis Razon

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

We consider a class of singularly perturbed 2-component reaction-diffusion equations which admit bistable traveling front solutions, manifesting as sharp, slow-fast-slow, interfaces between stable homogeneous rest states. In many example…

Analysis of PDEs · Mathematics 2022-12-28 Paul Carter , Arjen Doelman , Kaitlynn Lilly , Erin Obermayer , Shreyas Rao

Molecular dynamics (MD) simulations can model the interactions between macromolecules with high spatiotemporal resolution but at a high computational cost. By combining high-throughput MD with Markov state models (MSMs), it is now possible…

Chemical Physics · Physics 2018-06-13 Manuel Dibak , Mauricio J. del Razo , David De Sancho , Christof Schütte , Frank Noé

A quasi-one-dimensional analytic model is proposed for the internal fluid of rotating detonation combustors (RDCs). This model uses the shock-tube model that constrains the flow to have only a longitudinal component, while admitting the…

Fluid Dynamics · Physics 2017-12-11 R. Kawashima , I. Funaki , J. Fujii , A. Matsuo , K. Ishihara , J. Kasahara