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A model for corrosion-induced cracking of reinforced concrete subjected to non-uniform chloride-induced corrosion is presented. The gradual corrosion initiation of the steel surface is investigated by simulating chloride transport…

Computational Engineering, Finance, and Science · Computer Science 2023-12-12 E. Korec , M. Jirasek , H. S. Wong , E. Martínez-Pañeda

We study the reaction front for the process A+B -> C in which the reagents move subdiffusively. Our theoretical description is based on a fractional reaction-subdiffusion equation in which both the motion and the reaction terms are affected…

Statistical Mechanics · Physics 2007-05-23 S. B. Yuste , L. Acedo , Katja Lindenberg

We study theoretically and numerically the steady state diffusion controlled reaction $A+B\rightarrow\emptyset$, where currents $J$ of $A$ and $B$ particles are applied at opposite boundaries. For a reaction rate $\lambda$, and equal…

Condensed Matter · Physics 2009-10-28 G. T. Barkema , M. J. Howard , J. L. Cardy

Resonantly-forced oscillatory reaction-diffusion systems can exhibit fronts with complicated interfacial structure separating phase-locked homogeneous states. For values of the forcing amplitude below a critical value the front "explodes"…

Pattern Formation and Solitons · Physics 2009-11-11 Jörn Davidsen , Alexander Mikhailov , Raymond Kapral

We simulate the melting of a 71 A diameter cluster of Cu. At low temperatures the crystal exhibits facets. With increasing temperatures the open facets pre-melt, the melted regions coalesce into a liquid envelope containing a crystalline…

Condensed Matter · Physics 2015-06-25 Ole H. Nielsen , James P. Sethna , Per Stoltze , Karsten W. Jacobsen , Jens K. Norskov

The phase transition of the one-dimensional, diffusive pair contact process (PCPD) is investigated by N cluster mean-field approximations and high precision simulations. The N=3,4 cluster approximations exhibit smooth transition line to…

Statistical Mechanics · Physics 2009-11-07 Geza Odor

We study a model of corrosion and passivation of a metalic surface in contact with a solution using scaling arguments and simulation. The passive layer is porous so that the metal surface is in contact with the solution. The volume excess…

Materials Science · Physics 2009-11-11 Fabio D. A. Aarao Reis , Janusz Stafiej

Chloride-induced corrosion significantly contributes to the degradation of reinforced concrete structures, making accurate predictions of chloride migration and its effects on material durability critical. This paper explores two modeling…

Computational Engineering, Finance, and Science · Computer Science 2024-11-26 A. Potnis , M. Macier , T. Leusmann , D. Anton , H. Wessels , D. Lowke

A multi-phase-field model for the description of the discontinuous precipitation reaction is formulated which takes into account surface diffusion along grain boundaries and interfaces as well as volume diffusion. Simulations reveal that…

Materials Science · Physics 2008-09-04 Lynda Amirouche , Mathis Plapp

We have studied front dynamics for the discrete $A+A \leftrightarrow A$ reaction-diffusion system, which in the continuum is described by the (stochastic) Fisher-Kolmogorov-Petrovsky-Piscunov equation. We have revisited this discrete model…

Statistical Mechanics · Physics 2023-11-30 B. G. Barreales , J. J. Melendez , R. Cuerno , J. J. Ruiz-Lorenzo

This work overviews a new, recent success of phase-field modelling: its application to predicting the evolution of the corrosion front and the associated structural integrity challenges. Despite its important implications for society,…

Chemical Physics · Physics 2024-06-24 E. Martínez-Pañeda

We show that propagation speeds in invasion processes modeled by reaction-diffusion systems are determined by marginal spectral stability conditions, as predicted by the marginal stability conjecture. This conjecture was recently settled in…

Analysis of PDEs · Mathematics 2023-10-24 Montie Avery

Extensive numerical simulation are reported for the structure and dynamics of large clusters on metal(100) surfaces. Different types of perimeter hopping processes makes center-of-mass of the cluster to follow a a random walk trajectory.…

Statistical Mechanics · Physics 2007-05-23 J. R. Sanchez

Perovskite solid solutions PbHfO3-PbSnO3 offer valuable opportunities for studying the formation mechsnisms of incommensurate phases, owing to the presence of an intermediate (between cubic and incommensurate) phase, which is stabilized in…

Multicomponent alloying has displayed extraordinary potential for producing exceptional structural and functional materials. However, the synthesis of single-phase, multi-principal covalent compounds remains a challenge. Here we present a…

Laboratory and numerical corrosion experiments impose an electric potential on the metal surface, differing from natural corrosion conditions, where corrosion typically occurs in the absence of external current sources. In this work, we…

Chemical Physics · Physics 2023-05-23 Tim Hageman , Carmen Andrade , Emilio Martínez-Pañeda

We study the diffusion-limited process $A+A\to A$ in one dimension, with finite reaction rates. We develop an approximation scheme based on the method of Inter-Particle Distribution Functions (IPDF), which was formerly used for the exact…

Condensed Matter · Physics 2016-08-31 Dexin Zhong , Daniel ben-Avraham

For the classical reaction diffusion equation, the priori speed of fronts is determined exactly in the pioneering paper (R.D. Benguria and M.C. Depassier, {\em Commun. Math. Phys.} 175:221--227, 1996) by variational characterization method.…

Analysis of PDEs · Mathematics 2020-06-24 Tianyuan Xu , Shanming Ji , Ming Mei , Jingxue Yin

Properties of reaction zones resulting from A+B -> C type reaction-diffusion processes are investigated by analytical and numerical methods. The reagents A and B are separated initially and, in addition, there is an initial macroscopic…

Other Condensed Matter · Physics 2009-11-11 Ioana Bena , Michel Droz , Kirsten Martens , Zoltan Racz

A combination of reaction-diffusion models with moving-boundary problems yields a system in which the diffusion (spreading and penetration) and reaction (transformation) evolve the system's state and geometry over time. These systems can be…

Computational Engineering, Finance, and Science · Computer Science 2020-08-26 Mojtaba Barzegari , Liesbet Geris
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