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Predicting the evolving microstructure of hydrating cement is essential for understanding and modeling its mechanical property development. Physics-based continuum approaches offer a rigorous framework for capturing the thermodynamics of…

Materials Science · Physics 2026-03-31 Alexandre Sac-Morane , Katerina Ioannidou , Manolis Veveakis , Hadrien Rattez

We propose a thermodynamically consistent general-purpose model describing diffusion of a solute or a fluid in a solid undergoing possible phase transformations and damage, beside possible visco-inelastic processes. Also heat…

Mathematical Physics · Physics 2015-10-28 Tomas Roubicek , Giuseppe Tomassetti

We have numerically investigated a reaction-diffusion model for the hydration of calciumsulphate (gypsum). The simulations were conducted for two and three dimensional systems. While the dissolution of anhydrous gypsum is considered…

Materials Science · Physics 2007-05-23 F. Tzschichholz , H. J. Herrmann

The dynamics of ecological as well as chemical systems may depend on heterogeneous configurations. Heterogeneity in reaction-diffusion systems often increase modelling and simulating difficulties when non-linear effects are present. One…

Physics and Society · Physics 2019-08-27 Orlando Silva

Computational models are used here for simulating diffusion-controlled redistribution of hydrogen that is picked up by zirconium-base nuclear fuel cladding during light water reactor operation. Axial localization of hydrogen, leading to…

Materials Science · Physics 2025-10-22 Lars O. Jernkvist , Ali R. Massih

A hydrogeological model for the spread of pollution in an aquifer is considered. The model consists in a convection-diffusion-reaction equation involving the dispersion tensor which depends nonlinearly of the fluid velocity. We introduce an…

Numerical Analysis · Mathematics 2020-06-05 Éloïse Comte

A thermodynamically consistent mathematical model for hydrogen adsorption in metal hydrides is proposed. Beside hydrogen diffusion, the model accounts for phase transformation accompanied by hysteresis, swelling, temperature and heat…

Mathematical Physics · Physics 2013-09-13 Tomas Roubicek , Giuseppe Tomassetti

The exact solution of a diffusion$-$reaction model for the trapping and annihilation of positrons in small extended spherical defects (clusters, voids, small precipitates) with competitive rate-limited trapping in vacancy-type point defects…

Materials Science · Physics 2019-04-24 Roland Würschum , Laura Resch , Gregor Klinser

A system of diffusion-reaction equations coupled with a dissolution-precipitation model is discussed. We start by introducing a microscale model together with its homogenized version. In the present paper, we first derive the corrector…

Analysis of PDEs · Mathematics 2023-09-27 Nibedita Ghosh , Hari Shankar Mahato

We explore the homogenization limit and rigorously derive upscaled equations for a microscopic reaction-diffusion system modeling sulfate corrosion in sewer pipes made of concrete. The system, defined in a periodically-perforated domain, is…

Analysis of PDEs · Mathematics 2010-11-29 Tasnim Fatima , Adrian Muntean

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

The restructuring process of diagenesis in the sedimentary rocks is studied using a percolation type model. The cementation and dissolution processes are modeled by the culling of occupied sites in rarefied and growth of vacant sites in…

Soft Condensed Matter · Physics 2009-11-07 S. S. Manna , T. Datta , R. Karmakar , S. Tarafdar

We formulate a model for the dynamic growth of a membrane developing in a flow as the result of a precipitation reaction, a situation inspired by recent microfluidic experiments. The precipitating solid introduces additional forces on the…

Fluid Dynamics · Physics 2020-03-18 P. S. Eastham , M. N. J. Moore , N. G. Cogan , Q. Wang , O. Steinbock

A mathematical model is developed that captures the transport of liquid water in hardened concrete, as well as the chemical reactions that occur between the imbibed water and the residual calcium silicate compounds residing in the porous…

Computational Engineering, Finance, and Science · Computer Science 2009-08-12 Michael Chapwanya , Wentao Liu , John M. Stockie

This work propose an application of the concept of fluctuating diffusivity to the diffusion of gas molecules in cementitious materials, particularly through a two-state fluctuating diffusivity (2SFD) model. The 2SFD model is utilized to…

Soft Condensed Matter · Physics 2023-11-28 Fumiaki Nakai , Takato Ishida

This paper treats the solvability of a semilinear reaction-diffusion system, which incorporates transport (diffusion) and reaction effects emerging from two separated spatial scales: $x$ - macro and $y$ - micro. The system's origin connects…

Analysis of PDEs · Mathematics 2012-02-10 Tasnim Fatima , Adrian Muntean , Toyohiko Aiki

In this paper we employ homogenization techniques to provide a rigorous derivation of the Darcy scale model for precipitation and dissolution in porous media proposed in [19]. The starting point is the pore scale model in [12], which is a…

Analysis of PDEs · Mathematics 2014-01-29 Kundan Kumar , Maria Neuss-Radu , Iuliu Sorin Pop

We study reaction-diffusion processes with multi-species of particles and hard-core interaction. We add boundary driving to the system by means of external reservoirs which inject and remove particles, thus creating stationary currents. We…

Mathematical Physics · Physics 2023-08-16 Francesco Casini , Cristian Giardina , Cecilia Vernia

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

In modelling sediment compaction and mineral reactions, the rheological behaviour of sediments is typically considered as poroelastic or purely viscous. In fact, compaction due to pressure solution and mechanical processes in porous media…

Geophysics · Physics 2015-05-18 Xin-She Yang
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