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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

Droplet evaporation has been intensively investigated in past decades owing to its emerging applications in diverse fields of science and technology. Yet the role transport mechanisms has been the subject of a heated debate, especially the…

Fluid Dynamics · Physics 2021-08-04 Osman Akdag , Yigit Akkus , Barbaros Cetin , Zafer Dursunkaya

The consistent description of kinetic and hydrodynamic processes is applied to the study of ion transport processes in the ionic solution-porous medium system. A system of equations is obtained for the nonequilibrium single-ion distribution…

Statistical Mechanics · Physics 2025-06-26 P. P. Kostrobij , B. M. Markovych , O. V. Viznovych , M. V. Tokarchuk

The modeling and simulation of heat source trajectories through phase-change materials is a relevant problem both for space exploration and for terrestrial climate research, among other fields. In space, the DLR and NASA are both interested…

Computational Engineering, Finance, and Science · Computer Science 2019-09-20 Alexander Gary Zimmerman

In this study we investigate shallow turbidity density currents and underflows from mechanical point of view. We propose a simple hyperbolic model for such flows. On one hand, our model is based on very basic conservation principles. On the…

Fluid Dynamics · Physics 2020-02-20 Valery Liapidevskii , Denys Dutykh , Marguerite Gisclon

Energy systems optimisation models are a leading tool for informing decisions in the energy transition. However, these models often remain opaque, and results are frequently presented without a clear discussion of their epistemic…

We introduce a modeling framework for an urban tram network based on a hyperbolic partial differential equation describing the transport of passengers along the network, coupled with a family of stochastic processes representing passenger…

Numerical Analysis · Mathematics 2026-02-27 Thomas Schillinger

Numerical modeling of proton exchange membrane fuel cells is at the verge of becoming predictive. A crucial requisite for this, though, is that material properties of the membrane-electrode assembly and their functional dependence on the…

Applied Physics · Physics 2019-10-03 Roman Vetter , Jürgen O. Schumacher

Anthropogenic pollution of hydrological systems affects diverse communities and ecosystems around the world. Data analytics and modeling tools play a key role in fighting this challenge, as they can help identify key sources as well as…

Machine Learning · Computer Science 2023-09-26 David L. Cole , Gerardo J. Ruiz-Mercado , Victor M. Zavala

Molecular dynamic simulations were employed to study a water-like model confined between hydrophobic and hydrophilic plates. The phase behavior of this system is obtained for different distances between the plates and particle-plate…

Soft Condensed Matter · Physics 2015-06-17 Leandro B. Krott , Marcia C. Barbosa

This article presents a novel computational model to study the selective filtering of biological hydrogels due to the surface charge and size of diffusing particles. It is the first model that includes the random 3D fiber orientation and…

Molecular dynamics simulations have been performed on pure liquid water, aqueous solutions of sodium chloride, and polymer solutions exposed to a strong external electric field with the goal to gain molecular insight into the structural…

Soft Condensed Matter · Physics 2016-08-08 I. Nezbeda , J. Jirsák , F. Moučka , W. R. Smith

When a fluid carrying a passive solute flows quickly through porous media, three key macroscale transport mechanisms occur. These mechanisms are diffusion, advection and dispersion, all of which depend on the microstructure of the porous…

Fluid Dynamics · Physics 2024-10-16 Lucy C Auton , Mohit P. Dalwadi , Ian M. Griffiths

A possibility to use an integral operator for establishing the link between physical and structural levels of materials in modeling diffusion processes is considered. We show how to perform the transition from the stochastic description of…

Materials Science · Physics 2007-05-23 A. L. Svistkov , A. V. Ilinykh

In many urban areas of the developing world, piped water is supplied only intermittently, as valves direct water to different parts of the water distribution system at different times. The flow is transient, and may transition between…

Fluid Dynamics · Physics 2016-04-26 Anna M. Lieb , Chris H. Rycroft , Jon Wilkening

In this paper we study a Darcy-scale mathematical model for biofilm formation in porous media. The pores in the core are divided into three phases: water, oil, and biofilm. The water and oil flow are modeled by an extended version of…

Mathematical models are increasingly a part of microbiological research. Here, we share our perspective on how modeling advances the discipline by: (i) enforcing logical consistency, (ii) enabling quantitative prediction, (iii) extracting…

Other Quantitative Biology · Quantitative Biology 2026-04-22 Jamie A. Lopez , Amir Erez

Encapsulation of chemicals using polymer membranes enables to control their transport and delivery for applications such as agrochemistry or detergency. To rationalize the design of polymer capsules, it is necessary to understand how the…

Soft Condensed Matter · Physics 2018-12-18 Corentin Tregouët , Thomas Salez , Mathilde Reyssat , Cécile Monteux

This paper presents a modeling framework---mathematical model and computational framework---to study the response of a plastic material due to the presence and transport of a chemical species in the host material. Such a modeling framework…

Numerical Analysis · Mathematics 2020-11-16 M. S. Joshaghani , K. B. Nakshatrala

A molecular-dynamics type simulation method, which is suitable for investigating the dewetting dynamics of thin and viscous liquid layers, is discussed. The efficiency of the method is exemplified by studying a two-parameter depinning-like…

Soft Condensed Matter · Physics 2015-06-22 Botond Tyukodi , Yves Brechet , Zoltan Neda