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We employ a canonical variational framework for the predictive characterization of structural instabilities that develop during the diffusion-driven transient swelling of hydrogels under geometrical constraints. The variational formulation…

Numerical Analysis · Mathematics 2025-04-11 Siddharth Sriram , Elten Polukhov , Marc-Andre Keip

The goal of this paper is to develop and analyze some fully discrete finite element methods for a displacement-pressure model modeling swelling dynamics of polymer gels under mechanical constraints. In the model, the swelling dynamics is…

Numerical Analysis · Mathematics 2009-03-25 Xiaobing Feng , Yinnian He

In this study, we present a finite element solver for a thermodynamically consistent electrolyte model that accurately captures multicomponent ionic transport by incorporating key physical phenomena such as steric effects, solvation, and…

Computational Engineering, Finance, and Science · Computer Science 2026-01-28 Jan Habscheid , Satyvir Singh , Lambert Theisen , Stefanie Braun , Manuel Torrilhon

This study explores reduced-order modeling for analyzing the time-dependent diffusion-deformation of hydrogels. The full-order model describing hydrogel transient behavior consists of a coupled system of partial differential equations in…

Computational Engineering, Finance, and Science · Computer Science 2024-06-18 Gopal Agarwal , Jorge-Humberto Urrea-Quintero , Henning Wessels , Thomas Wick

The layer-upon-layer approach in additive manufacturing, open or closed cells in polymeric or metallic foams involve an intrinsic microstructure tailored to the underlying applications. Homogenization of such architectured materials creates…

Computational Engineering, Finance, and Science · Computer Science 2025-09-24 B. Cagri Sarar , M. Erden Yildizdag , Francesco Fabbrocino , B. Emek Abali

Most thermodynamic modeling of hydrogels focused on predicting their final volumes in equilibrium with water, built on Flory's theories for the entropy of mixing and rubber elasticity, and Donnan's equilibrium conditions if polyelectrolyte…

Chemical Physics · Physics 2022-01-27 Gang Chen

We introduce a microscopically realistic model of a physical gel and use computer simulations to study its static and dynamic properties at thermal equilibrium. The phase diagram comprises a sol phase, a coexistence region ending at a…

Soft Condensed Matter · Physics 2015-06-25 Pablo I. Hurtado , Ludovic Berthier , Walter Kob

Using a well defined soft model glass in the framework of Molecular Dynamics simulations, the inherent structures are probed by means of a recently developed deformation protocol that aims to capture the Dynamical Heterogeneities (DH), as…

Disordered Systems and Neural Networks · Physics 2013-02-15 F. Leonforte

We present a finite element approach for diffusion problems with thermal fluctuations based on a fluctuating hydrodynamics model. The governing transport equations are stochastic partial differential equations with a fluctuating forcing…

Numerical Analysis · Mathematics 2024-03-21 P. Martínez-Lera , M. De Corato

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

Large-scale electrical and thermal currents in ordinary metals are well approximated by effective medium theory: global transport properties are governed by the solution to homogenized coupled diffusion equations. In some metals, including…

Analysis of PDEs · Mathematics 2021-02-03 Guillaume Bal , Andrew Lucas , Mitchell Luskin

We present a finite element discretization of a non-linear diffusion equation used in the field of critical phenomena and, more recently, in the context of Dynamic Density Functional Theory. The discretized equation preserves the structure…

Statistical Mechanics · Physics 2015-06-23 J. A. de la Torre , Pep Español , Aleksandar Donev

We present a theoretical study of the phase diagram and the structure of a fluid adsorbed in high-porosity aerogels by means of an integral-equation approach combined with the replica formalism. To simulate a realistic gel environment, we…

Disordered Systems and Neural Networks · Physics 2009-11-07 V. Krakoviack , E. Kierlik , M. -L. Rosinberg , G. Tarjus

We present recent finite element numerical results on a model convection-diffusion problem in the singular perturbed case when the convection term dominates the problem. We compare the standard Galerkin discretization using the linear…

Numerical Analysis · Mathematics 2023-02-16 Constantin Bacuta , Daniel Hayes , Tyler O'Grady

The role of heterogeneity in the plastic flow of thin ferrite specimens is investigated in this study. This is done through a recently introduced quasi-2D experimental-numerical framework that allows for a quantitative comparison of the…

Materials Science · Physics 2024-02-27 J. Wijnen , T. Vermeij , J. P. M. Hoefnagels , M. G. D. Geers , R. H. J. Peerlings

The paper deals with the homogenization of deformable porous media saturated by two-component electrolytes. The model relevant to the microscopic scale describes steady states of the medium while reflecting essential physical phenomena,…

Computational Physics · Physics 2019-01-25 Jana Turjanicová , Eduard Rohan , Vladimír Lukeš

A polymer network can imbibe water, forming an aggregate called hydrogel, and undergo large and inhomogeneous deformation with external mechanical constraint. Due to the large deformation, nonlinearity plays a crucial role, which also…

Biological Physics · Physics 2011-03-04 Hui-Hui Dai , Zilong Song

Thermo-responsive hydrogels are a promising material for creating controllable actuators for use in micro-scale devices, since they expand and contract significantly (absorbing or expelling fluid) in response to relatively small temperature…

Soft Condensed Matter · Physics 2022-08-18 Matthew D. Butler , Thomas D. Montenegro-Johnson

A recent paper [J. A. Evans, D. Kamensky, Y. Bazilevs, "Variational multiscale modeling with discretely divergence-free subscales", Computers & Mathematics with Applications, 80 (2020) 2517-2537] introduced a novel stabilized finite element…

Numerical Analysis · Mathematics 2021-12-21 Sajje Lee Calfy , John A. Evans , David Kamensky

This work presents a fully physical model of the hydrogen diffusion and trapping kinetics in metals, integrating permeation and thermal desorption within a unified framework. Based on the McNabb and Foster approach, it requires only binding…

Materials Science · Physics 2025-09-23 Paolo Emilio Di Nunzio
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