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Charged pattern formation on the surfaces of self--assembled cylindrical micelles formed from oppositely charged heterogeneous molecules such as cationic and anionic peptide amphiphiles is investigated. The net incompatibility $\chi$ among…

Materials Science · Physics 2015-06-25 Y. S. Velichko , M. Olvera de la Cruz

The thermodynamics of the lattice model of intercalation of ions in crystals is considered in the mean field approximation. Pseudospin formalism is used for the description of interaction of electrons with ions and the possibility of…

Strongly Correlated Electrons · Physics 2009-07-08 T. S. Mysakovych , V. O. Krasnov , I. V. Stasyuk

Surfaces of ionic solids interacting with an ionic solution can build up charge by exchange of ions. The surface charge is compensated by a strip of excess charge at the border of the electrolyte forming an electric double layer. These…

Chemical Physics · Physics 2016-12-21 Chao Zhang , Michiel Sprik

The electrostatic interaction between two non-identical, moderately charged colloids situated in close proximity of each other at a fluid interface is studied. By resorting to a well-justified model system, this problem is analytically…

Soft Condensed Matter · Physics 2018-04-30 Arghya Majee , Timo Schmetzer , Markus Bier

Using the Deep Potential methodology, we construct a model that reproduces accurately the potential energy surface of the SCAN approximation of density functional theory for water, from low temperature and pressure to about 2400 K and 50…

Chemical Physics · Physics 2021-06-16 Linfeng Zhang , Han Wang , Roberto Car , Weinan E

To study the electrochemical reaction on surfaces, phase interfaces, and crack surfaces in the lithium ion battery electrode particles, a phase-field model is developed, which describes fracture in large strains and anisotropic…

Materials Science · Physics 2016-05-31 Ying Zhao , Bai-Xiang Xu , Peter Stein , Dietmar Gross

We study a Cahn-Hilliard model for phase separation in composite materials with multiple periodic microstructures. These are modeled by considering a highly oscillating potential. The focus of this paper is in the case where the scales of…

Analysis of PDEs · Mathematics 2026-02-16 Riccardo Cristoferi , Luca Pignatelli

The Cahn--Hilliard equation is one of the most common models to describe phase segregation processes in binary mixtures. In recent times, various dynamic boundary conditions have been introduced to model interactions of the materials with…

Analysis of PDEs · Mathematics 2021-10-12 Patrik Knopf , Andrea Signori

We propose a new class of phase field models coupled to viscoelasticity with large deformations, obtained from a diffuse interface mixture model composed by a phase with elastic properties and a liquid phase. The model is formulated in the…

Analysis of PDEs · Mathematics 2022-04-12 Abramo Agosti , Pierluigi Colli , Harald Garcke , Elisabetta Rocca

Motivated by recent experimental and theoretical work on the control of phase separation by (electro-)autocatalytic reactions, we analyze pattern formation in externally driven phase separating systems described by a generalization of the…

Chemical Physics · Physics 2023-10-03 Hongbo Zhao , Martin Z. Bazant

A nonlinear phase-field model is developed to simulate corrosion damage. The motion of the electrode$-$ electrolyte interface follows the usual kinetic rate theory for chemical reactions based on the Butler-Volmer equation. The model links…

Chemical Physics · Physics 2024-08-28 M. Makuch , S. Kovacevic , M. R. Wenman , E. Martínez-Pañeda

Motility-induced phase separation (MIPS) arises generically in fluids of self-propelled particles when interactions lead to a kinetic slowdown at high densities. Starting from a continuum description of scalar active matter, akin to a…

Statistical Mechanics · Physics 2018-02-28 Alexandre P. Solon , Joakim Stenhammar , Michael E. Cates , Yariv Kafri , Julien Tailleur

In this study, we have derived a thermodynamically consistent phase-field model for two-phase flows with thermocapillary effects. This model accommodates variations in physical properties such as density, viscosity, heat capacity, and…

Fluid Dynamics · Physics 2024-04-09 Yanxiao Sun , Jiang Wu , Maosheng Jiang , Steven M. Wise , Zhenlin Guo

We construct a mean-field model that describes the nonlinear dynamics of a spin-polarized electron gas interacting with fixed, positively-charged ions possessing a magnetic moment that evolves in time. The mobile electrons are modeled by a…

We have derived the interaction between Jahn-Teller centers due to optical and acoustic phonons. Without Coulomb repulsion the model leads to a global phase separation at low temperature. At long distances Coulomb repulsion always dominates…

Disordered Systems and Neural Networks · Physics 2007-05-23 V. V. Kabanov , T. Mertelj , D. Mihailovic

In this paper a generalization of the Cahn-Hilliard theory of binary liquids is presented for multi-component incompressible liquid mixtures. First, a thermodynamically consistent convection-diffusion type dynamics is derived on the basis…

Materials Science · Physics 2016-02-03 Gyula I. Toth , Mojdeh Zarifi , Bjorn Kvamme

We reformulate and extend porous electrode theory for non-ideal active materials, including those capable of phase transformations. Using principles of non-equilibrium thermodynamics, we relate the cell voltage, ionic fluxes, and Faradaic…

Chemical Physics · Physics 2012-08-24 Todd R. Ferguson , Martin Z. Bazant

We present a Ginzburg-Landau theory of inhomogeneous polyelectrolytes with a polar solvent. First, we take into account the molecular (solvation) interaction among the ions, the charged monomers, the uncharged monomers, and the solvent…

Soft Condensed Matter · Physics 2009-03-10 Akira Onuki , Ryuichi Okamoto

Phase separation in binary mixtures in the presence of Janus particles has been studied in terms of a Cahn-Hilliard model coupled to the Langevin equations describing the particle dynamics. We demonstrate that the phase separation process…

Soft Condensed Matter · Physics 2015-06-17 Alexei Krekhov , Vanessa Weith , Walter Zimmermann

We perform computer simulations of a Cahn-Hilliard model of phase separation which has dynamical asymmetry between the two coexisting phases. The dynamical asymmetry is incorporated by considering a mobility function which is order…

Soft Condensed Matter · Physics 2009-10-31 Rajeev Ahluwalia