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The finite solid-liquid interface width in phase field models results in non-equilibrium effects, including solute trapping. Prior phase field modeling has shown that this extra degree of freedom, when compared to sharp-interface models,…

材料科学 · 物理学 2023-04-07 Arnab Mukherjee , James A. Warren , Peter W. Voorhees

This paper presents a broad theoretical and simulation study of the high temperature behavior of crystalline alkali halide surfaces typified by NaCl(100), of the liquid NaCl surface near freezing, and of the very unusual partial wetting of…

材料科学 · 物理学 2007-05-23 T. Zykova-Timan , D. Ceresoli , U. Tartaglino , E. Tosatti

We consider the mean field Fokker-Planck equation subject to nonlinear no-flux boundary conditions, which necessarily arise when subjecting a system of Brownian particles interacting via a pair potential in a bounded domain. With the…

数值分析 · 数学 2022-03-30 R. D. Mills-Williams , B. D. Goddard , G. A. Pavliotis

We derive a new effective macroscopic Cahn-Hilliard equation whose homogeneous free energy is represented by 4-th order polynomials, which form the frequently applied double-well potential. This upscaling is done for perforated/strongly…

数学物理 · 物理学 2013-10-02 Markus Schmuck , Marc Pradas , Greg A. Pavliotis , Serafim Kalliadasis

This article presents a new phase-field formulation for non-equilibrium interface conditions in rapid phase transformations. With a particular way of defining concentration fields, the classical sharp and diffuse (thick) interface theories…

材料科学 · 物理学 2023-04-03 Yue Li , Lei Wang , Junjie Li , Jincheng Wang , Zhijun Wang

We construct a new phase-field model for the solvation of charged molecules with a variational implicit solvent. Our phase-field free-energy functional includes the surface energy, solute-solvent van der Waals dispersion energy, and…

数值分析 · 数学 2017-12-07 Yanxiang Zhao , Yanping Ma , Hui Sun , Bo Li , Qiang Du

We study the periodic homogenization for convex Hamilton-Jacobi equations on perforated domains under the Neumann type boundary conditions. We consider two types of conditions, the oblique derivative boundary condition and the prescribed…

偏微分方程分析 · 数学 2026-03-02 Hiroyoshi Mitake , Panrui Ni

We propose a hybrid continuum surface force (CSF) formulation to model the interface interaction within the three-phase volume of fluid (VOF) method. Instead of employing the height function globally, we compute the curvature based on a…

流体动力学 · 物理学 2023-10-24 Chunheng Zhao , Jacob Maarek , Seyed Mohammadamin Taleghani , Stephane Zaleski

The computational modeling of many engineering problems using the Finite Element method involves the modeling of two or more bodies that meet through an interface. The interface can be physical, as in multi-physics and contact problems, or…

数值分析 · 计算机科学 2009-09-30 G. Haikal

The self-wetting properties of ionic crystal surfaces are studied, using NaCl(100) as a prototype case. The anomalously large contact angle measured long ago by Mutaftschiev is well reproduced by realistic molecular dynamics simulations.…

材料科学 · 物理学 2007-05-23 T. Zykova-Timan , U. Tartaglino , D. Ceresoli , W. Sekkal , E. Tosatti

Liquid-gas phase coexistence in a boundary-driven diffusive system is studied by analyzing fluctuating hydrodynamics of a density field defined on a one-dimensional lattice with a space interval $\Lambda$. When an interface width $\ell$ is…

统计力学 · 物理学 2024-11-28 Shin-ichi Sasa , Naoko Nakagawa

We consider rotating equilibrium states of fluid deformable surfaces. These states are characterized by a force balance between centrifugal and bending forces, involve surface Killing vector fields and are independent on the surface…

流体动力学 · 物理学 2023-07-20 Michael Nestler , Axel Voigt

We study a diffusion model of phase field type, consisting of a system of two partial differential equations encoding the balances of microforces and microenergy; the two unknowns are the order parameter and the chemical potential. By a…

偏微分方程分析 · 数学 2011-03-24 Pierluigi Colli , Gianni Gilardi , Paolo Podio-Guidugli , Juergen Sprekels

We rigorously prove the convergence of weak solutions to a model for lipid raft formation in cell membranes which was recently proposed by Garcke et al. to weak (varifold) solutions of the corresponding sharp-interface problem for a…

偏微分方程分析 · 数学 2019-02-05 Helmut Abels , Johannes Kampmann

This paper tackles the approximation of surface diffusion flow using a Cahn--Hilliard-type model. We introduce and analyze a new second order variational phase field model which associates the classical Cahn--Hilliard energy with two…

偏微分方程分析 · 数学 2020-07-09 Elie Bretin , Simon Masnou , Arnaud Sengers , Garry Terii

We present a phase-field approximation of sharp-interface energies defined on partitions, designed for modeling grain boundaries in polycrystals. The independent variable takes values in the orthogonal group $\mathrm{O}(d)$ modulo a lattice…

泛函分析 · 数学 2026-01-13 Sergio Conti , Vito Crismale , Adriana Garroni , Annalisa Malusa

A phase-field model that allows for quantitative simulations of low-speed eutectic and peritectic solidification under typical experimental conditions is developed. Its cornerstone is a smooth free-energy functional, designed so that the…

材料科学 · 物理学 2009-11-11 R. Folch , M. Plapp

Membranes are an important subject of study in physical chemistry and biology. They can be considered as material surfaces with a surface energy depending on the curvature tensor. Usually, mathematical models developed in the literature…

经典物理 · 物理学 2019-08-14 Sergey Gavrilyuk , Henri Gouin

In this article we consider the numerical modeling and simulation via the phase field approach of two-phase flows of different densities and viscosities in superposed fluid and porous layers. The model consists of the…

数值分析 · 数学 2021-12-09 Yali Gao , Daozhi Han , Xiaoming He , Ulrich Rüde

Understanding the physics of a three-phase contact line between gas, liquid, and solid is important for numerous applications. At the macroscale, the three-phase contact line response to an external force action is often characterized by a…