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Continuum solvent models have become a standard technique in the context of electronic structure calculations, yet, no implementations have been reported capable to perform molecular dynamics at solid-liquid interfaces. We propose here such…

Chemical Physics · Physics 2015-05-13 Veronica M. Sanchez , Mariela Sued , Damian A. Scherlis

A general approach for transforming phase field equations into generalized curvilinear coordinates is proposed in this work. The proposed transformation can be applied to isotropic, non-isotropic, and curvilinear grids without adding any…

Computational Physics · Physics 2024-12-02 Henry Collis , Shahab Mirjalili , Ali Mani

In this paper, a lattice Boltzmann model is proposed to simulate solid-liquid phase change phenomena in multiphase systems. The model couples the thermal properties of the solidification front with the dynamics of the liquid droplet…

Fluid Dynamics · Physics 2024-04-04 Jiangxu Huang , Lei Wang , Zhenhua Chai , Baochang Shi

We introduce a diffuse interface model describing the evolution of a mixture of two different viscous incompressible fluids of equal density. The main novelty of the present contribution consists in the fact that the effects of temperature…

Analysis of PDEs · Mathematics 2014-01-15 Michela Eleuteri , Elisabetta Rocca , Giulio Schimperna

We prove existence of weak solutions for a diffuse interface model for the flow of two viscous incompressible Newtonian fluids in a bounded domain in two and three space dimensions. In contrast to previous works, we study a new model…

Analysis of PDEs · Mathematics 2015-06-03 Helmut Abels , Daniel Depner , Harald Garcke

Atomistic computer simulations are applied to investigate the atomic structure, thermal stability, and diffusion processes in Al-Si interphase boundaries as a prototype of metal-ceramic interfaces in composite materials. Some of the most…

Materials Science · Physics 2023-08-24 Ian Chesser , Raj Koju , Akshay Vellore , Yuri Mishin

This paper is concerned with diffuse-interface approximations of the Willmore flow. We first present numerical results of standard diffuse-interface models for colliding one dimensional interfaces. In such a scenario evolutions towards…

Analysis of PDEs · Mathematics 2013-02-13 Selim Esedoglu , Andreas Rätz , Matthias Röger

We investigate a new diffuse-interface model that describes creeping two-phase flows (i.e., flows exhibiting a low Reynolds number), especially flows that permeate a porous medium. The system of equations consists of a Brinkman equation for…

Analysis of PDEs · Mathematics 2025-09-15 Pierluigi Colli , Patrik Knopf , Giulio Schimperna , Andrea Signori

In this paper a time dependent Stokes problem that is motivated by a standard sharp interface model for the fluid dynamics of two-phase flows is studied. This Stokes interface problem has discontinuous density and viscosity coefficients and…

Numerical Analysis · Mathematics 2018-07-12 Igor Voulis , Arnold Reusken

Multiphase flows are characterized by sharp moving interfaces, separating different fluids or phases. In many cases the dynamics of the interface determines the behavior of the flow. In a coarse, or reduced order model, it may therefore be…

Fluid Dynamics · Physics 2021-08-12 Xianyang Chen , Jiacai Lu , Gretar Tryggvason

A phase-field approach is proposed for interface failure between two possibly dissimilar materials. The discrete adhesive interface is regularised over a finite width. Due to the use of a regularised crack model for the bulk material, an…

Materials Science · Physics 2019-09-06 Arne Claus Hansen-Dörr , René de Borst , Paul Hennig , Markus Kästner

We develop and analyse the first second-order phase-field model to combine melting and dissolution in multi-component flows. This provides a simple and accurate way to simulate challenging phase-change problems in existing codes.…

Computational Physics · Physics 2020-12-09 Eric W. Hester , Louis-Alexandre Couston , Benjamin Favier , Keaton J. Burns , Geoffrey M. Vasil

Central finite difference schemes have long been avoided in the context of two-phase flows for the advection of the phase indicator function due to numerical overshoots and undershoots associated with their dispersion errors. We will show…

Fluid Dynamics · Physics 2019-12-23 Shahab Mirjalili , Christopher B. Ivey , Ali Mani

The acoustic mismatch model and the diffuse mismatch model have been widely used to predict the thermal interface conductance. However, the acoustic mismatch model (diffuse mismatch model) is based on the hypothesis of a perfectly smooth…

Mesoscale and Nanoscale Physics · Physics 2018-12-10 Yingying Zhang , Dengke Ma , Yi Zang , Nuo Yang

In this paper, we propose an improved phase field model for interface capturing in simulating two-phase incompressible flows. The model incorporates a second-order diffusion term, which utilizes a nonlinear coefficient to assess the degree…

Fluid Dynamics · Physics 2025-01-20 Jing-Wei Chen , Chun-Yu Zhang , Hao-Ran Liu , Hang Ding

We investigate the sharp interface limit of a diffuse interface system that couples the Allen--Cahn equation with the instationary Navier--Stokes system in a bounded domain in $\mathbb{R}^d$ with $d \in \{2,3\}$. This model is used to…

Analysis of PDEs · Mathematics 2022-05-17 Sebastian Hensel , Yuning Liu

Based on the idea of maintaining physical diffuse interface kinetics, enhancing interfacial diffusivity has recently provided a new direction for quantitative phase-field simulation at microstructural length and time scale. Establishing a…

Materials Science · Physics 2024-05-21 Yue Li , Lei Wang , Junjie Li , Jincheng Wang , Zhijun Wang

We introduce a new phase-field model which allows for simulation of incoherent solid/solid transformations. Contrary to previous models which impose coherency at the interface, the zero shear-stress condition characteristic of incoherent…

Materials Science · Physics 2007-05-23 Jerome Paret

We present a thermodynamic theory of plane coherent solid-solid interfaces in multicomponent systems subject to nonhydrostatic mechanical stresses. The interstitial and substitutional chemical components are treated separately using…

Materials Science · Physics 2013-04-02 T. Frolov , Y. Mishin

We present a parametric finite element approximation of two-phase flow. This free boundary problem is given by the Stokes equations in the two phases, which are coupled via jump conditions across the interface. Using a novel variational…

Numerical Analysis · Mathematics 2015-06-02 John W. Barrett , Harald Garcke , Robert Nürnberg