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Implicit solvation is an effective, highly coarse-grained approach in atomic-scale simulations to account for a surrounding liquid electrolyte on the level of a continuous polarizable medium. Originating in molecular chemistry with finite…

Chemical Physics · Physics 2021-08-06 Stefan Ringe , Nicolas G. Hörmann , Harald Oberhofer , Karsten Reuter

The description of surface-diffusion controlled dynamics via the phase-field method is less trivial than it appears at first sight. A seemingly straightforward approach from the literature is shown to fail to produce the correct…

Computational Physics · Physics 2017-03-13 Clemens Mueller-Gugenberger , Robert Spatschek , Klaus Kassner

Motivated by solid-solid phase transitions in elastic thin films, we perform a Gamma-convergence analysis for a singularly perturbed energy describing second order phase transitions in a domain of vanishing thickness. Under a two-wells…

Analysis of PDEs · Mathematics 2012-02-29 Bernardo Galvão-Sousa , Vincent Millot

The splitting method is a powerful method for solving partial differential equations. Various splitting methods have been designed to separate different physics, nonlinearities, and so on. Recently, a new splitting approach has been…

Numerical Analysis · Mathematics 2023-03-22 Yalchin Efendiev , Wing Tat Leung , Wenyuan Li , Zecheng Zhang

We present a continuum theory to describe elastically induced phase transitions between coherent solid phases. In the limit of vanishing elastic constants in one of the phases, the model can be used to describe fracture on the basis of the…

Materials Science · Physics 2009-11-13 R. Spatschek , C. Mueller-Gugenberger , E. Brener , B. Nestler

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

The motion of microstructural interfaces is important in modeling materials that undergo twinning and structural phase transformations. Continuum models fall into two classes: sharp-interface models, where interfaces are singular surfaces;…

Materials Science · Physics 2014-12-31 Vaibhav Agrawal , Kaushik Dayal

In the present article we study diffuse interface models for two-phase biomembranes. We will do so by starting off with a diffuse interface model on $\mathbb{R}^n$ defined by two coupled phase fields $u,v$. The first phase field $u$ is the…

Analysis of PDEs · Mathematics 2024-07-24 Benjamin Lledos , Roberta Marziani , Heiner Olbermann

A new time discretization scheme for the numerical simulation of two-phase flow governed by a thermodynamically consistent diffuse interface model is presented. The scheme is consistent in the sense that it allows for a discrete in time…

Analysis of PDEs · Mathematics 2014-02-27 Harald Garcke , Michael Hinze , Christian Kahle

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

In two-phase flow, the presence of inter-phasal surface - the interface - causes additional terms to appear in LES formulation. Those terms were ignored in contemporary works, for the lack of model and because the authors expected them to…

Computational Physics · Physics 2014-04-29 Wojciech Aniszewski , Andrzej Boguslawski , Maciej Marek , Artur Tyliszczak

We present novel coupling schemes for partitioned multi-physics simulation that combine four important aspects for strongly coupled problems: implicit coupling per time step, fast and robust acceleration of the corresponding iterative…

Numerical Analysis · Mathematics 2020-09-21 Benjamin Rüth , Benjamin Uekermann , Miriam Mehl , Philipp Birken , Azahar Monge , Hans-Joachim Bungartz

We present a differentiable soft-body physics simulator that can be composed with neural networks as a differentiable layer. In contrast to other differentiable physics approaches that use explicit forward models to define state…

Machine Learning · Computer Science 2021-09-13 Junior Rojas , Eftychios Sifakis , Ladislav Kavan

This paper deals with the evolution equation of a curve obtained as the sharp interface limit of a non-linear system of two reaction-diffusion PDEs. This system was introduced as a phase-field model of (crawling) motion of eukaryotic cells…

Analysis of PDEs · Mathematics 2016-03-23 Matthew S. Mizuhara , Leonid Berlyand , Volodymyr Rybalko , Lei Zhang

Phase-field methods have long been used to model the flow of immiscible fluids. Their ability to naturally capture interface topological changes is widely recognized, but their accuracy in simulating flows of real fluids in practical…

Fluid Dynamics · Physics 2019-06-10 Baofang Song , Carlos Plana , Jose M. Lopez , Marc Avila

The plasma edge flow, situated at the intricate boundary between plasma and neutral particles, plays a pivotal role in the design of nuclear fusion devices such as divertors and pumps. Traditional numerical simulation methods, such as the…

Computational Physics · Physics 2024-11-14 Yifan Wen , Yanbing Zhang , Lei Wu

In this paper, a thermal-dynamical consistent model for mass transfer across permeable moving interfaces is proposed by using the energy variation method. We consider a restricted diffusion problem where the flux across the interface…

Numerical Analysis · Mathematics 2022-06-15 Yuzhe Qin , Huaxiong Huang , Yi Zhu , Chun Liu , Shixin Xu

Standard diffuse approximations of the Willmore flow often lead to intersecting phase boundaries that in many cases do not correspond to the intended sharp interface evolution. Here we introduce a new two-variable diffuse approximation that…

Analysis of PDEs · Mathematics 2019-11-01 Andreas Rätz , Matthias Röger

The viscous flow of two immiscible fluids in a porous medium on the Darcy scale is governed by a system of nonlinear parabolic equations. If infinite mobility of one phase can be assumed (e.g. in soil layers in contact with the atmosphere)…

Numerical Analysis · Mathematics 2021-06-29 David Seus , Florin A. Radu , Christian Rohde

In this work, we develop an accelerated sharp-interface method based on (Hu et al., JCP, 2006) and (Luo et al., JCP, 2015) for multiphase flows simulations. Traditional multiphase simulation methods use the minimum time step of all fluids…

Computational Physics · Physics 2019-05-13 Tian Long , Jinsheng Cai , Shucheng Pan