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Updated: Jan 25, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Dynamics and stationary configurations of heterogeneous foams
Dong Wang1, Andrej Cherkaev1, Braxton Osting1
1Department of Mathematics, University of Utah, Salt Lake City, UT, United States of America.
Abstract:
We consider the variational foam model, where the goal is to minimize the total surface area of a collection of bubbles subject to the constraint that the volume of each bubble is prescribed. We apply sharp interface methods to develop an efficient computational method for this problem. In addition to simulating time dynamics, we also report on stationary states of this flow for ≤ 21 bubbles in two dimensions and ≤ 17 bubbles in three dimensions. For small numbers of bubbles, we recover known analytical results, which we briefly discuss. In two dimensions, we also recover previous numerical results, computed using other methods. Particular attention is given to locally optimal foam configurations and heterogeneous foams, where the volumes of the bubbles are not equal. Configurational transitions are reported for the quasi-stationary flow where the volume of one of the bubbles is varied and, for each volume, the stationary state is computed. The results from these numerical experiments are described and accompanied by many figures and videos.
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