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The evolution of interfaces is intrinsic to many physical processes ranging from cavitation in fluids to recrystallization in solids. Computational modeling of interface motion entails a number of challenges, many of which are related to…

Materials Science · Physics 2022-07-26 Erdem Eren , Brandon Runnels , Jeremy Mason

We derive a dynamical field theory for self-propelled particles subjected to generic torques and forces by explicitly coarse-graining their microscopic dynamics, described by a many-body Fokker-Planck equation. The model includes both…

Soft Condensed Matter · Physics 2022-12-28 Elena Sesé-Sansa , Demian Levis , Ignacio Pagonabarraga

Choosing the correct free energy functional is critical when developing thermodynamically consistent phase field models. We show that the grand-potential phase field model minimizes the Helmholtz free energy when mass conservation is…

Statistical Mechanics · Physics 2025-02-26 Jin Zhang , James A. Warren , Peter W. Voorhees

Phase separation of multicomponent liquid mixtures plays an integral part in many processes ranging from industry to cellular biology. In many cases the morphology of coexisting phases is crucially linked to the function of the separated…

Soft Condensed Matter · Physics 2020-11-25 Sheng Mao , Milena S. Chakraverti-Wuerthwein , Hunter Gaudio , Andrej Kosmrlj

In this paper we introduce the multi-phase version of the so-called Quadrature Domains (QD), which refers to a generalized type of mean value property for harmonic functions. The well-established and developed theory of one-phase QD was…

Analysis of PDEs · Mathematics 2015-12-22 Avetik Arakelyan , Henrik Shahgholian

We study the stability, the clustering and the phase-diagram of free cooling granular gases. The systems consist of mono-disperse particles with additional non-contact (long-range) interactions, and are simulated here by the event-driven…

Soft Condensed Matter · Physics 2015-06-22 S. Gonzalez , A. R. Thornton , S. Luding

We extend a phase-field/gradient damage formulation for cohesive fracture to the dynamic case. The model is characterized by a regularized fracture energy that is linear in the damage field, as well as non-polynomial degradation functions.…

Applied Physics · Physics 2019-03-27 Rudy J. M. Geelen , Yingjie Liu , Tianchen Hu , Michael R. Tupek , John E. Dolbow

This document reports investigations of models of multiphase flows using Lattice Boltzmann methods. The emphasis is on deriving by Chapman-Enskog techniques the corresponding macroscopic equations. The singular interface…

Soft Condensed Matter · Physics 2007-05-23 Erik Aurell , Minh Do-Quang

Dynamic mode decomposition (DMD) provides a principled approach to extract physically interpretable spatial modes from time-resolved flow field data, along with a linear model for how the amplitudes of these modes evolve in time. Recently,…

Fluid Dynamics · Physics 2020-07-29 Aditya G. Nair , Benjamin Strom , Bingni W. Brunton , Steven L. Brunton

A phase field theory of polycrystalline solidification is presented that is able to describe the nucleation and growth of anisotropic particles with different crystallographic orientation in three dimensions. As opposed with the…

Materials Science · Physics 2009-11-11 T. Pusztai , G. Bortel , L. Granasy

We study a system of non-identical bistable particles that is driven by a dynamical constraint and coupled through a non-local mean-field. Assuming piecewise affine constitutive laws we prove the existence of traveling wave solutions and…

Analysis of PDEs · Mathematics 2023-03-14 Michael Herrmann , Barbara Niethammer

This paper introduces a new structural phase field crystal (PFC) type model that expands the PFC methodology to a wider class of structurally complex crystal structures than previously possible. Specifically, our new approach allows for…

Materials Science · Physics 2016-02-03 Matthew Seymour , Nikolas Provatas

Transformations accompanying shape-instability govern the morphological configuration and distribution of the phases in a microstructure. Owing to the influence of the microstructure on the properties of a material, the stability of…

Computational Engineering, Finance, and Science · Computer Science 2020-06-17 Tobias Mittnacht , Prince Gideon Kubendran Amos , Daniel Schneider , Britta Nestler

A thermodynamic approach to rapid phase transformations within a diffuse interface in a binary system is developed. Assuming an extended set of independent thermodynamic variables formed by the union of the classic set of slow variables and…

Materials Science · Physics 2009-11-10 Peter Galenko , David Jou

Structure-based coarse graining of molecular systems offers a systematic route to reproduce the many-body potential of mean force. Unfortunately, common strategies are inherently limited by the molecular mechanics force field employed.…

Soft Condensed Matter · Physics 2018-12-27 Tristan Bereau , Joseph F. Rudzinski

A multiscale theory of interacting continuum mechanics and thermodynamics of mixtures of fluids, electrodynamics, polarization and magnetization is proposed. The mechanical (reversible) part of the theory is constructed in a purely…

Classical Physics · Physics 2020-08-26 Petr Vagner , Michal Pavelka , Ogul Esen

In this work, we report a massively parallel and time domain implementation of the 3D phase field model that can reach beyond micron scale and consider for arbitrary electrical and mechanical boundary conditions. The first part of the paper…

Materials Science · Physics 2012-03-27 Khalid Ashraf , Sayeef Salahuddin

A mechanically coupled phase-field model is proposed for the first time to simulate the peculiar behavior of relaxor ferroelectrics. Based on the random field theory for relaxors, local random fields are introduced to characterize the…

Materials Science · Physics 2016-10-23 Shuai Wang , Min Yi , Bai-Xiang Xu

The width of the distribution of species in a polydisperse system is employed in a small-variable expansion, to obtain a well-controlled and compact scheme by which to calculate phase equilibria in multi-phase systems. General and universal…

Statistical Mechanics · Physics 2009-10-31 R. M. L. Evans

In this article, the energy stability of a one-field fictitious domain method is proved and validated by numerical tests in two and three dimensions. The distinguishing feature of this method is that it only solves for one velocity field…

Computational Engineering, Finance, and Science · Computer Science 2018-01-30 Yongxing Wang , Peter K. Jimack , Mark A. Walkley