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Related papers: Phase-field approach to heterogeneous nucleation

200 papers

To study materials phenomena simultaneously at various length scales, descriptions in which matter can be coarse grained to arbitrary levels, are necessary. Attempts to do this in the static regime (i.e. zero temperature) have already been…

Materials Science · Physics 2009-11-07 Stefano Curtarolo , Gerbrand Ceder

We consider an approximation procedure to evaluate the finite-temperature one-loop fermionic density in the presence of a chiral background field which systematically incorporates effects from inhomogeneities in the chiral field through a…

High Energy Physics - Phenomenology · Physics 2011-08-04 Bruno G. Taketani , Eduardo S. Fraga

We derive a theory that describes homogeneous nucleation of grain boundary (GB) phases. Our analysis takes account of the energy resulting from the GB phase junction, the line defect separating two different GB structures, which is…

Materials Science · Physics 2022-02-02 Ian S. Winter , Robert E. Rudd , Tomas Oppelstrup , Timofey Frolov

The internal energy associated with the defect microstructure of strongly deformed crystals provides an important driving force for grain boundary motion during recrystallization. Typical dislocation microstructures are strongly…

Materials Science · Physics 2026-01-13 Yufan Zhang , Michael Zaiser

We apply a simple dynamical density functional theory, the phase-field-crystal (PFC) model, to describe homogeneous and heterogeneous crystal nucleation in 2d monodisperse colloidal systems and crystal nucleation in highly compressed Fe…

Materials Science · Physics 2015-05-18 László Gránásy , György Tegze , Gyula I. Tóth , Tamás Pusztai

Results are presented from numerical experiments aiming at the computation of stochastic phase-field models for phase transformations by coarse-graining molecular dynamics. The studied phase transformations occur between a solid crystal and…

Numerical Analysis · Mathematics 2009-08-11 Erik von Schwerin

We investigated the effective influence of grain structures on the heat transfer between a fluid and solid domain using mathematical homogenization. The presented model consists of heat equations inside the different domains, coupled…

Analysis of PDEs · Mathematics 2024-07-18 Tom Freudenberg , Michael Eden

In this research, atomistic molecular dynamics simulations are combined with mesoscopic phase-field computational methods in order to investigate phase-transformation in polycrystalline Aluminum microstructure. In fact, microstructural…

Materials Science · Physics 2019-07-03 Mehrdad Yousefi

A general self-consistency approach allows a thorough treatment of the corrections to the mean-field approximation (MFA). The natural extension of standard MFA with the help of a cumulant expansion leads to a new point of view on the…

Statistical Mechanics · Physics 2009-11-13 Dimo I. Uzunov

The basic physics of nucleation in solid \hl{single-crystal} nanoparticles is revealed by a phase-field theory that includes surface energy, chemical reactions and coherency strain. In contrast to binary fluids, which form arbitrary contact…

Materials Science · Physics 2014-09-17 Daniel A. Cogswell , Martin Z. Bazant

This contribution presents a diffuse framework for modeling cracks in heterogeneous media. Interfaces are depicted by static phase-fields. This concept allows the use of non-conforming meshes. Another phase-field is used to describe the…

Materials Science · Physics 2020-05-11 Arne Claus Hansen-Dörr , Franz Dammaß , René de Borst , Markus Kästner

Phase separation and coarsening is a phenomenon commonly seen in binary physical and chemical systems that occur in nature. Often times, thermal fluctuations, modeled as stochastic noise, are present in the system and the phase segregation…

Soft Condensed Matter · Physics 2017-04-19 Prerna Gera , David Salac

Homogeneous nucleation, a textbook transition path for phase transitions, is typically understood on thermodynamic grounds through the prism of classical nucleation theory. However, recent studies have suggested the applicability of…

Soft Condensed Matter · Physics 2025-12-08 Luke Langford , Ahmad K. Omar

The modeling of crack propagation in a heterogeneous material using a phase field model is studied numerically in a simple test case: the crack meets a wedge of higher fracture energy. It is shown that when the crack cannot enter the wedge,…

Materials Science · Physics 2021-08-24 Hervé Henry

A thermodynamically consistent phase-field model is introduced for simulating multicellular deformation, and aggregation under flow conditions. In particular, a Lennard-Jones type potential is proposed under the phase-field framework for…

Numerical Analysis · Mathematics 2022-05-17 Lingyue Shen , Ping Lin , Zhiliang Xu , Shixin Xu

We investigate a new mechanism for the cosmological QCD phase transition: inhomogeneous nucleation. The primordial temperature fluctuations, measured to be $\delta T/T \sim 10^{-5}$, are larger than the tiny temperature interval, in which…

High Energy Physics - Phenomenology · Physics 2009-10-31 J. Ignatius , Dominik J. Schwarz

We present a phase field theory for binary crystal nucleation. In the one-component limit, quantitative agreement is achieved with computer simulations (Lennard-Jones system) and experiments (ice-water system) using model parameters…

Soft Condensed Matter · Physics 2009-11-07 Laszlo Granasy , Tamas Borzsonyi , Tamas Pusztai

We introduce a nonisothermal phase-field system of Caginalp type that describes tumor growth under hyperthermia. The model couples a possibly viscous Cahn-Hilliard equation, governing the evolution of the healthy and tumor phases, with an…

Analysis of PDEs · Mathematics 2025-10-13 Giulia Cavalleri , Pierluigi Colli , Elisabetta Rocca

We introduce a phase field approach for diffusion inside and outside a closed cell with damping and with source terms at the interface. The method is compared to exact solutions (where possible) and the more traditional finite element…

Statistical Mechanics · Physics 2007-05-23 Julien Kockelkoren , Herbert Levine , Wouter-Jan Rappel

First-order phase transitions that proceed via nucleation of bubbles are described by the homogeneous nucleation theory of Langer. The nucleation rate is one of the most interesting parameters of these transitions. In previous works we have…

Condensed Matter · Physics 2009-10-09 G. Munster , A. Strumia , N. Tetradis