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This work deals with numerical simulation of water freezing and thawing in a complex three-dimensional geometry of a porous medium. The porous structure is represented by a virtual container filled with glass beads. Phase transition…

Computational Physics · Physics 2024-07-23 Pavel Strachota

We apply a phase field approach for a general shape optimization problem of a stationary Navier-Stokes flow. To be precise we add a multiple of the Ginzburg--Landau energy as a regularization to the objective functional and relax the…

Optimization and Control · Mathematics 2014-07-22 Harald Garcke , Claudia Hecht

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

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

The numerical resolution efficiency of phase-field models is limited by grid friction, grid anisotropy and pinning. The 1D sharp phase-field model eliminates grid friction and pinning by a global restoration of Translational Invariance (TI)…

Materials Science · Physics 2022-02-22 Michael Fleck , Felix Schleifer

We present a convergence result for the finite volume method applied to a particular phase field problem suitable for simulation of pure substance solidification. The model consists of the heat equation and the phase field equation with a…

Numerical Analysis · Mathematics 2020-10-14 Aleš Wodecki , Pavel Strachota , Michal Beneš

In this paper the relationship between the density functional theory of freezing and phase field modeling is examined. More specifically a connection is made between the correlation functions that enter density functional theory and the…

Materials Science · Physics 2007-05-23 K. R. Elder , Nikolas Provatas , Joel Berry , Peter Stefanovic , Martin Grant

Amplitude representations of a binary phase field crystal model are developed for a two dimensional triangular lattice and three dimensional BCC and FCC crystal structures. The relationship between these amplitude equations and the standard…

Materials Science · Physics 2015-05-14 K. R. Elder , Zhi-Feng Huang , Nikolas Provatas

We introduce unconditionally stable finite element approximations for a phase field model for solidification, which take highly anisotropic surface energy and kinetic effects into account. We hence approximate Stefan problems with…

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

Understanding rapid solidification behavior at velocities relevant to additive manufacturing (AM) is critical to controlling microstructure selection. Although in-situ visualization of solidification dynamics is now possible, systematic…

Within this work, we develop a phase-field description for simulating fractures in incompressible materials. Standard formulations are subject to volume-locking when the solid is (nearly) incompressible. We propose an approach that builds…

Numerical Analysis · Mathematics 2024-12-20 Katrin Mang , Thomas Wick , Winnifried Wollner

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

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

In this paper, we introduce an interfacial profile-preserving approach for phase field modeling for simulating incompressible two-phase flows. While the advective Cahn-Hilliard equation effectively captures the topological evolution of…

Fluid Dynamics · Physics 2023-10-03 Haohao Hao , Xiangwei Li , Chenglin Jiang , Huanshu Tan

In this paper, we have formulated a phase-field model based on the grand-potential functional for the simulation of precipitate growth in the presence of coherency stresses. In particular, we study the development of dendrite-like patterns…

Materials Science · Physics 2021-01-26 Bhalchandra Bhadak , Tushar Jogi , Saswata Bhattacharya , Abhik Choudhury

The dynamics of solid-liquid interfaces controlled by solute precipitation and/or dissolution due to the chemical reaction at the interface were computed in two dimensions using a phase field models. Sharp-interface asymptotic analysis…

Computational Physics · Physics 2018-08-30 Zhijie Xu , Hai Huang , Xiaoyi Li , Paul Meakin

We propose a novel phase-field model for solute precipitation and dissolution in liquid solutions. Unlike in previous studies with similar scope, in our model the two non-linear coupled governing equations of the problem, which deliver the…

Computational Physics · Physics 2025-07-18 Andrea Lamperti , Laura De Lorenzis

Multiphase field models have emerged as an important computational tool for understanding biological tissue while resolving single-cell properties. While they have successfully reproduced many experimentally observed behaviors of living…

Soft Condensed Matter · Physics 2025-02-13 Michael Chiang , Austin Hopkins , Benjamin Loewe , Davide Marenduzzo , M. Cristina Marchetti

While biological crystallization processes have been studied on the microscale extensively, models addressing the mesoscale aspects of such phenomena are rare. In this work, we investigate whether the phase-field theory developed in…

Solidification, coupled with melt flow, plays a critical role in determining the microstructure and properties of materials in several manufacturing processes. Phase-field models coupled with the Navier-Stokes equations are widely used to…