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The phase field approach to modeling fracture uses a diffuse damage field to represent a crack. This addresses the singularities that arise at the crack tip in computations with sharp interface models, mollifying some of the difficulties…

The phase-field crystal model (PFC) describes crystal structures at diffusive timescales through a periodic order parameter representing the atomic density. One of its main features is that it naturally incorporates elastic and plastic…

Materials Science · Physics 2023-07-07 Maik Punke , Vidar Skogvoll , Marco Salvalaglio

A phase field (PF) based electrochemical model is presented for simulation of galvanic corrosion. Distributions of electrolyte potential and current density on anode and cathode surfaces are obtained by coupling the phase field variable…

Materials Science · Physics 2018-04-24 Anahita Imanian , Mehdi Amiri

We apply a simple dynamical density functional theory, the phase-field crystal (PFC) model of overdamped conservative dynamics, to address polymorphism, crystal nucleation, and crystal growth in the diffusion-controlled limit. We refine the…

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

We apply the fidelity metric approach to analyze two recently introduced models that exhibit a quantum phase transition to a topologically ordered phase. These quantum models have a known connection to classical statistical mechanical…

Quantum Physics · Physics 2008-07-03 Damian F. Abasto , Alioscia Hamma , Paolo Zanardi

In this article we study the sharpness of the phase transition for percolation models defined on top of planar spin systems. The two examples that we treat in detail concern the Glauber dynamics for the Ising model and a Dynamic Bootstrap…

Probability · Mathematics 2021-05-28 Caio Alves , Gideon Amir , Rangel Baldasso , Augusto Teixeira

We formulate a general shape and topology optimization problem in structural optimization by using a phase field approach. This problem is considered in view of well-posedness and we derive optimality conditions. We relate the diffuse…

Optimization and Control · Mathematics 2025-08-06 Luise Blank , Harald Garcke , Claudia Hecht , Christoph Rupprecht

Over the past few decades, the phase-field method for fracture has seen widespread appeal due to the many benefits associated with its ability to regularize a sharp crack geometry. Along the way, several different models for including the…

Computational Engineering, Finance, and Science · Computer Science 2023-05-15 Andre Costa , Tianchen Hu , John Dolbow

We consider a continuum phase field model for crystal growth via molecular beam epitaxy, with the goal of determining stable numerical time integration methods for the dynamics. We parametrize a class of semi-implicit methods that are…

Materials Science · Physics 2019-09-26 Gregory M. Seyfarth , Benjamin P. Vollmayr-Lee

We propose a novel approach to approximate numerically shock waves. The method combines the unstructured shock-fitting approach developed in the last decade by some of the authors, with ideas coming from embedded boundary techniques. The…

Numerical Analysis · Mathematics 2024-02-22 Mirco Ciallella , Mario Ricchiuto , Renato Paciorri , Aldo Bonfiglioli

Exact characterization of phase transitions requires sufficient configurational sampling, necessitating efficient and accurate potential energy surfaces. Molecular force fields with computational efficiency and physical interpretability are…

Statistical Mechanics · Physics 2025-10-21 Bin Jin , Bin Han , Wei Feng , Kuang Yu , Shenzhen Xu

Different numerical approaches for the stray-field calculation in the context of micromagnetic simulations are investigated. We compare finite difference based fast Fourier transform methods, tensor grid methods and the finite-element…

Computational Physics · Physics 2014-10-27 Claas Abert , Lukas Exl , Gunnar Selke , André Drews , Thomas Schrefl

A new formulation of the Phase Field Crystal model is presented that is consistent with the necessary microscopic independence between the phase field, reflecting the broken symmetry of the phase, and both mass density and elastic…

Materials Science · Physics 2020-09-09 Amit Acharya , Jorge Viñals

The phase-field method has become a useful tool for the simulation of classical metallurgical phase transformations as well as other phenomena related to materials science. The thermodynamic consistency that forms the basis of these…

We discuss some examples where numerical simulations based on effectively fabricated nanostructures can provide additional insights into an experiment. Focusing on plasmonics, we study Fano resonant systems for optical trapping, realistic…

Optics · Physics 2022-10-27 Andrei Kiselev , Jeonghyeon Kim , Olivier J. F. Martin

The present paper describes the development of a novel and comprehensive computational framework to simulate solidification problems in materials processing, specifically casting processes. Heat transfer, solidification and fluid flow due…

Numerical Analysis · Computer Science 2020-10-06 Shantanu Shahane , Narayana Aluru , Placid Ferreira , Shiv G Kapoor , Surya Pratap Vanka

The phase-field-crystal model is used to access the structure and thermodynamics of interfaces between two coexisting liquid crystalline phases in two spatial dimensions. Depending on the model parameters there is a variety of possible…

Soft Condensed Matter · Physics 2014-01-28 Simon Praetorius , Axel Voigt , Raphael Wittkowski , Hartmut Löwen

We present a phase-field model for the dynamics of the interface between two inmiscible fluids with arbitrary viscosity contrast in a rectangular Hele-Shaw cell. With asymptotic matching techniques we check the model to yield the right…

Soft Condensed Matter · Physics 2009-10-31 R. Folch , J. Casademunt , A. Hernandez-Machado , L. Ramirez-Piscina

Particle-stabilised emulsions are a cornerstone of soft matter science due to their broad application and fundamental relevance. Computer simulations provide key insights into the formation and behaviour of these emulsions, yet current…

Soft Condensed Matter · Physics 2026-02-19 Elisabeth C. Eij , Joost de Graaf , Martin F. Haase , Jesse M. Steenhoff

We introduce a non-isothermal phase-field crystal model including heat flux and thermal expansion of the crystal lattice. The thermal compatibility condition, as well as a positive entropy-production property, is derived analytically and…

Materials Science · Physics 2025-01-23 Maik Punke , Marco Salvalaglio , Axel Voigt , Steven M. Wise