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The ability to use external magnetic fields to influence the microstructure in polycrystalline materials has potential applications in microstructural engineering. To explore this potential and to understand the complex interactions between…

Materials Science · Physics 2019-04-03 R. Backofen , K. R. Elder , A. Voigt

Phase field crystals (PFC) are a tool for simulating materials at the atomic level. They combine the small length-scale resolution of molecular dynamics (MD) with the ability to simulate dynamics on mesoscopic time scales. We show how PFC…

Materials Science · Physics 2015-05-13 P. F. Tupper , Martin Grant

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

Phase field crystal (PFC) models constitute a field theoretical approach to solidification, melting and related phenomena at atomic length and diffusive time scales. One of the advantages of these models is that they naturally contain…

Materials Science · Physics 2015-06-18 V. Heinonen , C. V. Achim , K. R. Elder , S. Buyukdagli , T. Ala-Nissila

We present a phase-field crystal (PFC) model for solidification that accounts for thermal transport and a temperature-dependent lattice parameter. Elasticity effects are characterized through the continuous elastic field computed from the…

Materials Science · Physics 2023-01-26 Maik Punke , Steven M. Wise , Axel Voigt , Marco Salvalaglio

We derive the amplitude expansion for a phase-field-crystal (APFC) model that captures the basic physics of magneto-structural interactions. The symmetry breaking due to magnetization is demonstrated, and the characterization of the…

Materials Science · Physics 2023-01-02 Rainer Backofen , Marco Salvalaglio , Axel Voigt

The amplitude expansion for a magnetic phase-field-crystal (magnetic APFC) model enables a convenient coarse-grained description of crystalline structures under the influence of magnetic fields. Considering higher-order magnetic coupling…

Materials Science · Physics 2022-11-01 Rainer Backofen , Marco Salvalaglio , Axel Voigt

External magnetic fields provide a macroscopic control mechanism to influence the microstructure of polycrystalline materials. We model the influence of strong magnetic fields on grain growth in thin films with a magnetic extended phase…

Materials Science · Physics 2023-01-02 Rainer Backofen , Axel Voigt

Applied magnetic fields can alter phase equilibria and kinetics in steels; however, quantitatively resolving how magnetic, chemical, and elastic driving forces jointly influence the microstructure remains challenging. We develop a…

We apply the phase field crystal model to study the structure and energy of symmetric tilt grain boundaries of bcc iron in 3D. The parameters for the model are obtained by using a recently developed eight-order fitting scheme [A. Jaatinen…

Materials Science · Physics 2010-06-29 A. Jaatinen , C. V. Achim , K. R. Elder , T. Ala-Nissila

The phase-field crystal (PFC) model describes crystal structures at diffusive timescales through a periodic, microscopic density field. It has been proposed to model elasticity in crystal growth and encodes most of the phenomenology related…

Materials Science · Physics 2025-01-23 Maik Punke , Marco Salvalaglio

We consider periodic domain structures which appear due to the magnetoelastic interaction if the antiferromagnetic crystal is attached to an elastic substrate. The peculiar behavior of such structures in an external magnetic field is…

Materials Science · Physics 2009-11-11 Efim A. Brener , V. I. Marchenko

Understanding the dynamic behavior of the domain structure is critical to the design and application of super-elastic freestanding ferroelectric thin films. The phase-field simulation is currently a powerful tool for observing, exploring,…

Materials Science · Physics 2022-08-19 Changqing Guo , Houbing Huang

We describe a general method to model multicomponent ordered crystals using the phase-field crystal (PFC) formalism. As a test case, a generic B2 compound is investigated. We are able to produce a line of either first-order or second-order…

Materials Science · Physics 2017-02-15 Eli Alster , K. R. Elder , Jeffrey J. Hoyt , Peter W. Voorhees

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

We investigate bulk thermodynamic and microscopic structural properties of amorphous solids in the framework of the phase-field crystal (PFC) model. These are metastable states with a non-uniform density distribution having no long-range…

Soft Condensed Matter · Physics 2024-09-11 Shaho Abdalla , Andrew J. Archer , László Gránásy , Gyula I. Tóth

We introduce a Phase Field Crystal (PFC) model for particles with n-fold rotational symmetry in two dimensions. Our approach is based on a free energy functional that depends on the reduced one-particle density, the strength of the…

Soft Condensed Matter · Physics 2023-02-02 Robert F. B. Weigel , Michael Schmiedeberg

Several new features arise in the ground-state phase diagram of a spin-1 condensate trapped in an optical trap when the magnetic dipole interaction between the atoms is taken into account along with confinement and spin precession. The…

Quantum Gases · Physics 2010-02-06 Jonas A. Kjäll , Andrew M. Essin , Joel E. Moore

Material properties controlled by evolving defect structures, such as mechanical response, often involve processes spanning many length and time scales which cannot be modeled using a single approach. We present a variety of new results…

Materials Science · Physics 2015-06-19 Joel Berry , Nikolas Provatas , Jörg Rottler , Chad W. Sinclair

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
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