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We consider a modification of the so-called phase-field crystal (PFC) equation introduced by K.R. Elder et al. This variant has recently been proposed by P. Stefanovic et al. to distinguish between elastic relaxation and diffusion time…

Analysis of PDEs · Mathematics 2013-06-26 Maurizio Grasselli , Hao Wu

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

The phase field crystal (PFC) approach extends the notion of phase field models by describing the topology of the microscopic structure of a crystalline material. One of the consequences is that local variation of the interatomic distance…

Materials Science · Physics 2016-05-18 V. Heinonen , C. V. Achim , T. Ala-Nissila

Structural phase transformations of [110] electric field cooled Pb(Mg1/3Nb2/3)O3-30%PbTiO3 (PMN-30%PT) crystals have been performed by x-ray diffraction in a field-cooled (FC) condition. A phase sequence of…

Materials Science · Physics 2009-11-11 Hu Cao , Feiming Bai , Naigang Wang , Jiefang Li , D. Viehland , Guangyong Xu , Gen Shirane

In this work, phase diagrams of a modified two-mode phase-field crystal (PFC) that show two-dimensional (2D) and three-dimensional (3D) crystallographic structures were determined by utilizing a free energy minimization method. In this…

Materials Science · Physics 2017-06-06 Arezoo Emdadi , Mohsen Asle Zaeem , Ebrahim Asadi

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

We report on a novel extension of the recent phase-field crystal (PFC) method introduced in [Elder et al., Phys. Rev. Lett., Vol. 88, 245701:1-4 (2002)], which incorporates elastic interactions as well as crystal plasticity and diffusive…

Materials Science · Physics 2009-11-11 Peter Stefanovic , Mikko Haataja , Nikolas Provatas

The study of polycrystalline materials requires theoretical and computational techniques enabling multiscale investigations. The amplitude expansion of the phase field crystal model (APFC) allows for describing crystal lattice properties on…

Computational Physics · Physics 2019-04-25 Simon Praetorius , Marco Salvalaglio , Axel Voigt

The phase-field-crystal (PFC) modeling paradigm is rapidly emerging as the model of choice when investigating materials phenomena with atomistic scale effects over diffusive time scales. Recent variants of the PFC model, so-called…

Materials Science · Physics 2015-06-16 Nana Ofori-Opoku , Jonathan Stolle , Zhi-Feng Huang , Nikolas Provatas

Phase diagrams of [001] and [110] field-cooled (FC) (1-x)Pb(Mg1/3Nb2/3O3)-xPbTiO3 or PMN-xPT crystals have been constructed, based on high-resolution x-ray diffraction data. Comparisons reveal several interesting findings. First, a region…

Materials Science · Physics 2009-11-11 Hu Cao , Jiefang Li

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

In this paper, we investigate the continuity of the attractors in time-dependent phase spaces. (i) We establish two abstract criteria on the upper semicontinuity and the residual continuity of the pullback $\mathscr D$-attractor with…

Analysis of PDEs · Mathematics 2022-01-11 Yanan Li , Zhijian Yang

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

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

The relaxed physical factorization (RPF) preconditioner is a recent algorithm allowing for the efficient and robust solution to the block linear systems arising from the three-field displacement-velocity-pressure formulation of coupled…

Numerical Analysis · Mathematics 2021-08-10 Matteo Frigo , Nicola Castelletto , Massimiliano Ferronato

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

In this paper we present two unconditionally energy stable finite difference schemes for the Modified Phase Field Crystal (MPFC) equation, a sixth-order nonlinear damped wave equation, of which the purely parabolic Phase Field Crystal (PFC)…

Numerical Analysis · Mathematics 2015-06-11 Arvind Baskaran , Peng Zhou , Zhengzheng Hu , Cheng Wang , Steven M. Wise , John S. Lowengrub

The phase diagram of the prototype antiferroelectric liquid crystal MHPOBC in dependence of enantiomeric excess was measured. It was shown that the SmCbeta phase in very pure samples is the SmCFI2 phase with a four layer structure, and only…

Soft Condensed Matter · Physics 2007-05-23 E. Gorecka , D. Pociecha , M. Cepic , B. Zeks , R. Dabrowski

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

Dendritic growth, and the formation of material microstructure in general, necessarily involves a wide range of length scales from the atomic up to sample dimensions. The phase field approach of Langer, enhanced by optimal asymptotic…

Materials Science · Physics 2015-06-25 Nigel Goldenfeld , Badrinarayan P. Athreya , Jonathan A. Dantzig
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