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Motivated by the experimental ability to produce monodisperse particles in microfluidic devices, we study theoretically the hydrodynamic stability of driven and active crystals. We first recall the theoretical tools allowing to quantify the…

Soft Condensed Matter · Physics 2012-09-06 Nicolas Desreumaux , Nicolas Florent , Eric Lauga , Denis Bartolo

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

Based on static and dynamical density functional theory, a phase-field-crystal model is derived which involves both the translational density and the orientational degree of ordering as well as a local director field. The model exhibits…

Soft Condensed Matter · Physics 2015-05-19 Hartmut Löwen

Using the recently developed theory of rigorously validated numerics, we address the Phase-Field-Crystal (PFC) model at the microscopic (atomistic) level. We show the existence of critical points and local minimizers associated with…

Numerical Analysis · Mathematics 2022-02-23 Gabriel Martine-La Boissoniere , Rustum Choksi , Jean-Philippe Lessard

Phase field crystal (PFC) models constitute central tools for a microscopic understanding of the dynamics of complex systems in soft matter physics. They have found widespread application in the modeling of the uniaxial orientational…

Soft Condensed Matter · Physics 2026-01-22 Anouar El Moumane , René Wittmann , Hartmut Löwen , Michael te Vrugt

Phase-Field Crystal (PFC) models are able to resolve atomic length scale features of materials during temporal evolution over diffusive time scales. Traditional PFC models contain solid and liquid phases, however many important materials…

Materials Science · Physics 2015-06-16 Edwin J. Schwalbach , James A. Warren , Kuo-An Wu , Peter W. Voorhees

We review how phase-field models contributed to the understanding of various aspects of crystal nucleation including homogeneous and heterogeneous processes, and their role in microstructure evolution. We recall results obtained both by the…

We present thermodynamic relationships between the free energy of the phase-field crystal (PFC) model and thermodynamic state variables for bulk phases under hydrostatic pressure. This relationship is derived based on the thermodynamic…

Materials Science · Physics 2015-02-09 Victor W. L. Chan , Nirand Pisutha-Arnond , Katsuyo Thornton

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

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

The dynamics of phase field crystal (PFC) modeling is derived from dynamical density functional theory (DDFT), for both single-component and binary systems. The derivation is based on a truncation up to the three-point direct correlation…

Materials Science · Physics 2015-05-19 Zhi-Feng Huang , K. R. Elder , Nikolas Provatas

The anisotropic phase-field crystal model recently proposed and used by Prieler et al. [J. Phys.: Condens. Matter 21, 464110 (2009)] is derived from microscopic density functional theory for anisotropic particles with fixed orientation.…

Materials Science · Physics 2015-05-27 Muhammad Ajmal Choudhary , Daming Li , Heike Emmerich , Hartmut Löwen

We introduce a dislocation density tensor and derive its kinematic evolution law from a phase field description of crystal deformations in three dimensions. The phase field crystal (PFC) model is used to define the lattice distortion,…

Materials Science · Physics 2022-06-06 Vidar Skogvoll , Luiza Angheluta , Audun Skaugen , Marco Salvalaglio , Jorge Viñals

The phase-field-crystal model for liquid crystals is solved numerically in two spatial dimensions. This model is formulated with three position-dependent order parameters, namely the reduced translational density, the local nematic order…

Soft Condensed Matter · Physics 2014-01-28 Cristian Vasile Achim , Raphael Wittkowski , Hartmut Löwen

Here, we review the basic concepts and applications of the phase-field-crystal (PFC) method, which is one of the latest simulation methodologies in materials science for problems, where atomic- and microscales are tightly coupled. The PFC…

We study experimentally and numerically the motion of a self-phoretic active particle in two-dimensional (2D) loosely-packed colloidal crystals at fluid interfaces. Two scenarios emerge depending on the interaction between the active…

Soft Condensed Matter · Physics 2018-07-04 Kilian Dietrich , Ivo Buttinoni , Giovanni Volpe , Lucio Isa

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 investigate the dynamics of an active particle in two-dimensional spherical crystals, which provide an ideal environment to illustrate the interplay of active particle and crystallographic defects. A moving active particle is observed to…

Soft Condensed Matter · Physics 2016-08-05 Zhenwei Yao

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

We develop and analyze a two-mode phase-field-crystal model to describe fcc ordering. The model is formulated by coupling two different sets of crystal density waves corresponding to <111> and <200> reciprocal lattice vectors, which are…

Materials Science · Physics 2010-07-01 Kuo-An Wu , Ari Adland , Alain Karma