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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…

软凝聚态物质 · 物理学 2015-05-19 Hartmut Löwen

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…

材料科学 · 物理学 2010-07-01 Kuo-An Wu , Ari Adland , Alain Karma

Using a generalized order parameter gradient expansion within density functional theory, we derive a phase-field-crystal model for liquid crystals composed by apolar particles in three spatial dimensions. Both the translational density and…

软凝聚态物质 · 物理学 2014-01-28 Raphael Wittkowski , Hartmut Löwen , Helmut R. Brand

A modified phase field crystal model in which the free energy may be minimised by an order parameter profile having isolated bumps is investigated. The phase diagram is calculated in one and two dimensions and we locate the regions where…

软凝聚态物质 · 物理学 2012-08-31 Mark J. Robbins , Andrew J. Archer , Uwe Thiele , Edgar Knobloch

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…

软凝聚态物质 · 物理学 2023-02-02 Robert F. B. Weigel , Michael Schmiedeberg

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…

软凝聚态物质 · 物理学 2014-01-28 Simon Praetorius , Axel Voigt , Raphael Wittkowski , Hartmut Löwen

By using a phase-field crystal (PFC) model, the liquid-crystal growth of the plastic triangular phase is simulated with emphasis on crystal shape and topological defect formation. The equilibrium shape of a plastic triangular crystal (PTC)…

软凝聚态物质 · 物理学 2017-08-07 Sai Tang , Simon Praetorius , Rainer Backofen , Axel Voigt , Yan-Mei Yu , Jincheng Wang

We investigate the possibility to control the symmetry of ordered states in phase-field crystal models by tuning nonlinear resonances. In two dimensions, we find that a state of square symmetry as well as coexistence between squares and…

材料科学 · 物理学 2015-05-19 Kuo-An Wu , Mathis Plapp , Peter W Voorhees

The phase-field crystal equation, a parabolic, sixth-order and nonlinear partial differential equation, has generated considerable interest as a possible solution to problems arising in molecular dynamics. This is because the phase-field…

数学物理 · 物理学 2015-07-29 Philippe Vignal , Lisandro Dalcin , Donald L. Brown , Nathan Collier , Victor M. Calo

Using the density functional formalism we derive expression for the distortion free energy for systems with continuous broken symmetry and use it to derive expression for the elastic constants of smectic phases in which director is tilted…

软凝聚态物质 · 物理学 2009-11-07 Yashwant Singh , Jokhan Ram

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…

材料科学 · 物理学 2015-02-09 Victor W. L. Chan , Nirand Pisutha-Arnond , Katsuyo Thornton

Nematic liquid crystals exhibit configurations in which the underlying ordering changes markedly on macroscopic length scales. Such structures include topological defects in the nematic phase and tactoids within nematic-isotropic…

软凝聚态物质 · 物理学 2020-05-01 Cody D. Schimming , Jorge Viñals

Two-dimensional polar liquid crystals have been discovered recently in monolayers of anisotropic molecules. Here, we provide a systematic theoretical description of liquid-crystalline phases for polar particles in two spatial dimensions.…

软凝聚态物质 · 物理学 2014-01-28 Raphael Wittkowski , Hartmut Löwen , Helmut R. Brand

We study the kinetics of the nematic-isotropic transition in a two-dimensional liquid crystal by using a lattice Boltzmann scheme that couples the tensor order parameter and the flow consistently. Unlike in previous studies, we find the…

软凝聚态物质 · 物理学 2009-11-07 Colin Denniston , Enzo Orlandini , J. M. Yeomans

A general formulation is presented to derive the equation of motion and to demonstrate thermodynamic consistency for several classes of phase field models at once. It applies to models with a conserved phase field, describing either uniform…

材料科学 · 物理学 2011-05-06 Mowei Cheng , Stefaan Cottenier , Heike Emmerich

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…

材料科学 · 物理学 2017-02-15 Eli Alster , K. R. Elder , Jeffrey J. Hoyt , Peter W. Voorhees

We study a discrete version of a biaxial nematic liquid crystal model with external fields via an approach based on the solution of differential identities for the partition function. In the thermodynamic limit, we derive the free energy of…

可精确求解与可积系统 · 物理学 2024-02-12 Giovanni De Matteis , Francesco Giglio , Antonio Moro

A continuum field theory approach is presented for modeling elastic and plastic deformation, free surfaces and multiple crystal orientations in non-equilibrium processing phenomena. Many basic properties of the model are calculated…

软凝聚态物质 · 物理学 2009-11-10 K. R. Elder , Martin Grant

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…

材料科学 · 物理学 2015-06-18 V. Heinonen , C. V. Achim , K. R. Elder , S. Buyukdagli , T. Ala-Nissila

A generalized notion of a nonlocal tensor order parameter is introduced within the framework of the phenomenological approach. This parameter has the form of a traceless tensor correlation function or a tensor integral operator. Based on…

软凝聚态物质 · 物理学 2017-07-14 Alexey N. Kudryavtsev , Petr A. Purtov , Sergey I. Trashkeev
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