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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…

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

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

Whereas many different models exist in the mathematical and physics literature for ground states of non-relativistic crystals, the relativistic case has been much less studied and we are not aware of any mathematical result on a fully…

Analysis of PDEs · Mathematics 2024-06-27 Isabelle Catto , Long Meng , Eric Paturel , Eric Séré

We point out the high physical correctness of the use and the concept of the crystal-field approach, even if is used to metallic magnetic materials of transition-metal 3d/4f/5f compounds. We discuss the place of the crystal-field theory in…

Strongly Correlated Electrons · Physics 2008-10-08 R. J. Radwanski , Z. Ropka

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…

Soft Condensed Matter · Physics 2014-01-28 Raphael Wittkowski , Hartmut Löwen , Helmut R. Brand

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…

In this article, we set up a functional setting for mean-field electronic structure models of Hartree-Fock or Kohn-Sham types for disordered crystals. The electrons are quantum particles and the nuclei are classical point-like articles…

Mathematical Physics · Physics 2013-12-11 Eric Cancès , Salma Lahbabi , Mathieu Lewin

Using a phase field crystal model we study the structure and dynamics of a drop of colloidal suspension during evaporation of the solvent. We model an experimental system where contact line pinning of the drop on the substrate is…

Soft Condensed Matter · Physics 2012-09-06 Nirmalendu Ganai , Arnab Saha , Surajit Sengupta

We discuss an active phase field crystal (PFC) model that describes a mixture of active and passive particles. First, a microscopic derivation from dynamical density functional theory (DDFT) is presented that includes a systematic treatment…

Soft Condensed Matter · Physics 2022-10-26 Michael te Vrugt , Max Philipp Holl , Aron Koch , Raphael Wittkowski , Uwe Thiele

A space-periodic ground state is shown to exist for lattices of point ions in $\R^3$ coupled to the Schr\"odinger and scalar fields. The coupling requires the renormalization of the selfaction because of the singularity of the Coulomb…

Quantum Physics · Physics 2015-12-01 A. I. Komech

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

We infer that soft-x-ray absorption spectroscopy is a versatile method for the determination of the crystal-field ground state symmetry of rare earth Heavy Fermion systems, complementing neutron scattering. Using realistic and universal…

Strongly Correlated Electrons · Physics 2008-04-07 P. Hansmann , A. Severing , Z. Hu , M. W. Haverkort , C. F. Chang , S. Klein , A. Tanaka , H. H. Hsieh , H. -J. Lin , C. T. Chen , B. Fåk , P. Lejay , L. H. Tjeng

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

Superconductivity owes its properties to the phase of the electron pair condensate that breaks the $U(1)$ symmetry. In the most traditional ground state, the phase is uniform and rigid. The normal state can be unstable towards special…

Superconductivity · Physics 2020-02-05 P. Holmvall , M. Fogelström , T. Löfwander , A. B. Vorontsov

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

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…

Soft Condensed Matter · Physics 2012-08-31 Mark J. Robbins , Andrew J. Archer , Uwe Thiele , Edgar Knobloch

A recently introduced active phase field crystal model describes the formation of ordered resting and traveling crystals in systems of self-propelled particles. Increasing the active drive, a resting crystal can be forced to perform…

Soft Condensed Matter · Physics 2014-02-18 Andreas M. Menzel , Takao Ohta , Hartmut Löwen

In materials science the phase field crystal approach has become popular to model crystallization processes. Phase field crystal models are in essence Landau-Ginzburg-type models, which should be derivable from the underlying microscopic…

Soft Condensed Matter · Physics 2013-05-30 M. Oettel , S. Dorosz , M. Berghoff , B. Nestler , T. Schilling

A continuum density-field formulation with particle-scale resolution is constructed to simultaneously incorporate the orientation dependence of interparticle interactions and the rotational invariance of the system, a fundamental but…

Materials Science · Physics 2018-05-28 Zi-Le Wang , Zhirong Liu , Zhi-Feng Huang

The solidification of polycrystalline materials can be modelled by orientation-field models, which are formulated in terms of two continuous fields: a phase field that describes the thermodynamic state and an orientation field that…

Materials Science · Physics 2015-06-05 Hervé Henry , Jesper Mellenthin , Mathis Plapp
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