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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 BCF theory of crystal growth has been successful in describing a wide range of phenomena in surface physics. Typical crystal surfaces are slightly misoriented with respect to a facet plane; thus, the BCF theory views such systems as…

Mesoscale and Nanoscale Physics · Physics 2015-03-12 Paul N. Patrone , T. L. Einstein , Dionisios Margetis

Generating novel crystalline materials has the potential to lead to advancements in fields such as electronics, energy storage, and catalysis. The defining characteristic of crystals is their symmetry, which plays a central role in…

We address a three-dimensional, coarse-grained description of dislocation networks at grain boundaries between rotated crystals. The so-called amplitude expansion of the phase-field crystal model is exploited with the aid of finite element…

Materials Science · Physics 2018-05-31 Marco Salvalaglio , Rainer Backofen , K. R. Elder , Axel Voigt

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…

Mathematical Physics · Physics 2015-07-29 Philippe Vignal , Lisandro Dalcin , Donald L. Brown , Nathan Collier , Victor M. Calo

The crystalline electric field (CEF) is investigated in Pr$_3$Pt$_{23}$Si$_{11}$ and Nd$_3$Pt$_{23}$Si$_{11}$ by neutron spectroscopy (NS). At low temperature, the number of observed CEF excitations is consistent with the orthorhombic…

Strongly Correlated Electrons · Physics 2016-12-13 R. M. Galéra , C. Opagiste , M. Amara , J. C. Toussaint , M. B. Lepetit , S. Rols

A phase field theory of polycrystalline solidification is presented that is able to describe the nucleation and growth of anisotropic particles with different crystallographic orientation in three dimensions. As opposed with the…

Materials Science · Physics 2009-11-11 T. Pusztai , G. Bortel , L. Granasy

We study electronic structures of quasi-two-dimensional finite electron systems in high magnetic fields. The solutions in the fractional quantum Hall regime are interpreted as quantum liquids of electrons and off-electron vortices. The…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Henri Saarikoski , Ari Harju

We investigate the crystal structure of classical systems of spherical particles with an embedded point dipole at T=0. The ferroelectric ground state energy is calculated using generalizations of the Ewald summation technique. Due to the…

Soft Condensed Matter · Physics 2009-10-31 B. Groh , S. Dietrich

In our previous paper [H. K., J.Stat.Mech.(2015) P08020], we investigated an interacting-particle model with infinite-range cosine potentials, and derived the partition function which shows solid-fluid phase transition by exact calculation.…

Statistical Mechanics · Physics 2017-12-08 Hisato Komatsu

We present a derivation of the recently proposed eighth order phase field crystal model [Jaatinen et al., Phys. Rev. E 80, 031602 (2009)] for the crystallization of a solid from an undercooled melt. The model is used to study the planar…

Materials Science · Physics 2015-05-20 A. Jaatinen , T. Ala-Nissila

We find an order-disorder transition from crystals to disordered crystals for static packings of frictionless spheres. While the geometric indicators are mostly blind to the transition, disordered crystals already exhibit properties apart…

Soft Condensed Matter · Physics 2015-10-26 Hua Tong , Peng Tan , Ning Xu

The short-range attraction and long-range repulsion (SALR) between nanoparticles or macromolecules can lead to spontaneous pattern formation on solid surfaces, fluid interfaces or membranes. In order to study the self-assembly in such…

Soft Condensed Matter · Physics 2014-01-07 J. Pekalski , A. Ciach , N. Almarza

We demonstrate how the mixed dynamic form factor (MDFF) can be interpreted as a quadratic form. This makes it possible to use matrix diagonalization methods to reduce the number of terms that need to be taken into account when calculating…

Materials Science · Physics 2017-02-16 Stefan Löffler , Viktoria Motsch , Peter Schattschneider

We present a mesoscale description of deformations and defects in thin, flexible sheets with crystalline order, tackling the interplay between in-plane elasticity, out-of-plane deformation, as well as dislocation nucleation and motion. Our…

Materials Science · Physics 2025-02-26 Lucas Benoit--Maréchal , Ingo Nitschke , Axel Voigt , Marco Salvalaglio

Phase field crystal (PFC) theory, extensively used for modelling the structure of solids, can be derived from dynamical density functional theory (DDFT) via a sequence of approximations. Standard derivations neglect a term of form…

Soft Condensed Matter · Physics 2019-09-04 Andrew J. Archer , Daniel J. Ratliff , Alastair M. Rucklidge , Priya Subramanian

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)…

Soft Condensed Matter · Physics 2017-08-07 Sai Tang , Simon Praetorius , Rainer Backofen , Axel Voigt , Yan-Mei Yu , Jincheng Wang

We study a Phase-Field-Crystal model described by a free energy functional involving second order derivatives of the order parameter in a periodic setting and under a fixed mass constraint. We prove a $\Gamma$-convergence result in an…

Analysis of PDEs · Mathematics 2019-09-04 Radu Ignat , Hamdi Zorgati

The active Phase-Field-Crystal (aPFC) model combines elements of the Toner-Tu theory for self-propelled particles and the classical Phase-Field-Crystal (PFC) model that describes the transition between liquid to crystalline phases. In the…

Pattern Formation and Solitons · Physics 2021-02-25 Lukas Ophaus , Johannes Kirchner , Svetlana V. Gurevich , Uwe Thiele

It has recently been shown that one-dimensional Ising problems can have degenerate, disordered ground states (GSs) over a finite range of coupling onstants, ie, without `fine tuning'. The disorder is however of a special kind, consisting of…

Condensed Matter · Physics 2016-08-31 Jaichul Yi , Geoff S. Canright
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