Related papers: Phase-field crystal model for ordered crystals
We consider the Blume-Capel model with the quantum tunneling between the excited states. We find a magnetically ordered phase transition induced by quantum fluctuation in a model. The model has no phase transition in the corresponding…
The ordering dynamics of the Higgs field is studied, using techniques inspired by the study of phase ordering in condensed matter physics, as a first step to understanding the evolution of cosmic structure through the formation of…
The standard way of modeling plasticity in polycrystals is by using the crystal plasticity model for single crystals in each grain, and imposing suitable traction and slip boundary conditions across grain boundaries. In this fashion, the…
In this paper, we present and analyze a linear fully discrete second order scheme with variable time steps for the phase field crystal equation. More precisely, we construct a linear adaptive time stepping scheme based on the second order…
A percolation argument and a dilute compressible random field Ising model are used to present a simple model for mixed cyanide crystals. The model reproduces quantitatively several features of the phase diagrams altough some crude…
We explore the ground-state properties of bosons with dipole-dipole interactions in a one-dimensional optical lattice. Remarkably, a crystallization process happens for strong dipolar interactions. Herein, we provide a detailed…
We report a study of the phase behavior of multiple-occupancy crystals through simulation. We argue that in order to reproduce the equilibrium behavior of such crystals it is essential to treat the number of lattice sites as a constraining…
Crystalline defects critically influence material properties, necessitating accurate simulation methods. Existing approaches, from atomic-scale configurations to continuum elasticity, face inherent limitations in modeling…
Photonic crystals (PhCs) have emerged as a popular platform for realizing various topological phases due to their flexibility and potential for device applications. In this article, we present a comprehensive classification of topological…
This article investigates the pseudo transitions of the Blume-Capel model on two-dimensional finite-size lattices. By employing the Wang-Landau sampling method and microcanonical inflection point analysis, we identified the positions of…
Three different topics in phase-field modelling of solidification are discussed, with particular emphasis on the limitations of the currently available modelling approaches. First, thin-interface limits of two-sided phase-field models are…
We study polymorph selection in a model of charged colloids, with a focus on the higher-order structure prior to and during nucleation. Specifically, we carry out molecular dynamics simulations of a repulsive Yukawa system with a slightly…
The hunt for exotic quantum phase transitions described by emergent fractionalized degrees of freedom coupled to gauge fields requires a precise determination of the fixed point structure from the field theoretical side, and an extreme…
Solid materials are commonly classified as crystalline or amorphous based on the presence or absence of long-range order.Metal-organic frameworks (MOFs), like other solids,also display markedly different properties and functions in these…
In this research, atomistic molecular dynamics simulations are combined with mesoscopic phase-field computational methods in order to investigate phase-transformation in polycrystalline Aluminum microstructure. In fact, microstructural…
Complex crystal structures are composed of multiple local environments, and how this type of order emerges spontaneously during crystal growth has yet to be fully understood. We study crystal growth across various structures and along…
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…
We present a minimal Landau theory of plastic-to-crystal phase transitions in which the key components are a multipole-moment order parameter that describes the orientational ordering of the constituent molecules, coupling between such…
We employ a new method for studying compositionally disordered ferroelectric oxides. This method is based on the virtual crystal approximation (VCA), in which two or more component potentials are averaged into a composite atomic potential.…
To make useful connections with experimental measurements, correlated electronic structure theories must accurately predict chemical properties in addition to energies. We present a finite-difference based algorithm to compute first-order…