Related papers: Combining phase field crystal methods with a Cahn-…
We study numerically the phase diagram and the response under a driving force of the phase field crystal model for pinned lattice systems introduced recently for both one and two dimensional systems. The model describes the lattice system…
A theoretical model of shape-anisometric particles embedded in a cubic lattice is formulated for binary mixtures combining rod-like, plate-like and spherical particles. The model aims at providing a tool for the prediction and…
This study evaluates four widely used fracture simulation methods, comparing their computational expenses and implementation complexities within the Finite Element (FE) framework when employed on heterogeneous solids. Fracture methods…
A Double Ising Spin model for uniaxially structurally modulated materials exhibits as a special feature phase transitions between phases with equal wave numbers but different pseudo spin configurations. The character of these `internal'…
The critical dynamics of dislocation avalanches in plastic flow is examined using a phase field crystal (PFC) model. In the model, dislocations are naturally created, without any \textit{ad hoc} creation rules, by applying a shearing force…
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…
A phase-field formulation is introduced to simulate quantitatively microstructural pattern formation in alloys. The thin-interface limit of this formulation yields a much less stringent restriction on the choice of interface thickness than…
This paper studies how solute segregation and its relationship to grain boundary energy in binary alloys is captured in the phase field crystal (PFC) formalism, a continuum method that incorporates atomic scale elasto-plastic effects on…
The electronic and structural properties of a material are strongly determined by its symmetry. Changing the symmetry via a photoinduced phase transition offers new ways to manipulate material properties on ultrafast timescales. However, in…
Various phase transitions in models for coupled charge-density waves are investigated by means of the $\epsilon$-expansion, mean-field theory, and Monte Carlo simulations. At zero temperature the effective action for the system with…
The dynamical mechanisms underlying the grain evolution and growth are of fundamental importance in controlling the structural properties of large-scale polycrystalline materials, but the effects of lattice ordering and distinct atomic…
We review our recent modeling of crystal nucleation and polycrystalline growth using a phase field theory. First, we consider the applicability of phase field theory for describing crystal nucleation in a model hard sphere fluid. It is…
The inherent inconsistency in identifying the phase field in the phase field crystal Theory with the material mass and, simultaneously, with material distortion is discussed. In its current implementation, elastic relaxation in the phase…
We introduce a phenomenological continuum model for mode III dynamic fracture that is based on the phase-field methodology used extensively to model interfacial pattern formation. We couple a scalar field, which distinguishes between…
Photonic crystals and metamaterials represent two seemingly different classes of artificial electromagnetic media but often they are composed of similar structural elements arranged in periodic lattices. The important question is how to…
The accurate determination of magnetic phase transitions in electronic systems is an important task of solid state theory. While numerically exact results are readily available for model systems such as the half-filled 3D Hubbard model, the…
Polycrystalline hafnia-based thin films exhibit mixed ferroelectric (FE), antiferroelectric (AFE), and dielectric (DE) behavior, with switching characteristics strongly influenced by microstructure and phase distribution. Here, we develop a…
In this work, we analytically investigate a multi-component system for describing phase separation and damage processes in solids. The model consists of a parabolic diffusion equation of fourth order for the concentration coupled with an…
Within this work, we develop a phase-field description for simulating fractures in incompressible materials. Standard formulations are subject to volume-locking when the solid is (nearly) incompressible. We propose an approach that builds…
Hubbard-type models on the hexagonal lattice are of great interest, as they provide realistic descriptions of graphene and other related materials. Hybrid Monte Carlo simulations offer a first-principles approach to study their phase…