Related papers: Amplitude phase-field crystal model for the hexago…
A modeling of the soil structure and surface roughness by means of the concepts of the fractal growth is presented. Two parameters are used to control the model: the fragmentation dimension, $D_f$, and the maximum mass of the deposited…
Crystal structures of simple metals and binary alloy phases based on the close-packed hexagonal structure are analyzed within the model of Fermi sphere-Brillouin zone interactions to understand distortions and superlattices. Examination of…
Unlike photons, which are conveniently handled by mirrors and optical fibres without loss of coherence, atoms lose their coherence via atom-atom and atom-wall interactions. This decoherence of atoms deteriorates the performance of atomic…
Here, the frequency degree of freedom is introduced into valley photonic crystals with dual band gaps. Based on the high-order plane wave expansion model, we derive an effective Hamiltonian which characterizes dual band gaps. Metallic…
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…
Modern three-dimensional nanofabrication methods make it possible to generate arbitrarily shaped nanomagnets, including periodic networks of interconnected magnetic nanowires. Structurally similar to optical or acoustic metamaterials, these…
We introduce a phase-field crystal model that creates an array of complex three- and two-dimensional crystal structures via a numerically tractable three-point correlation function. The three-point correlation function is designed in order…
A phase-field crystal model based on the density-field approach incorporating high-order interparticle direct correlations is developed to study vapor-liquid-solid coexistence and transitions within a single continuum description.…
In the electronic packaging and energy storage sectors, the study of Cu6Sn5 intermetallic compound (IMC) is getting more attention. At temperatures above 186 oC, this IMC exists in a hexagonal closed packed (HCP) crystalline structure.…
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…
The mechanisms of void growth and coalescence are key contributors to the ductile failure of crystalline materials. At the grain scale, single crystal plastic anisotropy induces large strain localization leading to complex shape evolutions.…
We show that optical and electrical measurements on pentacene single crystals can be used to extract the density of states in the HOMO-LUMO bandgap. It is found that these highly purified crystals possess band tails broader than those…
In this contribution, a variational diffuse modeling framework for cracks in heterogeneous media is presented. A static order parameter smoothly bridges the discontinuity at material interfaces, while an evolving phase-field captures the…
We present an atomic cluster expansion (ACE) for carbon that improves over available classical and machine learning potentials. The ACE is parameterized from an exhaustive set of important carbon structures at extended volume and energy…
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…
In this paper the relaxed micromorphic continuum model with weighted free and gradient micro-inertia is used to describe the dynamical behavior of a real two-dimensional phononic crystal for a wide range of wavelengths. In particular, a…
The phase field fracture method has emerged as a promising computational tool for modelling a variety of problems including, since recently, hydrogen embrittlement and stress corrosion cracking. In this work, we demonstrate the potential of…
The world of two-dimensional crystals is of great significance for the design and study of structural and functional materials with novel properties. The world of two-dimensional crystals is of great significance for the design and study of…
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…
In this work we propose a general theoretical approach to the modelling of complex dispersion characteristics of leaky optical modes operating in photonic crystal slab composed of two high-index contrast gratings, beyond the protection of…