Related papers: Burton-Cabrera-Frank theory for surfaces with alte…
This study presents a comprehensive and innovative exploration of how the surface potential energy landscape influences meander formation. Using the Vicinal Cellular Automaton model, which distinguishes surface diffusion from adatom…
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…
The stochastic trajectories of molecules in living cells, as well as the dynamics in many other complex systems, often exhibit memory in their path over long periods of time. In addition, these systems can show dynamic heterogeneities due…
A fast spectral-domain method is proposed to evaluate the reaction terms between the Macro Basis Functions in regular and non-regular arrays made of identical printed antennas. The presented technique first exploits the filtering…
A continuum model for growth of solids is developed, considering adatom deposition, surface diffusion, and configuration dependent incorporation rate. For amorphous solids it is related to surface energy densities. The high adatom density…
The hydrodynamic description of the Fermi arc surface states is proposed. In view of the strong suppression of scattering on impurities, the hydrodynamic regime for Fermi arc states should be, in principle, plausible. By using the kinetic…
Immense interests in thin-film fabrication for industrial applications have driven both theoretical and computational aspects of modeling its growth with an aim to design and control film's surface morphology. Oftentimes, smooth surface is…
The variable two-step backward differentiation formula (BDF2) is revisited via a new theoretical framework using the positive semi-definiteness of BDF2 convolution kernels and a class of orthogonal convolution kernels. We prove that, if the…
Below the roughening transition, crystal surfaces exhibit nanoscale line defects, steps, that move by exchanging atoms with their environment. In homoepitaxy, we analytically show how the motion of a step train in vacuum under strong…
The results of a density-functional-theory study of the formation energies of (100)- and (111)-faceted steps on the Pt(111) surface, as well as of the barrier for diffusion of an adatom on the flat surface, are presented. The step formation…
Using the methods of computer modeling this scientific paper studies the special features of diffusion of the particles subjected to the external periodic force in the crystal lattice. The particle motion is described by a Langevin…
In limited mobility (LM) models of thin film deposition, the final position of each atom or molecule is chosen according to a set of stochastic rules before the incidence of another atom or molecule. Here we investigate the possibility of a…
We derive the equations that describe adsorption of diffusing particles onto a surface followed by additional surface kinetic steps before being transported across the interface. Multistage surface kinetics occurs during membrane protein…
This study presents a phase field model for brittle fracture in fluid-infiltrating vuggy porous media. While the state-of-the-art in hydraulic phase field fracture considers Darcian fracture flow with enhanced permeability along the crack,…
Using classical density functional theory (DFT) the effect of bringing a liquid crystal (LC) into contact with a porous substrate or matrix is investigated. The DFT used is a combination of the Onsager approximation to evaluate the excess…
The formation of stable dimers on top of terraces during epitaxial growth is investigated in detail. In this paper we focus on mean-field theory, the standard approach to study nucleation. Such theory is shown to be unsuitable for the…
The diffusion of a particle in a crowded environment typically proceeds through three regimes: for very short times the particle diffuses freely until it collides with an obstacle for the first time, while for very long times diffusion the…
Step meandering during growth of gallium nitride (0001) surface is studied using kinetic Monte Carlo method. Simulated growth process, conducted in N-rich conditions are therefore controlled by Ga atoms surface diffusion. The model employs…
The temperature dependence of the dynamics of water inside microporous activated carbon fibers (ACF) is investigated by means of incoherent elastic and quasi- elastic neutron scattering techniques. The aim is to evaluate the effect of…
Density functional theory calculations can be used to identify dominant reaction mechanisms. However, the dominant reaction mechanism is sensitive to choice of the exchange correlation functional. Here, we demonstrate using the example case…