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Transport phenomena are studied for a binary (AB) alloy on a rigid square lattice with nearest-neighbor attraction between unlike particles, assuming a small concentration $c_v$ of vacancies $V$ being present, to which $A(B)$ particles can…

Statistical Mechanics · Physics 2007-05-23 A. De Virgiliis , K. Binder

As a departure from existing continuum approaches for describing the stability and evolution of surfaces of crystalline materials, this article provides a description of surface evolution based on the physics of the main feature imposed by…

Condensed Matter · Physics 2009-11-07 V. B. Shenoy , L. B. Freund

We report on density functional total energy calculations of the step formation and interaction energies for vicinal TaC(001) surfaces. Our calculations show that double and triple-height steps are favored over single-height steps for a…

Condensed Matter · Physics 2009-11-07 V. B. Shenoy , C. V. Ciobanu

We study current-induced step bunching and wandering instabilities with subsequent pattern formations on vicinal surfaces. A novel two-region diffusion model is developed, where we assume that there are different diffusion rates on terraces…

Materials Science · Physics 2009-11-10 T. Zhao , J. D. Weeks

Soft condensed matter structures often challenge us with complex many-body phenomena governed by collective modes spanning wide spatial and temporal domains. In order to successfully tackle such problems mesoscopic coarse-grained (CG)…

Soft Condensed Matter · Physics 2023-07-12 Vlad P Sokhan , Michael A Seaton , Ilian T Todorov

We introduce an algorithm for treating growth on surfaces which combines important features of continuum methods (such as the level-set method) and Kinetic Monte Carlo (KMC) simulations. We treat the motion of adatoms in continuum theory,…

Materials Science · Physics 2009-11-10 G. Russo , L. M. Sander , P. Smereka

We study the statistics of the number of executed hops of adatoms at the surface of films grown with the Clarke-Vvedensky (CV) model in simple cubic lattices. The distributions of this number, $N$, are determined in films with average…

Statistical Mechanics · Physics 2020-07-27 Edwin E. Mozo Luis , Ismael S. S. Carrasco , Thiago A. de Assis , Fábio D. A. Aarão Reis

Epitaxial growth via chemical vapor deposition is considered to be the most promising way towards synthesizing large area graphene with high quality. However, it remains a big theoretical challenge to reveal growth kinetics with atomically…

Chemical Physics · Physics 2015-09-30 Huijun Jiang , Zhonghuai Hou

Step pattern stability of the vicinal surfaces during growth was analyzed using various surface kinetic models. It was shown that standard analysis of the vicinal surfaces provides no indication on the possible step coalescence and…

The morphological development of step edge patterns in the presence of meandering instability during step flow growth is studied by simulations and numerical integration of a continuum model. It is demonstrated that the kink…

Materials Science · Physics 2009-11-07 M. Rusanen , I. T. Koponen , T. Ala-Nissila , C. Ghosh , T. S. Rahman

Anomalous-diffusion, the departure of the spreading dynamics of diffusing particles from the traditional law of Brownian-motion, is a signature feature of a large number of complex soft-matter and biological systems. Anomalous-diffusion…

Motivated by experimental progress in strongly coupled atom-photon systems in optical cavities, we study theoretically the quantum dynamics of atoms coupled to a one-dimensional dynamical optical lattice. The dynamical lattice is chosen to…

Quantum Gases · Physics 2018-02-14 Wei Zheng , Nigel R. Cooper

We present a theoretical analysis of the dynamic structure factor (DSF) of a liquid at and below the mode coupling critical temperature $T_c$, by developing a self-consistent theoretical treatment which includes the contributions both from…

Statistical Mechanics · Physics 2007-05-23 Sarika Maitra Bhattacharyya , Biman Bagchi , Peter G. Wolynes

This paper provides an elementary introduction to the basic concepts used in describing epitaxial crystal growth in terms of the thermodynamics and kinetics of atomic steps. Selected applications to morphological instabilities of stepped…

Materials Science · Physics 2007-05-23 Joachim Krug

The formation and dynamics of free-surface structures, such as steps or terraces and their interplay with the phase separation in the bulk are key features of diblock copolymer films. We present a phase-field model with an obstacle…

Computational Physics · Physics 2017-12-06 Quentin Parsons , David Kay , Andreas Münch

Kinetic facilitated models and the Mode Coupling Theory (MCT) model B are within those systems known to exhibit a discontinuous dynamical transition with a two step relaxation. We consider a general scaling approach, within mean field…

Statistical Mechanics · Physics 2016-05-26 Antonio de Candia , Annalisa Fierro , Antonio Coniglio

An implicit variable-step BDF2 scheme is established for solving the space fractional Cahn-Hilliard equation, involving the fractional Laplacian, derived from a gradient flow in the negative order Sobolev space $H^{-\alpha}$,…

Numerical Analysis · Mathematics 2023-06-26 Xuan Zhao , Zhongqin Xue

We investigate the phase diagram of a two-component associating fluid mixture in the presence of selectively adsorbing substrates. The mixture is characterized by a bulk phase diagram which displays peculiar features such as closed loops of…

Statistical Mechanics · Physics 2009-11-07 J. M. Romero-Enrique , L. F. Rull , U. Marini Bettolo Marconi

A lattice model is used to study repulsive active particles at a planar surface. A rejection-free Kinetic Monte Carlo method is employed to characterize the wetting behaviour. The model predicts a mobility induced phase separation of active…

Soft Condensed Matter · Physics 2020-11-12 Pedro Neta , Mykola Tasinkevych , Margarida Telo da Gama , Cristóvão Dias

In this study the growth process of epitaxial graphene on SiC was investigated systematically. The transition from the initial buffer layer growth to the formation of the first monolayer graphene domains was investigated by various…