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For surface-mediated processes, such as on-surface synthesis, epitaxial growth and heterogeneous catalysis, a constant slope in the Arrhenius diagram of the corresponding rate of interest against inverse temperature, $\log R$ {\it vs}…

We present results for the kinetics of phase separation in solid binary mixtures ($A_1+A_2$) from Monte Carlo simulations of the Ising model in two dimensions. The simulation results are understood via appropriate application of the…

Statistical Mechanics · Physics 2013-05-14 Suman Majumder , Subir K. Das

Smectic liquid crystal films a few molecular layers thick that are freely suspended in air are used as a model system to study the coalescence of fluids in two dimensions. High-speed video microscopy is used to observe the coalescence of…

Soft Condensed Matter · Physics 2021-08-18 Z. H. Nguyen , K. Harth , A. M. Goldfain , C. S. Park , J. E. Maclennan , M. A. Glaser , N. A. Clark

Lead island films were obtained via vacuum vapor deposition on glass and ceramic substrates at 80 K. Electrical conductance was measured during vapor condensation and further annealing of the film up to room temperature. The resistance…

Materials Science · Physics 2009-09-29 V. E. Bochenkov , P. Karageorgiev , L. Brehmer , G. B. Sergeev

We consider the shape evolution of two-dimensional islands on a crystal surface in the regime where mass transport is exclusively along the island edge. A directed mass current due to surface electromigration causes the island to migrate in…

Materials Science · Physics 2007-05-23 Philipp Kuhn , Joachim Krug

Controlling the uniaxial magnetic anisotropy is of practical interest to a wide variety of applications. We study Co$_{40}$Fe$_{40}$B$_{20}$ single films grown on various crystalline orientations of LiNbO$_3$ substrates and on oxidized…

Materials Science · Physics 2023-06-06 R. L. Seeger , F. Millo , A. Mouhoub , G. de Loubens , A. Solignac , T. Devolder

We present the results of Monte Carlo simulation for a Kondo lattice model in which itinerant electrons interact with Ising spins with spin-ice type easy-axis anisotropy on a pyrochlore lattice. We demonstrate the efficiency of the…

Strongly Correlated Electrons · Physics 2012-12-19 Hiroaki Ishizuka , Masafumi Udagawa , Yukitoshi Motome

Detailed KMC-MD (kinetic Monte Carlo-molecular dynamics) simulations of hyperthermal energy (10-100 eV) copper homoepitaxy have revealed a re-entrant layer-by-layer growth mode at low temperatures (50K) and reasonable fluxes (1 ML/s). This…

Materials Science · Physics 2007-05-23 J. M. Pomeroy , J. Jacobsen , C. C. Hill , B. H. Cooper , J. P. Sethna

Metallic films are important in catalysis, magneto-optic storage media, and interconnects in microelectronics, and it is crucial to predict and control their morphologies. The evolution of a growing crystal is determined by the behavior of…

Materials Science · Physics 2016-11-03 C. Ratsch , P. Ruggerone , M. Scheffler

We study the dislocation formation in 2D nanoscopic islands with two methods, the Molecular Static method and the Phase Field Crystal method. It is found that both methods indicate the same qualitative stages of the nucleation process. The…

Materials Science · Physics 2008-12-04 J. Jalkanen , O. Trushin , K. Elder , E. Granato , S. C. Ying , T. Ala-Nissila

We present a zinc-blende lattice gas model of II-VI(001) surfaces, which is investigated by means of Kinetic Monte Carlo (KMC) simulations. Anisotropic effective interactions between surface metal atoms allow for the description of, e.g.,…

Materials Science · Physics 2009-11-10 T. Volkmann , M. Ahr , M. Biehl

The theoretical and experimental status of surfactant mediated semiconductor epitaxial growth is reviewed. We discuss homoepitaxy as well as heteroepitaxy, and emphasize in particular issues related to the mechanism by which surfactants…

Materials Science · Physics 2007-05-23 Daniel Kandel , Efthimios Kaxiras

Evolution of composition patterns in the annealed, single-crystal surface alloy film is considered in the presence of the spinodal decomposition, the compositional stress and the diffusion anisotropy. While the former two effects contribute…

Materials Science · Physics 2020-12-02 Mikhail Khenner , Victor Henner

Structural and kinetic aspects of 2-D irreversible metal deposition under potentiostatic conditions are analyzed by means of dynamic Monte Carlo simulations employing embedded atom potentials for a model system. Three limiting models, all…

Materials Science · Physics 2007-05-23 M. Cecilia Gimenez , Mario G. Del Popolo , Ezequiel P. M. Leiva

We present here a summary of some recent techniques used for atomistic studies of thin film growth and morphological evolution. Specific attention is given to a new kinetic Monte Carlo technique in which the usage of unique labeling schemes…

Materials Science · Physics 2009-11-11 Talat S. Rahman , Chandana Ghosh , Oleg Trushin , Abdelkader Kara , Altaf Karim

The thermodynamics of the Stranski-Krastanov mode of epitaxial growth and the effect of the sign of the lattice misfit are discussed. The Stranski-Krastanov mode of growth represents a sequence of layer-by-layer or Frank-van der Merwe…

Materials Science · Physics 2017-11-10 J. E. Prieto , I. Markov

The diffusion of two dimensional adatom islands (up to 100 atoms) on Cu(111) has been studied, using the self-learning Kinetic Monte Carlo (SLKMC) method [1]. A variety of multiple- and single-atom processes are revealed in the simulations,…

Materials Science · Physics 2015-05-30 Altaf Karim , Abdelkader Kara , Oleg Trushin , Talat S. Rahman

In this article kinetic Monte Carlo simulations for molecular beam epitaxy (MBE) and pulsed laser depositon (PLD) are compared. It will be shown that an optimal pattern conservation during MBE is achieved for a specific ratio of diffusion…

Statistical Mechanics · Physics 2007-05-23 F. Westerhoff , L. Brendel , D. E. Wolf

The paper presents results from kinetic Monte Carlo simulations of kinetic surface roughening using an important and experimentally relevant model of epitaxial growth -- the solid-on-solid model with Arrhenius dynamics. A restriction on…

Materials Science · Physics 2014-08-15 Petar P. Petrov , Daniela Gogova

We present a modified simulated annealing method with a dynamical choice of the cooling temperature. The latter is determined via a closed-loop control and is proven to yield exponential decay of the entropy of the particle system. The…

Optimization and Control · Mathematics 2026-02-18 Michael Herty , Mattia Zanella