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We performed classical molecular dynamics simulations to investigate, from an atomistic point of view, the formation of dislocations during the epitaxial growth of Ge on Si. We show that simulations at 900 and 1000 K with deposition rates…

Materials Science · Physics 2025-09-19 Luis Martín-Encinar , Luis A. Marqués , Iván Santos , Lourdes Pelaz

The effects of cluster diffusion on the submonolayer island density and island-size distribution are studied for the case of irreversible growth of compact islands on a 2D substrate. In our model, we assume instantaneous coalescence of…

Materials Science · Physics 2015-05-27 Yevgen A. Kryukov , Jacques G. Amar

Surface catalytic processes produce, under certain conditions, small clusters of adsorbed atoms or groups, called {\em islands} which, after they have been formed, move as individual entities. Here we consider the catalytic reduction of NO…

Condensed Matter · Physics 2007-05-23 N. Kruse , C. Voss , V. Medvedev , C. Bodenstein , D. Hanon , J. P. Boon

The random deposition model must be enriched to reflect the variety of surface roughness due to some material characteristics of the film growing by vacuum deposition or sputtering. The essence of the computer simulation in this case is to…

Condensed Matter · Physics 2007-05-23 K. Malarz , A. Z. Maksymowicz

We have studied the approach to equilibrium of islands and pores in two dimensions. The two-regime scenario observed when islands evolve according to a set of particular rules, namely relaxation by steps at low temperature and smooth at…

Materials Science · Physics 2009-11-10 Jose L. Iguain , Laurent J. Lewis

Accounting for the anharmonicity of the real interatomic potentials in a model in 1+1 dimensions shows that coherent 3D islands can be formed on the wetting layer in a Stranski-Krastanov growth mode predominantly in compressed overlayers.…

Materials Science · Physics 2007-05-23 Ivan Markov , Jose Emilio Prieto

Among superconductor/semiconductor hybrid structures, in-situ aluminum (Al) grown on InGaAs/InAs is widely pursued for the experimental realization of Majorana Zero Mode quasiparticles. This is due to the high carrier mobility, low…

The formation of dislocation-free three-dimensional islands during the heteroepitaxial growth of lattice-mismatched materials has been observed experimentally for several material systems. The equilibrium shape of the islands is governed by…

Materials Science · Physics 2008-02-03 E. Pehlke , N. Moll , M. Scheffler

We present a Monte Carlo study of external surface anchoring in nematic cells with partially disordered solid substrates, as well as of intrinsic anchoring at free nematic interfaces. The simulations are based on the simple hexagonal…

Soft Condensed Matter · Physics 2009-11-07 N. V. Priezjev , G. Skacej , R. A. Pelcovits , S. Zumer

The metastable vapor-liquid coexistence of short-range attractive fluids hinders the formation of crystal nuclei, which in turn makes difficult the progress of the system towards its vapor-solid ground state. In this letter we show that…

Mesoscale and Nanoscale Physics · Physics 2011-05-16 Gerardo Odriozola , Felipe Jiménez-Ángeles , Pedro Orea

The growth rates and chemical ordering of ferroelectric alloys are studied with kinetic Monte Carlo (KMC) simulations using an electrostatic model with long-range Coulomb interactions, as a function of temperature, chemical composition, and…

Materials Science · Physics 2016-08-31 Malliga Suewattana , Henry Krakauer , Shiwei Zhang

Diffusion of small two dimensional Cu islands (containing up to 10 atoms) on Cu(111) has been studied using the newly developed self-learning Kinetic Monte Carlo SLKMC method. It is based on a database of diffusion processes and their…

The stability of interfaces and the mechanisms of thin film growth on semiconductors are issues of central importance in electronic devices. These issues can only be understood through detailed study of the relevant microscopic processes.…

mtrl-th · Physics 2016-09-07 Efthimios Kaxiras

A limited mobility nonequilibrium solid-on-solid dynamical model for kinetic surface growth is introduced as a simple description for the morphological evolution of a growing interface under random vapor deposition and surface diffusion…

Statistical Mechanics · Physics 2007-05-23 S. Das Sarma , P. Punyindu

The growth and characterization of epitaxial Co3O4(111) films grown by oxygen plasma-assisted molecular beam epitaxy on single crystalline a-Al2O3(0001) is reported. The Co3O4(111) grows single crystalline with the epitaxial relation…

Materials Science · Physics 2010-03-09 C. A. F. Vaz , V. E. Henrich , C. H. Ahn , E. I. Altman

We have investigated the effects of post growth low temperature annealing on the magnetic, electrical and structural properties of (Ga_0.94,Mn_0.06)(As_0.9,P_0.1) layers grown by molecular beam epitaxy. By controlling the annealing time we…

We study the thermodynamics and kinetics of folding for a small peptide. Our data rely on Monte Carlo simulations where the interactions among all atoms are taken into account. Monte Carlo kinetics is used to study folding of the peptide at…

Condensed Matter · Physics 2009-11-07 Ulrich H. E. Hansmann , Jose N. Onuchic

We propose a sharp interface model for simulating solid-state dewetting where the surface energy is (weakly) anisotropic. The morphology evolution of thin films is governed by surface diffusion and contact line migration. The mathematical…

Materials Science · Physics 2015-06-22 Yan Wang , Wei Jiang , Weizhu Bao , Dave J. Srolovitz

We investigate the equilibrium properties of strained heteroepitaxial systems, incorporating the formation and the growth of a wetting film, dislocation free island formation, and ripening. The derived phase diagram provides a detailed…

Statistical Mechanics · Physics 2009-10-30 Istvan Daruka , Albert-Laszlo Barabasi

We investigate the growth of a film of some element B on a substrate made of another substrance A in a model of molecular beam epitaxy. A vertical exchange mechanism allows the A-atoms to stay on the growing surface with a certain…

Statistical Mechanics · Physics 2009-11-10 Boris Bierwald , Michael von den Driesch , Zeno Farkas , Sang Bub Lee , Dietrich E. Wolf