scholarly journals Enhancement of island size by dynamic substrate disorder in simulations of graphene growth

2016 ◽  
Vol 18 (22) ◽  
pp. 15102-15109 ◽  
Author(s):  
Gwilym Enstone ◽  
Peter Brommer ◽  
David Quigley ◽  
Gavin R. Bell
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Copper Foil ◽  
Island Growth ◽  
Island Size ◽  
Graphene Growth ◽  
Early Stages

We demonstrate a new mechanism in the early stages of sub-monolayer epitaxial island growth, using Monte Carlo simulations motivated by experimental observations on the growth of graphene on copper foil.

Nucleation and Growth Model for Metal-On-Fcc(100) Metal Deposition

1993 ◽  
Vol 312 ◽  
Author(s):  
M. C. Bartelt ◽  
J. W. Evans
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Growth Model ◽  
Ring Structure ◽  
Nucleation And Growth ◽  
Metal Deposition ◽  
Intensity Profile ◽  
Diffraction Intensity ◽  
Island Size

AbstractWe present results of Monte Carlo simulations of irreversible diffusion-mediated nucleation and growth of square islands during deposition. This model mimics metal-on-fcc(100) metal epitaxy at lower temperatures. Our analysis focuses on the scaling of the island size and separation distributions, and their evolution with coverage. The depletion in the density of nearby island pairs is shown to produce a “Henzler ring” structure in the diffraction intensity profile.

Kinetic Monte Carlo simulations of Pd deposition and island growth on MgO(100)

2007 ◽  
Vol 601 (14) ◽  
pp. 3133-3142 ◽  
Author(s):  
Lijun Xu ◽  
Charles T. Campbell ◽  
Hannes Jónsson ◽  
Graeme Henkelman
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Kinetic Monte Carlo ◽  
Island Growth ◽  
Kinetic Monte Carlo Simulations

Scaling and Coarsening in Epitaxial Growth

1998 ◽  
Vol 528 ◽  
Author(s):  
Fereydoon Family ◽  
Jacques G. Amar
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Deposition Rate ◽  
Kinetic Monte Carlo ◽  
Realistic Model ◽  
Island Size ◽  
Island Nucleation ◽  
Homoepitaxial Growth ◽  
Coarsening Behavior ◽  
Kinetic Monte Carlo Simulations

AbstractThe results of recent theoretical and simulational studies of submonolayer and multilayer homoepitaxial growth are discussed. In the submonolayer regime, the results of kinetic Monte Carlo simulations are presented and shown to provide a quantitative explanation for the variation of the submonolayer island density, critical island size, island-size distribution and morphology as a function of temperature and deposition rate found in recent experiments. In multilayer growth, a realistic model for homoepitaxial growth on fcc and bcc lattices which takes into account the correct crystal structure is reviewed. The effects of instabilities which lead to mound formation and coarsening are discussed and a unified picture of the effects of attractive and repulsive interactions at ascending and descending steps on surface morphology and island nucleation is presented. An accurate prediction of the observed mound angle for Fe/Fe(100) deposition is obtained analytically and by kinetic Monte Carlo simulations. The general dependence of the mound angle, and mound coarsening behavior on temperature, deposition rate, and strength of the step barrier in bcc(100) and fcc(100) growth is also presented and compared with recent experiments.

scholarly journals Early stages of phase selection in MOF formation observed in molecular Monte Carlo simulations

RSC Advances ◽  
2019 ◽  
Vol 9 (25) ◽  
pp. 14382-14390
Author(s):  
Stephen A. Wells ◽  
Naomi F. Cessford ◽  
Nigel A. Seaton ◽  
Tina Düren
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Interaction Potentials ◽  
Phase Selection ◽  
Early Stages ◽  
Metal Ligand

Clusters produced in simulations of MOF assembly at metal : ligand ratios of (a) 5 : 1 and (b) 1 : 1 with identical interaction potentials.

A Monte-Carlo Study of B2 Ordering and Precipitation on a Bcc Lattice

1995 ◽  
Vol 398 ◽  
Author(s):  
M. Athènes ◽  
P. Bellon ◽  
G. Martin ◽  
F. Haider
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Binary Alloy ◽  
Monte Carlo Study ◽  
Atomic Mobility ◽  
Vacancy Mechanism ◽  
Exchange Frequency ◽  
Early Stages ◽  
Bcc Lattice ◽  
Good Agreement

ABSTRACTAtomistic Monte-Carlo simulations of precipitation and B2 ordering in a binary alloy on a BCC lattice via vacancy mechanism are presented. Evolution of simulated patterns is in good agreement with the experimentally observed morphologies. Moreover, it is observed that the very early stages of ordering are strongly dependent on atomic mobility parameters. Depending on the relative exchange frequency of vacancies with A and B atoms, two extreme regimes oiordering are identified, leading either to localized or delocalized ordering.

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