Possibilities of Monte Carlo simulation for examination of nanowhisker growth

2010 ◽  
Vol 82 (11) ◽  
pp. 2017-2025 ◽  
Author(s):  
Alla G. Nastovjak ◽  
Igor G. Neizvestny ◽  
Nataliya L. Shwartz
Keyword(s):  
Monte Carlo ◽  
Vapor Deposition ◽  
Molecular Beam ◽  
Whisker Growth ◽  
Kinetic Monte Carlo ◽  
Chemical Vapor ◽  
Growth Conditions ◽  
Vapor Liquid Solid ◽  
Whisker Morphology ◽  
Deposition Conditions

The kinetic Monte Carlo (MC) model of nanowhisker (NW) growth is suggested. Two variants of growth are possible in the model—molecular beam epitaxy (MBE) and chemical vapor deposition (CVD). The effect of deposition conditions and growth regimes on the whisker morphology was examined within the framework of the vapor–liquid–solid (VLS) mechanism. A range of model growth conditions corresponding to NW and nanotube formation was determined. The suggested MC model was used for analyses of the morphology of the catalyst–whisker interface and for examination of Si–Ge whisker growth.

An all-atom kinetic Monte Carlo model for chemical vapor deposition growth of graphene on Cu(1 1 1) substrate

2020 ◽  
Vol 32 (15) ◽  
pp. 155401 ◽  
Author(s):  
Shuai Chen ◽  
Junfeng Gao ◽  
Bharathi M Srinivasan ◽  
Gang Zhang ◽  
Viacheslav Sorkin ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Chemical Vapor Deposition ◽  
Vapor Deposition ◽  
Kinetic Monte Carlo ◽  
Monte Carlo Model ◽  
Chemical Vapor ◽  
Chemical Vapor Deposition Growth

scholarly journals A Kinetic Monte Carlo Study for Mono- and Bi-layer Growth of MoS2 during Chemical Vapor Deposition

2019 ◽  
Vol 35 (10) ◽  
pp. 1119-1127 ◽  
Author(s):  
Shuai CHEN ◽  
◽  
Junfeng GAO ◽  
Bharathi M. SRINIVASAN ◽  
Yong-Wei ZHANG
Keyword(s):  
Monte Carlo ◽  
Chemical Vapor Deposition ◽  
Vapor Deposition ◽  
Kinetic Monte Carlo ◽  
Chemical Vapor ◽  
Monte Carlo Study ◽  
Layer Growth

scholarly journals Monte Carlo and Kinetic Monte Carlo Models for Deposition Processes: A Review of Recent Works

2021 ◽  
Vol 9 ◽  
Author(s):  
Nikolaos Cheimarios ◽  
Deifilia To ◽  
George Kokkoris ◽  
George Memos ◽  
Andreas G. Boudouvis
Keyword(s):  
Monte Carlo ◽  
Vapor Deposition ◽  
Kinetic Monte Carlo ◽  
Spatial Scales ◽  
Chemical Vapor ◽  
Reaction Diffusion ◽  
Atomic Layer ◽  
Surface Phenomena ◽  
Deposition Processes ◽  
Physical And Chemical

Monte Carlo (MC) and kinetic Monte Carlo (kMC) models are widely used for studying the physicochemical surface phenomena encountered in most deposition processes. This spans from physical and chemical vapor deposition to atomic layer and electrochemical deposition. MC and kMC, in comparison to popular molecular methods, such as Molecular Mechanics/Dynamics, have the ability to address much larger time and spatial scales. They also offer a far more detailed approach of the surface processes than continuum-type models, such as the reaction-diffusion models. This work presents a review of the modern applications of MC/kMC models employed in deposition processes.

Effect of Growth Conditions and Catalyst Material on Nanowhisker Morphology: Monte Carlo Simulation

2009 ◽  
Vol 156-158 ◽  
pp. 235-240 ◽  
Author(s):  
A.G. Nastovjak ◽  
I.G. Neizvestny ◽  
Nataly Shwartz
Keyword(s):  
Contact Angle ◽  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Growth Conditions ◽  
Whisker Formation ◽  
Atomic Mechanism ◽  
Physicochemical System ◽  
Whisker Morphology ◽  
Uniform Diameter ◽  
Deposition Conditions

The process of nanowhisker formation on the substrates activated by catalyst drops was investigated by Monte Carlo simulation. Influence of deposition conditions on whisker morphology was considered. Straight whiskers with uniform diameter could be grown using catalyst possessing large contact angle with whisker material. It was demonstrated that variation of growth conditions in such physicochemical system may result in nanotube formation. Atomic mechanism of hollow whisker formation was suggested. The range of model growth conditions for nanowhisker and nanotube formation were identified.

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