Molecular Simulation of the Formation of Carbon Nanoparticles

The formation of carbon nanoparticles is studied by molecular-dynamics simulation using the AIREBO model. It is shown that, upon simulation of the system at a temperature of 6000 K, finite size effects appear. At a temperature of 2000 K, the system forms clusters with a fairly high degree of graphit...

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Bibliographic Details
Published inNanobiotechnology Reports (Online) Vol. 17; no. 4; pp. 462 - 466
Main Author Fomin, Yu. D.
Format Journal Article
LanguageEnglish
Published Moscow Pleiades Publishing 01.08.2022
Springer Nature B.V
Subjects
Carbon
Chemistry and Materials Science
Graphitization
Industrial and Production Engineering
Machines
Manufacturing
Materials Science
Molecular dynamics
Nanoparticles
Nanotechnology
Processes
Self-Organizing Structures and Nanoassemblies
Simulation
Size effects
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Summary:The formation of carbon nanoparticles is studied by molecular-dynamics simulation using the AIREBO model. It is shown that, upon simulation of the system at a temperature of 6000 K, finite size effects appear. At a temperature of 2000 K, the system forms clusters with a fairly high degree of graphitization.
ISSN:2635-1676
1995-0780
2635-1684
1995-0799
DOI:10.1134/S2635167622040097