Please use this identifier to cite or link to this item: http://essuir.sumdu.edu.ua/handle/123456789/30248
Title: Algorithm for Realistic Modeling of Graphitic Systems
Authors: Khomenko, Oleksii Vitaliiovych 
Prodanov, N.V.
Keywords: Molecular dynamics
Graphite
Covalent bonds
Dispersion interaction
Parallel computing
Issue Year: 2011
Publisher: Сумський державний універстет
Citation: A.V. Khomenko, N.V. Prodanov, J.Nano- Electron. Phys. 3 No2, (2011)
Abstract: An algorithm for molecular dynamics simulations of graphitic systems using realistic semiempirical interaction potentials of carbon atoms taking into account both short-range and long-range contributions is proposed. Results of the use of the algorithm for a graphite sample are presented. The scalability of the algorithm depending on the system size and the number of processor cores involved in the calculations is analyzed. When you are citing the document, use the following link http://essuir.sumdu.edu.ua/handle/123456789/30248
URI: http://essuir.sumdu.edu.ua/handle/123456789/30248
Type: Article
Appears in Collections:Журнал нано- та електронної фізики (Journal of nano- and electronic physics)

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