Algorithm for Realistic Modeling of Graphitic Systems
Electronic Archive of Sumy State University
Переглянути архів Інформація| Поле | Співвідношення | |
| Title |
Algorithm for Realistic Modeling of Graphitic Systems
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| Creator |
Хоменко, Олексій Віталійович
Хоменко, Алексей Витальевич Khomenko, Oleksii Vitaliiovych Prodanov, N.V. |
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| Subject |
Molecular dynamics
Graphite Covalent bonds Dispersion interaction Parallel computing |
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| Description |
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 |
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| Publisher |
Сумський державний універстет
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| Date |
2013-02-25T09:55:46Z
2013-02-25T09:55:46Z 2011 |
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| Type |
Article
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| Identifier |
A.V. Khomenko, N.V. Prodanov, J.Nano- Electron. Phys. 3 No2, (2011)
http://essuir.sumdu.edu.ua/handle/123456789/30248 |
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| Language |
en
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