Algorithm for Realistic Modeling of Graphitic Systems
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 scalab...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Sumy State University
2011-01-01
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| Series: | Журнал нано- та електронної фізики |
| Subjects: | |
| Online Access: | http://jnep.sumdu.edu.ua/download/numbers/2011/2/articles/jnep_2011_V3_N2_36-47.pdf |
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