ATOMIC STRUCTURE OF CLUSTERS ZIRCONIUM ZrN MOLECULAR DYNAMICS SIMULATION
Various isomers of free clusters of zirconium ZrN (N=4÷15) were studied. The results were obtained using molecular dynamics simulation and many-body Clery and Rosato interaction potential. The average length and the binding energy, the coordination number and the frequency of occurrence of various i...
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| Format: | Article |
| Language: | Russian |
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Tver State University
2014-11-01
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| Series: | Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов |
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| Online Access: | http://physchemaspects.ru/archives/2014/%D0%A4%D0%A5-2014.%20%D0%9F%D0%B0%D0%BD%D1%8C%D0%BA%D0%B8%D0%BD%20%D0%9D%D0%90.pdf |
| Summary: | Various isomers of free clusters of zirconium ZrN (N=4÷15) were studied. The results were obtained using molecular dynamics simulation and many-body Clery and Rosato interaction potential. The average length and the binding energy, the coordination number and the frequency of occurrence of various isomers were calculated. |
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| ISSN: | 2226-4442 2658-4360 |