Computational study of the stable atomic trapping sites in Ar lattice
Stable atomic trapping sites in the Lennard-Jones face-centered cubic Ar crystals are investigated by means of the global optimization strategy and convex hull concept for thermodynamic stability. Five generic site types are found in full accord with crystallographic intuition: interstitial within...
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| Date: | 2019 |
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| Main Authors: | , , |
| Format: | Article |
| Language: | English |
| Published: |
Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України
2019
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| Series: | Физика низких температур |
| Subjects: | |
| Online Access: | http://dspace.nbuv.gov.ua/handle/123456789/175956 |
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| Journal Title: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Cite this: | Computational study of the stable atomic trapping sites in Ar lattice / G.K. Ozerov, D.S. Bezrukov, A.A. Buchachenko // Физика низких температур. — 2019. — Т. 45, № 3. — С. 347-355. — Бібліогр.: 44 назв. — англ. |