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Title: Molecular dynamics simulation of the melting of uranium dioxide nanocrystals
Authors: Boyarchenkov, A. S.
Potashnikov, S. I.
Nekrasov , K. A.
Kupryazhkin, A. Ya.
Issue Date: 2012
Citation: Molecular dynamics simulation of the melting of uranium dioxide nanocrystals / A. S. Boyarchenkov, S. I. Potashnikov, K. A. Nekrasov, A. Ya. Kupryazhkin // Russian Metallurgy (Metally). — 2012. — Vol. 2012. — № 8. — P. 676-684.
Abstract: The melting of vacuum-isolated uranium dioxide (UO2) nanocrystals is studied by molecular dynamics simulation using the approximation of pair potentials and point ions. The size dependences of the melting temperature, the heat of melting, and the density jump of cubic crystals up to 1000 nm3 in size are measured for the ten most relevant sets of pair potentials. The linear and parabolic extrapolations of these dependences to macroscopic sizes are considered, and the parabolic extrapolation is found to be better for analyzing data on the melting temperature and heat. © 2012 Pleiades Publishing, Ltd.
RSCI ID: 20486861
SCOPUS ID: 84870812804
WOS ID: WOS:000415312400004
PURE ID: 1065854
ISSN: 0036-0295
DOI: 10.1134/S0036029512080034
Appears in Collections:Научные публикации, проиндексированные в SCOPUS и WoS CC

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