Atomic structure of the Zr–He, Zr–vac, and Zr–vac–He systems: First-principles calculation; Physics of the Solid State; Vol. 59, iss. 1

Dettagli Bibliografici
Parent link:Physics of the Solid State
Vol. 59, iss. 1.— 2017.— [P. 9-15]
Autore principale: Lopatina O. V. Oksana Valerievna
Ente Autore: Национальный исследовательский Томский политехнический университет (ТПУ) Физико-технический институт (ФТИ) Кафедра общей физики (ОФ)
Altri autori: Koroteev Yu. M. Yuri Mikhailovich, Chernov I. P. Ivan Petrovich
Riassunto:Title screen
The ab initio investigations have been performed for the atomic structure of the Zr–He, Zr–vac, and Zr–vac–He systems with concentrations of helium atoms and vacancies (vac) of ~6 at %. A heliuminduced instability of the zirconia lattice has been revealed in the Zr–He system, which disappears with the formation of vacancies. The most preferred positions of impurities in the metal lattice have been determined. The energy of helium dissolution and the excess volume introduced by helium have been calculated. It has been established that the presence of helium in the Zr lattice leads to a significant decrease in the energy of vacancy formation.
Режим доступа: по договору с организацией-держателем ресурса
Lingua:inglese
Pubblicazione: 2017
Soggetti:
Accesso online:http://dx.doi.org/10.1134/S1063783417010218
Natura: Elettronico Capitolo di libro
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=654103

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