Atomic structure of the Zr–He, Zr–vac, and Zr–vac–He systems: First-principles calculation
| Parent link: | Physics of the Solid State Vol. 59, iss. 1.— 2017.— [P. 9-15] |
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| Hovedforfatter: | |
| Institution som forfatter: | |
| Andre forfattere: | , |
| Summary: | 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 |
| Sprog: | engelsk |
| Udgivet: |
2017
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| Fag: | |
| Online adgang: | http://dx.doi.org/10.1134/S1063783417010218 |
| Format: | Electronisk Book Chapter |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=654103 |
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| 200 | 1 | |a Atomic structure of the Zr–He, Zr–vac, and Zr–vac–He systems: First-principles calculation |f O. V. Lopatina, Yu. M. Koroteev, I. P. Chernov | |
| 203 | |a Text |c electronic | ||
| 300 | |a Title screen | ||
| 320 | |a [References: p. 15 (33 tit.)] | ||
| 330 | |a 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. | ||
| 333 | |a Режим доступа: по договору с организацией-держателем ресурса | ||
| 461 | |t Physics of the Solid State | ||
| 463 | |t Vol. 59, iss. 1 |v [P. 9-15] |d 2017 | ||
| 610 | 1 | |a электронный ресурс | |
| 610 | 1 | |a труды учёных ТПУ | |
| 610 | 1 | |a атомное строение | |
| 610 | 1 | |a гелий | |
| 700 | 1 | |a Lopatina |b O. V. |c physicist |c assistant Professor of Tomsk Polytechnic University, candidate of physico-mathematical Sciences |f 1979- |g Oksana Valerievna |3 (RuTPU)RU\TPU\pers\34217 |9 17748 | |
| 701 | 1 | |a Koroteev |b Yu. M. |c physicist |c programming specialist at Tomsk Polytechnic University |f 1959- |g Yuri Mikhailovich |3 (RuTPU)RU\TPU\pers\30447 | |
| 701 | 1 | |a Chernov |b I. P. |c Doctor of Physical and Mathematical Sciences (DSc), Professor of the Department of General Physics of Tomsk Polytechnic University (TPU) |f 1935- |g Ivan Petrovich |3 (RuTPU)RU\TPU\pers\30202 |9 14596 | |
| 712 | 0 | 2 | |a Национальный исследовательский Томский политехнический университет (ТПУ) |b Физико-технический институт (ФТИ) |b Кафедра общей физики (ОФ) |3 (RuTPU)RU\TPU\col\18734 |
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| 856 | 4 | |u http://dx.doi.org/10.1134/S1063783417010218 | |
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