Механизмы диффузии водорода в альфа-фазе циркония: расчеты из первых принципов
| Parent link: | Перспективы развития фундаментальных наук.— 2014.— [С. 256-258] |
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| Andre forfattere: | , |
| Summary: | Заглавие с экрана The results of first-principle calculations of diffusion barriers for hydrogen atoms in the alpha-phase of zirconium have been presented. It has been obtained that the transition "tetrahedral -octahedral -tetrahedral interstitial sites" can be considered as main in the mechanism of hydrogen diffusion. It has been shown that lattice relaxation induced by hydrogen saturation influences weakly on the form and height of diffusion barriers. |
| Sprog: | russisk |
| Udgivet: |
2014
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| Serier: | Физика |
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| Online adgang: | http://www.lib.tpu.ru/fulltext/c/2014/C21/081.pdf |
| Format: | Electronisk Book Chapter |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=606883 |
| Fysisk beskrivelse: | 1 файл(438 Кб) |
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| Summary: | Заглавие с экрана The results of first-principle calculations of diffusion barriers for hydrogen atoms in the alpha-phase of zirconium have been presented. It has been obtained that the transition "tetrahedral -octahedral -tetrahedral interstitial sites" can be considered as main in the mechanism of hydrogen diffusion. It has been shown that lattice relaxation induced by hydrogen saturation influences weakly on the form and height of diffusion barriers. |