Диффузионные барьеры для водорода в никеле: расчеты из первых принципов
| Parent link: | Перспективы развития фундаментальных наук=Prospects of Fundamental Sciences Development: сборник научных трудов XVI Международной конференции студентов, аспирантов и молодых ученых, г. Томск, 23-26 апреля 2019 г./ Национальный исследовательский Томский политехнический университет (ТПУ) ; под ред. И. А. Курзиной, Г. А. Вороновой.— , 2019 Т. 1 : Физика.— 2019.— [С. 334-336] |
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| Summary: | Заглавие с экрана The results of first-principle calculations of volume changes of nickel-hydrogen system at different concentrations of hydrogen in nickel have been presented. The first-principle calculations of diffusion barriers for hydrogen in nickel at low hydrogen concentration (~ 6 at.%) have been carried out. With the result of the calculation, it is concluded that hydrogen diffusion at its low concentrations in nickel will pass from the octahedral interstitial site into nearest octahedral interstitial site through the tetrahedral interstitial site. |
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2019
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| Online Access: | http://earchive.tpu.ru/handle/11683/55861 |
| Format: | Electronic Book Chapter |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=629712 |