Особенности взаимодействия водорода с вакансиями в альфа-цирконии и ниобии
| Parent link: | Перспективы развития фундаментальных наук=Prospects of Fundamental Sciences Development: сборник научных трудов XХII Международной конференции студентов, аспирантов и молодых ученых, г. Томск, 22-25 апреля 2025/ Национальный исследовательский Томский политехнический университет ; под ред. И. А. Курзиной [и др.].— .— Томск: Изд-во ТПУ Т. 1 : Физика.— 2025.— С. 116-118 |
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| Zusammenfassung: | Заглавие с экрана The results of a first-principles study of the position and binding energy of hydrogen atoms near vacancies in Zr/Nb metals using the density functional theory are presented. The hydrogen atoms occupy tetrahedral and octahedral interstitial sites near the vacancy in metal lattice. It was reveal that the tetrahedral sites for hydrogen near the vacancy in niobium are unstable. In a zirconium lattice near a vacancy, it is energetically more preferable for a hydrogen atom to occupy an interstitial site in the basal plane Текстовый файл |
| Sprache: | Russisch |
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2025
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| Online-Zugang: | http://earchive.tpu.ru/handle/11683/132823 |
| Format: | Elektronisch Buchkapitel |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=682385 |
| Zusammenfassung: | Заглавие с экрана The results of a first-principles study of the position and binding energy of hydrogen atoms near vacancies in Zr/Nb metals using the density functional theory are presented. The hydrogen atoms occupy tetrahedral and octahedral interstitial sites near the vacancy in metal lattice. It was reveal that the tetrahedral sites for hydrogen near the vacancy in niobium are unstable. In a zirconium lattice near a vacancy, it is energetically more preferable for a hydrogen atom to occupy an interstitial site in the basal plane Текстовый файл |
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