Структурная стабильность комплекса водород-вакансия в α-титане: расчеты из первых принципов
| Parent link: | Перспективы развития фундаментальных наук=Prospects of Fundamental Sciences Development: сборник научных трудов XIV Международной конференции студентов, аспирантов и молодых ученых, г. Томск, 25-28 апреля 2017 г./ Национальный исследовательский Томский политехнический университет (ТПУ) ; под ред. И. А. Курзиной, Г. А. Вороновой.— , 2017 Т. 1 : Физика.— 2017.— [С. 378-380] |
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| Summary: | Заглавие с экрана The results of ab initio calculations of structural stability of hydrogen-vacancy complexes in α- titanium are presented. It was shown that the presence of a vacancy in α-titanium lattice decreases the dissolution energy of hydrogen in metal. The presence of hydrogen in α-titanium decreases the formation energy of vacancy. The formation of hydrogen-vacancy complexes in α-titanium leads to significant distortion of the metal lattice. |
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2017
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| Online Access: | http://earchive.tpu.ru/handle/11683/41487 |
| Format: | Electronic Book Chapter |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=622712 |
| Summary: | Заглавие с экрана The results of ab initio calculations of structural stability of hydrogen-vacancy complexes in α- titanium are presented. It was shown that the presence of a vacancy in α-titanium lattice decreases the dissolution energy of hydrogen in metal. The presence of hydrogen in α-titanium decreases the formation energy of vacancy. The formation of hydrogen-vacancy complexes in α-titanium leads to significant distortion of the metal lattice. |
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