Диффузионные барьеры для водорода в альфа-фазе титана: расчеты из первых принципов

Detaylı Bibliyografya
Parent link:Перспективы развития фундаментальных наук=Prospects of Fundamental Sciences Development: сборник научных трудов XV Международной конференции студентов, аспирантов и молодых ученых, г. Томск, 24-27 апреля 2018 г./ Национальный исследовательский Томский политехнический университет (ТПУ) ; под ред. И. А. Курзиной, Г. А. Вороновой.— , 2018
Т. 1 : Физика.— 2018.— [С. 364-366]
Yazar: Ши Юй
Müşterek Yazar: Национальный исследовательский Томский политехнический университет Инженерная школа ядерных технологий Отделение экспериментальной физики
Diğer Yazarlar: Святкин Л. А. Леонид Александрович (727)
Özet:Заглавие с экрана
The results of the first-principle calculations of diffusion barriers for hydrogen atoms in the [alpha]-phase of titanium are presented. It was found that the minimal diffusion barrier corresponds to the transition from one tetrahedral interstitial to another, which takes place along the hexagonal axis (the value of this barrier is ~ 0,19 eV). However, this transition does not allow the hydrogen atom to move through the entire crystal volume; therefore, the diffusion jumps between tetrahedral and octahedral, and also between octahedral interstitial sites make a significant contribution tothe diffusion process of hydrogen in The results of the first-principle calculations of diffusion barriers for hydrogen atoms in the [alpha]-phase of titanium are presented. It was found that the minimal diffusion barrier corresponds to the transition from one tetrahedral interstitial to another, which takes place along the hexagonal axis (the value of this barrier is ~ 0,19 eV).
Dil:Rusça
Baskı/Yayın Bilgisi: 2018
Konular:
Online Erişim:http://earchive.tpu.ru/handle/11683/50691
Materyal Türü: Elektronik Kitap Bölümü
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=627476

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