Диффузионные барьеры для водорода в альфа-фазе титана: расчеты из первых принципов
| 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] |
|---|---|
| Autore principale: | |
| Ente Autore: | |
| Altri autori: | |
| Riassunto: | 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). |
| Lingua: | russo |
| Pubblicazione: |
2018
|
| Soggetti: | |
| Accesso online: | http://earchive.tpu.ru/handle/11683/50691 |
| Natura: | Elettronico Capitolo di libro |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=627476 |
MARC
| LEADER | 00000naa2a2200000 4500 | ||
|---|---|---|---|
| 001 | 627476 | ||
| 005 | 20231101133449.0 | ||
| 035 | |a (RuTPU)RU\TPU\conf\27337 | ||
| 035 | |a RU\TPU\conf\27330 | ||
| 090 | |a 627476 | ||
| 100 | |a 20180907d2018 k y0rusy50 ca | ||
| 101 | 0 | |a rus |d eng | |
| 102 | |a RU | ||
| 105 | |a y z 100zy | ||
| 135 | |a drcn ---uucaa | ||
| 181 | 0 | |a i | |
| 182 | 0 | |a b | |
| 200 | 1 | |a Диффузионные барьеры для водорода в альфа-фазе титана: расчеты из первых принципов |d Diffusion barriers for hydrogen in alpha-phase of titanium: first-principles calculations |f Ши Юй |g науч. рук. Л. А. Святкин | |
| 203 | |a Текст |c электронный | ||
| 230 | |a 1 компьютерный файл (pdf; 454 Kb) | ||
| 300 | |a Заглавие с экрана | ||
| 320 | |a [Библиогр.: с. 366 (4 назв.)] | ||
| 330 | |a 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). | ||
| 461 | 1 | |0 (RuTPU)RU\TPU\conf\26928 |t Перспективы развития фундаментальных наук |l Prospects of Fundamental Sciences Development |o сборник научных трудов XV Международной конференции студентов, аспирантов и молодых ученых, г. Томск, 24-27 апреля 2018 г. |o в 7 т. |f Национальный исследовательский Томский политехнический университет (ТПУ) ; под ред. И. А. Курзиной, Г. А. Вороновой |d 2018 | |
| 463 | 1 | |0 (RuTPU)RU\TPU\conf\26929 |t Т. 1 : Физика |v [С. 364-366] |d 2018 | |
| 510 | 1 | |a Diffusion barriers for hydrogen in alpha-phase of titanium: first-principles calculations |z eng | |
| 610 | 1 | |a электронный ресурс | |
| 610 | 1 | |a труды учёных ТПУ | |
| 610 | 1 | |a диффузионные барьеры | |
| 610 | 1 | |a водород | |
| 610 | 1 | |a титан | |
| 610 | 1 | |a конструкционные материалы | |
| 610 | 1 | |a коэффициент диффузии | |
| 700 | 0 | |a Ши Юй | |
| 702 | 1 | |a Святкин |b Л. А. |c физик |c ассистент Томского политехнического университета |f 1988- |g Леонид Александрович |2 stltpush |4 727 | |
| 712 | 0 | 2 | |a Национальный исследовательский Томский политехнический университет |b Инженерная школа ядерных технологий |b Отделение экспериментальной физики |h 7865 |2 stltpush |3 (RuTPU)RU\TPU\col\23549 |
| 801 | 2 | |a RU |b 63413507 |c 20181005 |g RCR | |
| 856 | 4 | |u http://earchive.tpu.ru/handle/11683/50691 | |
| 942 | |c BK | ||