Влияние примесей замещения на сорбцию водорода в титане
| Parent link: | Перспективы развития фундаментальных наук=Prospects of fundamental sciences development: сборник научных трудов XI Международной конференция студентов и молодых ученых, г. Томск, 22-25 апреля 2014 г./ Национальный исследовательский Томский политехнический университет (ТПУ) ; под ред. Е. А. Вайтулевич. [С. 200-202].— , 2014 |
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| Andre forfattere: | , , |
| Summary: | Заглавие с экрана The influence of substitutional impurities on the hydrogen absorption energy in α-Ti is investigated by the projector augmented wave method within the density functional theory. Obtained results demonstrate that simple metal atoms are repulsive to H, whereas transition metal atoms attract H and provide traps for H. The relationship between the interaction energy, the lattice distortion and the electronic structure is analyzed. It is shown that the repulsive interaction between simple metal atoms and H is mainly due to Pauli principle but electronic factors can be responsible for the attractive interaction of H with transition metals. |
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2014
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| Serier: | Физика |
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| Online adgang: | http://www.lib.tpu.ru/fulltext/c/2014/C21/061.pdf |
| Format: | Electronisk Book Chapter |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=606823 |