Распределение валентной электронной плотности в системе цирконий-водород c вакансией
| Parent link: | Перспективы развития фундаментальных наук.— 2015.— [С. 287-289] |
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| Summary: | Заглавие с экрана The first-principle calculations of valence electron distribution in the zirconium-hydrogen system with vacancy have been carried out. The formation of the hydrogen-vacancy subsystems in the Zr-H leads to strongly anisotropic redistribution of the metal charge density. It is shown that the location of hydrogen in the interstitial near the vacancy is characterized by strong chemical binding of hydrogen with zirconium. |
| Language: | Russian |
| Published: |
2015
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| Series: | Физика |
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| Online Access: | http://earchive.tpu.ru/handle/11683/19165 http://www.lib.tpu.ru/fulltext/c/2015/C21/085.pdf |
| Format: | Electronic Book Chapter |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=612990 |
| Physical Description: | 1 файл(409 Кб) |
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| Summary: | Заглавие с экрана The first-principle calculations of valence electron distribution in the zirconium-hydrogen system with vacancy have been carried out. The formation of the hydrogen-vacancy subsystems in the Zr-H leads to strongly anisotropic redistribution of the metal charge density. It is shown that the location of hydrogen in the interstitial near the vacancy is characterized by strong chemical binding of hydrogen with zirconium. |