First Principle Calculations of Diffusion Barriers for Hydrogen in α-Zirconium
| Parent link: | Advanced Materials Research : Radiation and nuclear techniques in material science: Scientific Journal Vol. 1084 : Physical-Technical Problems of Nuclear Science, Energy Generation, and Power Industry (PTPAI -2014).— 2015.— [P. 133-137] |
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| Main Author: | |
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| Summary: | Title screen The results of ab initio calculations of diffusion barriers for a hydrogen atom in zirconium α phase have been presented. The potential barrier and length of the jumps have been obtained for all possible directions of hydrogen diffusion. Also the influence of local lattice distortion caused by the presence of impurity on the height and shape of the barriers has been studied in this work. Режим доступа: по договору с организацией-держателем ресурса |
| Language: | English |
| Published: |
2015
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| Series: | Plasma, Microwave, Ion, Electron and Isotope Technologies |
| Subjects: | |
| Online Access: | http://dx.doi.org/10.4028/www.scientific.net/AMR.1084.133 |
| Format: | Electronic Book Chapter |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=640262 |
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| 200 | 1 | |a First Principle Calculations of Diffusion Barriers for Hydrogen in α-Zirconium |f L. A. Svyatkin, Yu. M. Koroteev, I. P. Chernov | |
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| 225 | 1 | |a Plasma, Microwave, Ion, Electron and Isotope Technologies | |
| 300 | |a Title screen | ||
| 330 | |a The results of ab initio calculations of diffusion barriers for a hydrogen atom in zirconium α phase have been presented. The potential barrier and length of the jumps have been obtained for all possible directions of hydrogen diffusion. Also the influence of local lattice distortion caused by the presence of impurity on the height and shape of the barriers has been studied in this work. | ||
| 333 | |a Режим доступа: по договору с организацией-держателем ресурса | ||
| 461 | 1 | |0 (RuTPU)RU\TPU\network\4598 |t Advanced Materials Research : Radiation and nuclear techniques in material science |o Scientific Journal | |
| 463 | 1 | |0 (RuTPU)RU\TPU\network\4600 |t Vol. 1084 : Physical-Technical Problems of Nuclear Science, Energy Generation, and Power Industry (PTPAI -2014) |o The VIth International Conference, June 5-7, 2014, Tomsk, Russia |o [proceedings] |f National Research Tomsk Polytechnic University (TPU) |v [P. 133-137] |d 2015 | |
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