First Principle Calculations of Diffusion Barriers for Hydrogen in α-Zirconium

Bibliographic Details
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]
Main Author: Svyatkin L. A. Leonid Aleksandrovich
Corporate Author: Национальный исследовательский Томский политехнический университет (ТПУ) Физико-технический институт (ФТИ) Кафедра общей физики (ОФ)
Other Authors: Koroteev Yu. M. Yuri Mikhailovich, Chernov I. P. Ivan Petrovich
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
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