Substitutional impurities influence on hydrogen sorption properties of titanium and zirconium

Λεπτομέρειες βιβλιογραφικής εγγραφής
Parent link:Journal of Physics: Conference Series
Vol. 552 : International Congress on Energy Fluxes and Radiation Effects (EFRE-2014), 21–26 September 2014, Tomsk, Russia.— 2014.— [ 012041, 5 p.]
Συγγραφή απο Οργανισμό/Αρχή: Национальный исследовательский Томский политехнический университет (ТПУ)
Άλλοι συγγραφείς: Spiridonova T. I. Tatjyana Igorevna, Tuch E. V., Bakulin A. V., Kulkova S. E.
Περίληψη:Title screen
The influence of substitutional impurities on the hydrogen absorption energy in Ti and Zr 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 of metals is analyzed.
Режим доступа: по договору с организацией-держателем ресурса
Έκδοση: 2014
Θέματα:
Διαθέσιμο Online:http://iopscience.iop.org/1742-6596/552/1/012041
Μορφή: Ηλεκτρονική πηγή Κεφάλαιο βιβλίου
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=639178