Феноменологическая модель возбуждения водородной подсистемы ионизирующим излучением

Λεπτομέρειες βιβλιογραφικής εγγραφής
Parent link:Radiation Physics and Chemistry of Inorganic Materials.— 2003.— Р. 523-527
Κύριος συγγραφέας: Чернов И. П. Иван Петрович
Άλλοι συγγραφείς: Тюрин Ю. И. Юрий Иванович, Коротеев Ю. М. Юрий Михайлович
Περίληψη:First-principle self-consistent density-functional band-structure calculations using a linearized augmented plane-vawe (LAPW) method for palladium and the stoichiometric PdH compound have been performed. It has been shown that the presence of hydrogen atoms in an interstitial region of a palladium crystal results in the significant change of the host crystal electronic structure which consists in an appearance of the S0H-dPd bonding and antibonding states. We have put forward a hypothesis that in the case of an irradiation the electronic transitions between these states can lead to weaking of the SH-dPd bonds and an enhancement of the hydrogen atoms mobility.
Γλώσσα:Ρωσικά
Έκδοση: 2003
Θέματα:
Μορφή: Κεφάλαιο βιβλίου
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=228045
Περιγραφή
Περίληψη:First-principle self-consistent density-functional band-structure calculations using a linearized augmented plane-vawe (LAPW) method for palladium and the stoichiometric PdH compound have been performed. It has been shown that the presence of hydrogen atoms in an interstitial region of a palladium crystal results in the significant change of the host crystal electronic structure which consists in an appearance of the S0H-dPd bonding and antibonding states. We have put forward a hypothesis that in the case of an irradiation the electronic transitions between these states can lead to weaking of the SH-dPd bonds and an enhancement of the hydrogen atoms mobility.