Hydrogen and vacancies in the tokamak plasma-facing material beryllium

Within the framework of the density functional electron theory in local-density approximation and the ab initio pseudopotential method the properties of vacancies and hydrogen atoms near vacancies in beryllium are calculated. The vacancy formation energy is 1.13 eV. The hydrogen atom is located off-...

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Bibliographic Details
Published in:Journal of nuclear materials 1998-05, Vol.255 (1), p.72-74
Main Authors: Krimmel, H., Fähnle, M.
Format: Article
Language:English
Subjects:
Applied sciences
Controled nuclear fusion plants
Energy
Energy. Thermal use of fuels
Exact sciences and technology
Installations for energy generation and conversion: thermal and electrical energy
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Summary:Within the framework of the density functional electron theory in local-density approximation and the ab initio pseudopotential method the properties of vacancies and hydrogen atoms near vacancies in beryllium are calculated. The vacancy formation energy is 1.13 eV. The hydrogen atom is located off-centre, i.e., on a hexahedral interstitial site near the vacancy.
ISSN:0022-3115
1873-4820
DOI:10.1016/S0022-3115(98)00025-7