Hydrogen induced vacancy formation in tungsten

Atomic scale modelling methods have been used to study the change in vacancy population when H is introduced into the W bulk matrix. Vacancy defects are predicted to dominate in pure W, and the vacancy concentration is expected to be very small. A mechanism whereby H solutes facilitate vacancy forma...

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Bibliographic Details
Published in:Journal of nuclear materials 2014-05, Vol.448 (1-3), p.270-275
Main Authors: Middleburgh, S.C., Voskoboinikov, R.E., Guenette, M.C., Riley, D.P.
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:Atomic scale modelling methods have been used to study the change in vacancy population when H is introduced into the W bulk matrix. Vacancy defects are predicted to dominate in pure W, and the vacancy concentration is expected to be very small. A mechanism whereby H solutes facilitate vacancy formation has been outlined and a single H interstitial is predicted to reduce the vacancy formation energy from 2.95eV to 2.23eV. Clustering of H interstitials in W is predicted to be unfavourable without a W vacancy. H has also been shown to affect the vacancy binding characteristics in W, changing the behaviour from a repelling interaction in pure W, retarding the formation of small vacancy clusters, to an attractive interaction when vacancy-H clusters are considered. The changes in defect behaviour predicted, will have observable implications to operational properties and the application of W in fusion reactor components.
ISSN:0022-3115
1873-4820
DOI:10.1016/j.jnucmat.2014.02.014