FIRST-PRINCIPLES STUDY OF THE MIGRATION OF HELIUM IN TUNGSTEN
2009 ◽
Vol 23
(08)
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pp. 2077-2082
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Keyword(s):
First-principles calculations based on density functional theory (DFT) within the generalized gradient approximation (GGA) have been carried out to study the migration of helium in tungsten. The results show that helium interstitial jump directly between two tetrahedral sites with very low migration energy. The migration manner of interstitial He is related to the configuration of the host metal. Furthermore, the dissociation energy of a substitutional helium atom from a vacancy has been calculated from first-principles.
2013 ◽
Vol 27
(12)
◽
pp. 1350046
2015 ◽
Vol 754-755
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pp. 766-769
2017 ◽
Vol 373
◽
pp. 46-49
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