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Research PapersNo Access

FIRST-PRINCIPLES STUDY OF THE MIGRATION OF HELIUM IN TUNGSTEN

School of Physics and Electronics Information, China West Normal University, Nanchong 637002, China

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School of Physics and Electronics Information, China West Normal University, Nanchong 637002, China

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Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu 610054, China

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https://doi.org/10.1142/S0217979209049334Cited by:11 (Source: Crossref)

Abstract

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.

Keywords:

PACS: 71.15.Mb, 71.20.Be, 61.72.Ji

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Vol. 23, No. 08

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Received 25 November 2007

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