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• W2008992510 abstract "Lattice distortion induced by high concentration of H is believed to be precursor of H blistering in single crystalline W (SCW) during H isotope irradiation. However, the critical H concentration needed to trigger bond-breaking of metal atoms presents a challenge to measure. Using density functional theory, we have calculated the formation energy of a vacancy and a self-interstitial atom (SIA) in supersaturated defect-free SCW with various H concentrations. When the ratio of H:W exceeds 1:2, the formation of both vacancies and self-interstitials becomes exothermic, meaning that spontaneous formation of micro-voids which can accommodate molecular H2 will occur. Molecular H2 is not allowed to form, and it is not needed either at the very initial stage of H blistering in SCW. With supersaturated H, the free volume at the vacancy or SIA is greatly smeared out with severe lattice distortion and more H can be trapped than in the dilute H case." @default.
• W2008992510 created "2016-06-24" @default.
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• W2008992510 date "2012-02-01" @default.
• W2008992510 modified "2023-09-26" @default.
• W2008992510 title "Threshold concentration for H blistering in defect free W" @default.
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• W2008992510 doi "https://doi.org/10.1016/j.jnucmat.2011.09.019" @default.
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