Sensitivity of positrons at hydrogen storage sites in FeCr alloy containing vacancy and helium atom
International Journal of Hydrogen Energy(2020)
摘要
Here, the storage sites of hydrogen in FeCr alloy, namely (H, He)–V nano-clusters with open volume, have been investigated by first-principles calculations and positron annihilation spectroscopy. The positron lifetimes in the nano-clusters obtained by theoretical calculations and experiments were compared. These results suggest that positron is sensitive to the relative position of the gas atoms decorating the open volume; and a helium atom forms a more repulsive ion core than a hydrogen atom when it occupies the vacancy, resulting in a decrease in positron lifetime. Interpretation of the PAS data was successfully combined with theoretical calculations, and allowed us to determine the defect status in specimens after H/He irradiation with different implantation patterns. The speculated kinds of hydrogen storage sites formed after irradiation are summarized. For the He-ions pre-implanted situation, the helium-vacancy clusters or bubbles forming in advance may recombine with H atoms to form stable He–H–V complex.
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关键词
Hydrogen storage,Irradiation,Defect,Positron annihilation spectroscopy,First-principles calculations
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