Abstract
In order to investigate the tritium behaviors in Hastelloy N alloy in molten salt reactor, first-principles calculations are used to study the interaction between hydrogen and 4d transition metal alloying atom in nickel-based alloy. The interaction energies between 4d elements and H are calculated. Atomic size effects and electron distribution effects are analyzed. The hydrogen–4d interactions are compared with the hydrogen–3d interactions calculated in our previous work.
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This work was supported by the “Strategic Priority Research Program” of the Chinese Academy of Sciences (No. XDA02020200), and the National Natural Science Foundation of China (No. 51601212).
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Liu, WG., Qian, Y., Zhang, DX. et al. Theoretical study of the interaction between hydrogen and 4d alloying atom in nickel. NUCL SCI TECH 28, 82 (2017). https://doi.org/10.1007/s41365-017-0235-6
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DOI: https://doi.org/10.1007/s41365-017-0235-6