Theoretical study of the interaction between hydrogen and 4d alloying atom in nickel

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 nickelbased alloy. The interaction energies between 4d elements and H are calculated. A...

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Published inNuclear science and techniques Vol. 28; no. 6; pp. 150 - 153
Main Authors Liu, Wen-Guan, Qian, Yuan, Zhang, Dong-Xun, Han, Xing-Bo, Chu, Xin-Xin, Zeng, You-Shi, Bao, Guang-Liang, Wang, Guang-Hua, Wu, Sheng-Wei, Liu, Wei
Format Journal Article
LanguageEnglish
Published Singapore Springer Singapore 01.06.2017
Shanghai Institute of Applied Physics, Chinese Academy of Sciences, Shanghai 201800, China
Subjects
calculation
Energy
Hadrons
Heavy Ions
Hydrogen;Tritium;Transition
metal;Nickel;First-principles
Nuclear Energy
Nuclear Physics
Tritium
Transition metal
Nickel
First-principles calculation
Hydrogen
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Summary: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 nickelbased alloy. The interaction energies between 4d elements and H are calculated. Atomic size effects and electrondistribution effects are analyzed. The hydrogen–4d interactions are compared with the hydrogen–3d interactions calculated in our previous work.
Bibliography:31-1559/TL
ISSN:1001-8042
2210-3147
DOI:10.1007/s41365-017-0235-6