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

doi:10.1007/s41365-017-0235-6

CAS OpenIR > 中科院上海应用物理研究所2011-2018年

	Theoretical study of the interaction between hydrogen and 4d alloying atom in nickel
	Liu, WG; Qian, Y; Zhang, DX; Han, XB; Chu, XX; Zeng, YS; Bao, GL; Wang, GH; Wu, SW; Liu, W
	2017
发表期刊	NUCLEAR SCIENCE AND TECHNIQUES
ISSN	2210-3147
卷号	28 期号:6 页码:82
文章类型	期刊论文
摘要	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.
关键词	1st-principles Calculations
DOI	10.1007/s41365-017-0235-6
关键词[WOS]	1ST-PRINCIPLES CALCULATIONS
收录类别	SCI
语种	英语
引用统计
文献类型	期刊论文
条目标识符	http://ir.sinap.ac.cn/handle/331007/28873
专题	中科院上海应用物理研究所2011-2018年
推荐引用方式 GB/T 7714	Liu, WG,Qian, Y,Zhang, DX,et al. Theoretical study of the interaction between hydrogen and 4d alloying atom in nickel[J]. NUCLEAR SCIENCE AND TECHNIQUES,2017,28(6):82.
APA	Liu, WG.,Qian, Y.,Zhang, DX.,Han, XB.,Chu, XX.,...&Liu, W.(2017).Theoretical study of the interaction between hydrogen and 4d alloying atom in nickel.NUCLEAR SCIENCE AND TECHNIQUES,28(6),82.
MLA	Liu, WG,et al."Theoretical study of the interaction between hydrogen and 4d alloying atom in nickel".NUCLEAR SCIENCE AND TECHNIQUES 28.6(2017):82.

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