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| 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 | |
| Source Publication | NUCLEAR SCIENCE AND TECHNIQUES
 |
| ISSN | 2210-3147 |
| Volume | 28Issue:6Pages:82 |
| Subtype | 期刊论文 |
| 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. |
| Keyword | 1st-principles Calculations |
| DOI | 10.1007/s41365-017-0235-6 |
| WOS Keyword | 1ST-PRINCIPLES CALCULATIONS |
| Indexed By | SCI |
| Language | 英语 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.sinap.ac.cn/handle/331007/28873 |
| Collection | 中科院上海应用物理研究所2011-2018年 |
| Recommended Citation 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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| Theoretical study of（1086KB） | 期刊论文 | 作者接受稿 | 开放获取 | CC BY-NC-SA | View Download | |
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