First-principles prediction of interstitial carbon, nitrogen, and oxygen effects on the helium behavior in nickel
文献类型：期刊论文
| 作者 | Zhang, X; Ren, CL; Han, H; Wang, CB; Huang, HF; Yin, YR; Zhang, W; Lumpkin, G; Huai, P; Zhu, ZY |
| 刊名 | JOURNAL OF APPLIED PHYSICS
 |
| 出版日期 | 2017 |
| 卷号 | 122期号:6页码:- |
| 关键词 | Ni-alloys Structural-materials Ion irradiatIon Solute Elements Diffusion Hydrogen Tungsten Energy Fe He |
| ISSN号 | 0021-8979 |
| DOI | 10.1063/1.4998405 |
| 文献子类 | 期刊论文 |
| 英文摘要 | The effects of interstitial carbon, nitrogen, and oxygen (C/N/O) on the helium behavior in nickel are studied by using first-principles calculations. The interstitial C/N/O changes the occupying priority of helium to the first nearest neighbor Oct-site, which is related to local strain effect and chemical bonding between helium and its adjacent atoms. Both binding energy calculation and diffusion property analysis confirm that the interstitial C/N/O can trap helium in nickel. Moreover, with lower binding energy and larger trapping radii to helium, the interstitial oxygen has significant effect on helium trapping compared with that of nitrogen and carbon. With more helium aggregating at vacancy, the C/N/O would also trap smaller helium clusters and repel larger ones, indicating that the interstitial C/N/O could disperse helium bubbles and further inhibit their growth in nickel. This work helps to understand the helium embrittlement resistant mechanisms of the initial nucleation sites for second phase nanoparticles in nickel-based alloys. Published by AIP Publishing. |
| WOS关键词 | NI-ALLOYS ; STRUCTURAL-MATERIALS ; ION IRRADIATION ; SOLUTE ELEMENTS ; DIFFUSION ; HYDROGEN ; TUNGSTEN ; ENERGY ; FE ; HE |
| 语种 | 英语 |
| WOS记录号 | WOS:000407742400042 |
| 源URL | [http://ir.sinap.ac.cn/handle/331007/28657]  |
| 专题 | 上海应用物理研究所_中科院上海应用物理研究所2011-2017年 |
| 推荐引用方式 GB/T 7714 | Zhang, X,Ren, CL,Han, H,et al. First-principles prediction of interstitial carbon, nitrogen, and oxygen effects on the helium behavior in nickel[J]. JOURNAL OF APPLIED PHYSICS,2017,122(6):-. |
| APA | Zhang, X.,Ren, CL.,Han, H.,Wang, CB.,Huang, HF.,...&Zhu, ZY.(2017).First-principles prediction of interstitial carbon, nitrogen, and oxygen effects on the helium behavior in nickel.JOURNAL OF APPLIED PHYSICS,122(6),-. |
| MLA | Zhang, X,et al."First-principles prediction of interstitial carbon, nitrogen, and oxygen effects on the helium behavior in nickel".JOURNAL OF APPLIED PHYSICS 122.6(2017):-. |
入库方式： OAI收割
来源：上海应用物理研究所
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