First-principles prediction of interstitial carbon, nitrogen, and oxygen effects on the helium behavior in nickel
Zhang, X; Ren, CL; Han, H; Wang, CB; Huang, HF; Yin, YR; Zhang, W; Lumpkin, G; Huai, P; Zhu, ZY
2017
发表期刊JOURNAL OF APPLIED PHYSICS
ISSN0021-8979
卷号122期号:6页码:-
文章类型期刊论文
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.
关键词Ni-alloys Structural-materials Ion irradiatIon Solute Elements Diffusion Hydrogen Tungsten Energy Fe He
DOI10.1063/1.4998405
关键词[WOS]NI-ALLOYS ; STRUCTURAL-MATERIALS ; ION IRRADIATION ; SOLUTE ELEMENTS ; DIFFUSION ; HYDROGEN ; TUNGSTEN ; ENERGY ; FE ; HE
收录类别SCI
语种英语
WOS记录号WOS:000407742400042
引用统计
文献类型期刊论文
条目标识符http://ir.sinap.ac.cn/handle/331007/28657
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
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):-.
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