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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
Source PublicationJOURNAL OF APPLIED PHYSICS
ISSN0021-8979
Volume122Issue:6Pages:-
Subtype期刊论文
AbstractThe 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.
KeywordNi-alloys Structural-materials Ion irradiatIon Solute Elements Diffusion Hydrogen Tungsten Energy Fe He
DOI10.1063/1.4998405
WOS KeywordNI-ALLOYS ; STRUCTURAL-MATERIALS ; ION IRRADIATION ; SOLUTE ELEMENTS ; DIFFUSION ; HYDROGEN ; TUNGSTEN ; ENERGY ; FE ; HE
Indexed BySCI
Language英语
WOS IDWOS:000407742400042
Citation statistics
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/28657
Collection中科院上海应用物理研究所2011-2018年
Recommended Citation
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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