CAS OpenIR  > 中科院上海应用物理研究所2011-2019年
First-principles study of the effect of phosphorus on nickel grain boundary
Liu, WG; Ren, CL; Han, H; Tan, J; Zou, Y; Zhou, XT; Huai, P; Xu, HJ; hanhan@sinap.ac.cn; xuhongjie@sinap.ac.cn
2014
Source PublicationJOURNAL OF APPLIED PHYSICS
ISSN0021-8979
Volume115Issue:4
AbstractBased on first-principles quantum-mechanical calculations, the impurity-dopant effects of phosphorus on Sigma 5(012) symmetrical tilt grain boundary in nickel have been studied. The calculated binding energy suggests that phosphorus has a strong tendency to segregate to the grain boundary. Phosphorus forms strong and covalent-like bonding with nickel, which is beneficial to the grain boundary cohesion. However, a too high phosphorus content can result in a thin and fragile zone in the grain boundary, due to the repulsion between phosphorus atoms. As the concentration of phosphorus increases, the strength of the grain boundary increases first and then decreases. Obviously, there exists an optimum concentration for phosphorus segregation, which is consistent with observed segregation behaviors of phosphorus in the grain boundary of nickel. This work is very helpful to understand the comprehensive effects of phosphorus. (C) 2014 AIP Publishing LLC.
KeywordInduced Embrittlement Solute Segregation Point-defects Alloy 718 Superalloy Exchange Metals Boron
Indexed BySCI
Language英语
WOS IDWOS:000331210800053
Citation statistics
Cited Times:22[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/14145
Collection中科院上海应用物理研究所2011-2019年
Corresponding Authorhanhan@sinap.ac.cn; xuhongjie@sinap.ac.cn
Recommended Citation
GB/T 7714
Liu, WG,Ren, CL,Han, H,et al. First-principles study of the effect of phosphorus on nickel grain boundary[J]. JOURNAL OF APPLIED PHYSICS,2014,115(4).
APA Liu, WG.,Ren, CL.,Han, H.,Tan, J.,Zou, Y.,...&xuhongjie@sinap.ac.cn.(2014).First-principles study of the effect of phosphorus on nickel grain boundary.JOURNAL OF APPLIED PHYSICS,115(4).
MLA Liu, WG,et al."First-principles study of the effect of phosphorus on nickel grain boundary".JOURNAL OF APPLIED PHYSICS 115.4(2014).
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