中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
The effect of Nb additive on Te-induced stress corrosion cracking in Ni alloy: a first-principles calculation

文献类型:期刊论文

作者Liu, WG ; Han, H ; Ren, CL ; Yin, HQ ; Huai, P ; Zou, Y ; Xu, HJ
刊名NUCLEAR SCIENCE AND TECHNIQUES
出版日期2014
卷号25期号:5
关键词GRAIN-BOUNDARY EMBRITTLEMENT SEGREGATION PHOSPHORUS BORON
ISSN号1001-8042
通讯作者xuhongjie@sinap.ac.cn
英文摘要Nb can improve the resistance of Ni-based Hastelloy N alloy to Te-induced intergranular embrittlement. First-principles calculations are performed to research this mechanism by simulating the Ni(111) surface and the Sigma 5(012) grain boundary. The calculated adsorption energy suggests that Te atoms prefer diffusing along the grain boundary to forming the surface-reaction layer with Nb on surface of the Ni alloy. First-principles tensile tests show that the Nb segregation can enhance the cohesion of grain boundary. The strong Nb-Ni bonding can prevent the Te migration into the inside of the alloy. According to the Rice-Wang model, the strengthening/embrittling energies of Nb and Te are calculated, along with their mechanical and chemical components. The chemical bonds and electronic structures are analyzed to uncover the physical origin of the different effects of Te and Nb. Our work sheds lights on the effect of Nb additive on the Te-induced intergranular embrittlement in Hastelloy N alloy on the atomic and electronic level.
收录类别SCI
语种英语
WOS记录号WOS:000344447300016
公开日期2015-03-13
源URL[http://ir.sinap.ac.cn/handle/331007/14485]  
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
Liu, WG,Han, H,Ren, CL,et al. The effect of Nb additive on Te-induced stress corrosion cracking in Ni alloy: a first-principles calculation[J]. NUCLEAR SCIENCE AND TECHNIQUES,2014,25(5).
APA Liu, WG.,Han, H.,Ren, CL.,Yin, HQ.,Huai, P.,...&Xu, HJ.(2014).The effect of Nb additive on Te-induced stress corrosion cracking in Ni alloy: a first-principles calculation.NUCLEAR SCIENCE AND TECHNIQUES,25(5).
MLA Liu, WG,et al."The effect of Nb additive on Te-induced stress corrosion cracking in Ni alloy: a first-principles calculation".NUCLEAR SCIENCE AND TECHNIQUES 25.5(2014).

入库方式: OAI收割

来源:上海应用物理研究所

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