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The First-principles Study on the Occupation Behavior and the Ductility Mechanism of Zr in NieNi_3Al System with Lattice Misfit
Alternative TitleThe First-principles Study on the Occupation Behavior and the Ductility Mechanism of Zr in NieNi_3Al System with Lattice Misfit
Wu Yuxi1; Zhang Wanglin1; Guo Jia1; Hou Jieshan2; Li Xiuyan2; Huang Renzhong3; Ma Xiufang1; Zhang Qianfeng1
2014
Source PublicationJournal of Materials Science & Technology
ISSN1005-0302
Volume30Issue:5Pages:517-522
AbstractThe influence of lattice misfit on the occupation behavior and the ductility effect of Zr in Ni-Ni_3Al alloys were explored. It is found in energy analysis that the preferable site of Zr between Ni sublattice and Al sublattice will change under different lattice misfit, however, the Zr prefers to segregate Ni phase rather than Ni_3Al phase in all lattice misfit range, which makes it impossible for Zr to go into Ni_3Al phase to occupy Al sublattice in Ni-Ni_3Al system. Bond order (BO) analysis shows that the localized ductility effect of Zr differs in different region, and the comparison between Zr-free and Zr-doped BO analysis successfully explain the mechanism of the embrittlement of Ni-Ni_3Al alloys and the ductility effect of Zr.
Other AbstractThe influence of lattice misfit on the occupation behavior and the ductility effect of Zr in Ni-Ni_3Al alloys were explored. It is found in energy analysis that the preferable site of Zr between Ni sublattice and Al sublattice will change under different lattice misfit, however, the Zr prefers to segregate Ni phase rather than Ni_3Al phase in all lattice misfit range, which makes it impossible for Zr to go into Ni_3Al phase to occupy Al sublattice in Ni-Ni_3Al system. Bond order (BO) analysis shows that the localized ductility effect of Zr differs in different region, and the comparison between Zr-free and Zr-doped BO analysis successfully explain the mechanism of the embrittlement of Ni-Ni_3Al alloys and the ductility effect of Zr.
KeywordZirconium Lattice misfit Occupation behavior Ductility Embrittlement
Indexed ByCSCD
Language英语
CSCD IDCSCD:5148741
Citation statistics
Cited Times:1[CSCD]   [CSCD Record]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/151075
Collection中国科学院金属研究所
Affiliation1.安徽工业大学
2.中国科学院金属研究所
3.沈阳师范大学
Recommended Citation
GB/T 7714
Wu Yuxi,Zhang Wanglin,Guo Jia,et al. The First-principles Study on the Occupation Behavior and the Ductility Mechanism of Zr in NieNi_3Al System with Lattice Misfit[J]. Journal of Materials Science & Technology,2014,30(5):517-522.
APA Wu Yuxi.,Zhang Wanglin.,Guo Jia.,Hou Jieshan.,Li Xiuyan.,...&Zhang Qianfeng.(2014).The First-principles Study on the Occupation Behavior and the Ductility Mechanism of Zr in NieNi_3Al System with Lattice Misfit.Journal of Materials Science & Technology,30(5),517-522.
MLA Wu Yuxi,et al."The First-principles Study on the Occupation Behavior and the Ductility Mechanism of Zr in NieNi_3Al System with Lattice Misfit".Journal of Materials Science & Technology 30.5(2014):517-522.
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