The First-principles Study on the Occupation Behavior and the Ductility Mechanism of Zr in NieNi_3Al System with Lattice Misfit

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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
其他题名	The First-principles Study on the Occupation Behavior and the Ductility Mechanism of Zr in NieNi_3Al System with Lattice Misfit
	Wu Yuxi 1; Zhang Wanglin 1; Guo Jia 1; Hou Jieshan 2; Li Xiuyan 2; Huang Renzhong 3; Ma Xiufang 1; Zhang Qianfeng 1
	2014
发表期刊	Journal of Materials Science & Technology
ISSN	1005-0302
卷号	30 期号:5 页码:517-522
摘要	The 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.
其他摘要	The 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.
关键词	Zirconium Lattice misfit Occupation behavior Ductility Embrittlement
收录类别	CSCD
语种	英语
CSCD记录号	CSCD:5148741
引用统计	被引频次：1[CSCD] [CSCD记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/151075
专题	中国科学院金属研究所
作者单位	1.安徽工业大学 2.中国科学院金属研究所 3.沈阳师范大学
推荐引用方式 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.