First-principles study on the structures and properties of the gamma/gamma ' interface with Ir addition in Ni-base single crystal superalloys

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	First-principles study on the structures and properties of the gamma/gamma ' interface with Ir addition in Ni-base single crystal superalloys
	Ping, P ; Han, SC ; Zheng, CX ; Liu, RS ; Jin, T ; Hu, ZQ
刊名	RARE METAL MATERIALS AND ENGINEERING
	2005-06-01
卷号	34 期号:6 页码:854-858
关键词	Ni-base single crystal superalloy gamma/gamma ' interface DV-X-alpha method electronic structure mechanical properties
ISSN号	1002-185X
通讯作者	Ping, P(ppeng@hnu.cn)
英文摘要	By using the discrete variational X. (DV-X,) method, the electronic and bonding structures of gamma/gamma' interfaces with and without Ir addition in Ni-base single crystal superalloys were calculated in the framework of the first-principles theory. Several bonding parameters such as the bond overlap population (Q(AB)), the partial bonding strength of interlayer and the local environmental total bonding strength have been applied to characterize and analyze the structural stability and ductility of gamma/gamma' interfaces as well as the difficulty of fracture along gamma/gamma' interface. Result shows that Ir addition can improve bonding strengths of Ni-Ni and Ni-Al atom pairs in gamma/gamma' interfaces, and the bonding strength increase in the following order: Q(Ni-Ni) < Q(Ni-Al) < Q(Ir-Ni) < Q(Ir-Al). With a difference in sorts and sites of atoms substituted by It in gamma/gamma' interface, a distinct different influence of Ir addition on the structures and properties of gamma/gamma' interfaces can be seen. As comparing, it is found Ir replacing Ni in the gamma phase is most beneficial to improve structural stability and strength against rupture along gamma/gamma' interface.
WOS研究方向	Materials Science ; Metallurgy & Metallurgical Engineering
语种	英语
出版者	NORTHWEST INST NONFERROUS METAL RESEARCH
WOS记录号	WOS:000230154000004
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/83257]
专题	金属研究所_中国科学院金属研究所
通讯作者	Ping, P
作者单位	1.Chinese Acad Sci, Met Res Inst, Shenyang 110016, Peoples R China 2.Hunan Univ, Coll Mat Sci & Engn, Changsha 410082, Peoples R China
推荐引用方式 GB/T 7714	Ping, P,Han, SC,Zheng, CX,et al. First-principles study on the structures and properties of the gamma/gamma ' interface with Ir addition in Ni-base single crystal superalloys[J]. RARE METAL MATERIALS AND ENGINEERING,2005,34(6):854-858.
APA	Ping, P,Han, SC,Zheng, CX,Liu, RS,Jin, T,&Hu, ZQ.(2005).First-principles study on the structures and properties of the gamma/gamma ' interface with Ir addition in Ni-base single crystal superalloys.RARE METAL MATERIALS AND ENGINEERING,34(6),854-858.
MLA	Ping, P,et al."First-principles study on the structures and properties of the gamma/gamma ' interface with Ir addition in Ni-base single crystal superalloys".RARE METAL MATERIALS AND ENGINEERING 34.6(2005):854-858.