| 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 | |
| Corresponding Author | Ping, P(ppeng@hnu.cn) |
| 2005-06-01 | |
| Source Publication | RARE METAL MATERIALS AND ENGINEERING
 |
| ISSN | 1002-185X |
| Volume | 34Issue:6Pages:854-858 |
| Abstract | 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. |
| Keyword | Ni-base single crystal superalloy gamma/gamma ' interface DV-X-alpha method electronic structure mechanical properties |
| Indexed By | SCI |
| Language | 英语 |
| WOS Research Area | Materials Science ; Metallurgy & Metallurgical Engineering |
| WOS Subject | Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering |
| WOS ID | WOS:000230154000004 |
| Publisher | NORTHWEST INST NONFERROUS METAL RESEARCH |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/83258 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Ping, P |
| Affiliation | 1.Hunan Univ, Coll Mat Sci & Engn, Changsha 410082, Peoples R China 2.Chinese Acad Sci, Met Res Inst, Shenyang 110016, Peoples R China |
| Recommended Citation 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. |
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