Effect of alloying Re and Ru in the edge-dislocation core of the Ni/Ni3Al interface
Wang Cong(王聪)a)† and Wang Chong-Yu(王崇愚)a)b)
a Department of Physics, Tsinghua University, Beijing 100084, China; b The International Center for Materials Physics, Chinese Academy of Sciences, Shenyang 110016, China
Abstract Investigations of alloying Re and Ru in the [110](001) dislocation core of the Ni/Ni3Al interface were conducted within the framework of density functional theory. The energetic calculations show that both elements can stabilize the [110](001) dislocation core. In the dislocation core region, Re and Ru prefer to substitute for Ni on the site in the $\gamma$-phase. Re is easier to segregate into the dislocation core region as compared with Ru; it especially prefers to substitute for Ni on the $\gamma$-(Ni)1 site.
Received: 09 December 2008
Revised: 24 April 2009
Accepted manuscript online:
PACS:
68.35.Dv
(Composition, segregation; defects and impurities)
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