摘要
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 γ-phase. Re is easier to segregate into the dislocation core region as compared with Ru; it especially prefers to substitute for Ni on the γ-（Ni）1 site.
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 γ-phase. Re is easier to segregate into the dislocation core region as compared with Ru; it especially prefers to substitute for Ni on the γ-（Ni）1 site.
基金
supported by the National Key Basic Research Program of China (Grant No 2006CB605102)
