Effects Of Alloying Re And Ru In The Edge-Dislocation Core Of The Ni/Ni3al Interface

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.