The effects of alloying elements on generalized stacking fault energies, strength and ductility of γ′-Ni3Al

Using first-principles calculations, we study the effects of the alloying elements Re, Ta, W, Ru and Ti on the generalized stacking fault energies, strength and ductility of γ′-Ni3Al. The element Re effectively increases three kinds of generalized stacking fault energies on the (1 1 1) plane inducing more strength and less ductility of Ni3Al than the other elements. Quantificational analyses of bonding strength between alloying elements and their neighbor atoms reveal the electronic mechanism underlying these effects.

► The alloying effects in γ′-Ni3Al are explored via first-principles calculations.
► Element Re increases generalized-stacking fault energies and strength most.
► Element Re decreases the ductility of γ′-Ni3Al most.
► Quantificational analyses of bonding strength between atoms are given.