Effect of Re content on elastic properties of B2 NiAl from ab initio calculations

► The effect of alloying of Re on elastic properties of B2 NiAl has been studied. ► Particularly in the concentration dependences in DOS and BSF peaks are observed. ► Metallic-covalent bonding in (RexNi1−x)Al alloys leads to increase of Cij at x > 30. ► The values of the PC and G/B predict an increase in ductility for NiAl-Re alloys.