Several questions relating to solid-solution strengthening in ${\mathrm{Ni}}_3$Al—substitution of V and its effect on the stability of the L$1_2$ structure of ${\mathrm{Ni}}_3$Al—are addressed using an all-electron total-energy local-density approach. By comparing the total energies of two (L$1_2$-like and D$0_{22}$-like) different structures of ${\mathrm{Ni}}_3$(${\mathrm{Al}}_{0.5}$,${\mathrm{V}}_{0.5}$), greater stability of the L$1_2$ structure for ternary additions of V compared with the D$0_{22}$-like structure is found (i.e., for V substitution on Al rather than Ni sites).

• Received 17 February 1987

DOI:https://doi.org/10.1103/PhysRevB.36.4186