Surface energy of ordered NiAl and Ni3Al alloys

The surface energies of NiAl alloy with the B2 structure and Ni₃Al alloy with the L1₂ structure for the (100), (110) and (111) faces are calculated by the model electron density functional method. The anisotropy of the surface energy of the alloys is compared with the anisotropy of of the pure metals. It is shown that the value of of NiAl and Ni₃Al is determined by the thermodynamic properties of the alloy and agrees well with the values obtained using Miedema's semiempirical formula.Institute of Physics of Strength and Study of Materials, Russian Academy of Sciences, Siberian Division. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 10, pp. 80–86, October, 1994.