A simple modified analytical model for body-centered cubic Fe and face-centered cubic Al was used calculate the lattice constants and elastic constants of ordered intermetallic alloys of FeAl. The formation energies of vacancy and antisite defects, and the migration energies of FeAl with a B2-structure, were also calculated. The calculated data were in good agreement with experimental data.

Properties of Point Defects and Diffusion of the B2 FeAl Alloy Calculated by a Modified Analytic EAM Model. X.Shu, W.Hu, H.Xiao, B.Zhang: Zeitschrift für Metallkunde, 2000, 91[9], 734-8