Xl. Shu et al., Properties of point defects and diffusion of the B2FeAl alloy calculated by a modified analytic EAM model, Z METALLKUN, 91(9), 2000, pp. 734-738
A simple modified analytic EAM model for bcc Fe and fcc Al metals is used t
o calculate the lattice constant and elastic constants of ordered intermeta
llic alloys of FeAl. The formation energies of vacancy and antisite defects
, and migration energies of FeAl in the B2 structure type are also calculat
ed. The present calculations are quite in agreement with the experimental d
ata and the results obtained by other authors.