Vacancies and antisites in B2FeAl and DO3 Fe3Al with a modified analytic EAM model
Vacancies and Antisites in B2 FeAl and DO_3 Fe_3Al with a Modified Analytic EAM Model

A simple modified analytic EAM model for bcc Fe and fcc AI was used to calculate the lattice constant and elastic constants of B2 FeAl and DO3 Fe3Al alloys. The formation energies of vacancy and antisite were also calculated. The present calculations are in agreement with the experimental data and the theoretical results obtained by other authors.