Atomistic calculation of elastic constants of alpha-iron containing point defects by means of magnetic interatomic potentials

The recently developed magnetic potential for ferromagnetic BCC Fe [S.L. Dudarev, P.M. Derlet, J. Phys. ondens. Mat. 17 (2005) 7097; P.M. Derlet, S.L. Dudarev, Prog. Mater. Sci. 52 (2007) 299] is used to investigate the change in the elastic constants of bcc α-Fe as a function of a concentration of interstitial and vacancy defects. The results are discussed in terms of experiment and current theoretical understanding.