Relaxed grain boundary structures in B2 aluminides were investigated by using molecular statics, and interatomic potentials of embedded atom type. It was found that the present compounds exhibited increasing antiphase boundary energies in the order: FeAl - NiAl - CoAl. The atomic structures of the  = 5 (310)[100] and  = 5 (210)[100] symmetrical tilt grain boundaries in these compounds were studied with regard to the effect of variations in local chemical composition upon grain boundary energies. The structures which were deduced for these 3 alloys were very similar.

B.Mutasa, D.Farkas: Materials Science Forum, 1996, 207-209, 305-8