Comparative study of short range order in Fe-Cr and Fe-V alloys around equiatomic composition.

摘要

Configurational energies have been calculated for equiatomic Fe-Cr and Fe-V alloys possessing the high temperature bcc crystalline structure, within a first principles electronic band structure approach. In agreement with experimental facts, a tendency towards order, with a B2 ordered structure of CsCl type, is found for FeV whereas phase separation characterized FeCr. These results suggest that the nature of short range order in the high temperature bcc solid solution is not the primary driving force for describing the structural transformation from bcc to sigma which takes place in both alloys upon decreasing temperature. 15 refs., 9 figs., 1 tab.