Abstract
ABSTRACTConfigurational 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 CsCI type, is found for FeV whereas phase separation characterizes 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.
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