Experimental and theoretical determination of the metastable Fe-V phase diagram

The Fe-V phase diagram is calculated in the cube-rhombohedron-octahedron approximation of the cluster variation method for four sets of effective pair interactions that include up to fifth neighbors. Two of the sets of pair interactions were determined using a real space inverse cluster variation method from short-range order intensity data measured at 1133 and 1473 K in a Fe-19.6%V single crystal. The other two sets of interactions were previously calculated by Sluiter and Turchi in the Fe₃V and FeV systems using electronic structure methods. The results are compared to experimental data for the metastable phase diagram. The phase diagrams obtained from the short-range order intensity measurements are in good agreement with the experimental data. {} 1996 The American Physical Society.