Phase equilibria in the Fe–Rh–Ti system II. CVM calculations

Cluster Variation Method (CVM) calculations of phase equilibria in the bcc Fe–Rh–Ti system were performed in the irregular tetrahedron (IT) approximation including tetrahedron interactions. The energy parameters were obtained from a fit to recent experimental data on phase equilibria at 1000 °C and 800 °C. At these temperatures the ordering between first nearest neighbours dominates leading to large single-phase fields with B2 ordering. At lower temperatures the calculations predict additional ordering between second nearest neighbours of type D03. In the Fe–Ti system the second neighbour interactions are of segregation type leading to miscibility gaps between the disordered A2 and the ordered B2 phases extending from the binary Fe–Ti system into the ternary system. Calculated isothermal sections are presented at several temperatures. The complex ordering in the ternary system leads to strong variations of chemical potentials with composition. This is shown by calculated iso-chemical potential contours.