On the relative stability of the crystal structures of iron

Iron has ab.c.c, structure below 1183GK and above 1670GK In between it has anf.e.c, structure. In this paper the free enthalpy of ab.e.c, lattice and af.c.c lattice is calculated from an interatomic potential of the Morse type. The parameters of the Morse potential are considered as functions of temperature and their values are determined from macroscopic measurements of the lattice constant, the enthalpy and the entropy. The calculated free enthalpies exhibit intersections that correspond to the observed phase transitions. The intersections occur at temperatures which are close to the observed transition temperatures.