Modeling of thermodynamic properties for Bcc, Fcc, liquid, and amorphous iron

Abstract

The thermodynamic properties of pure iron have been analyzed by using models that contain some parameters of physical significance. In addition to the lattice, electronic, and magnetic components, a contribution to the heat capacity due to the excitation between two magnetic states has been considered for the fcc phase. The liquid and amorphous phases have been treated as one phase with the generalized two-state model. The magnetic properties of amorphous iron have been reviewed and taken into account in the modeling. A relatively more accurate description of the magnetic effect in the bcc phase has been obtained; this is found to be essential for the accommodation of various experimental measurements on the enthalpy and Gibbs energy differences between bcc and fcc iron.