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In this study, the (hkl) plane energies of bcc and bct Fe crystals were calculated as a function of internal interactions between atoms. The Classical Morse Potential Function applied in the theoretical studies of transition elements was used in Fortran code for analytical calculations. Since the force applied to the crystal at the equilibrium has bcc → bct conversion, we calculated the variations of the a2 lattice parameter depending on the a1 lattice parameter. The (hkl) plane energies of bcc and bct crystals were determined using calculated lattice parameters. Calculations are limited to 9 (hkl) planes. For the bcc Fe (h00) planes, the internal energy passed through the minimum points, while the energy in the (hk0) and (hkl) planes changed parabolically. In the case of bct, no stability point was determined on any plane. Theoretical calculations show that the total energy is the nearest plane energy of the incoming feeds. In bcc → bct phase transformation, the system has a single equilibrium point and the stability range is not very large. This calculation method can be successfully applied to cubic Fe and Fe-based alloys in the theoretical studies.

International Iron & Steel Symposium
UDCS

Hamza Yaşar Ocak Gökay UĞUR Şule UĞUR