In Januar,

New Year has started with application the Miedema and de Boer theory for calculation the formation enthalpies of metallic alloys, for example Fe-Ti. Yielded results was compared with DFT calculation. As is well known, Miedema’s group developed a widely used thermodynamic theory for calculating the formation energies of binary transition metal alloy systems. From first principles, one could calculate the formation energy of any alloy system, however, it is usually very complicated and requires approximations and assumptions in the calculation especially for the ternary and higher component alloys.