Quasi-lattice model for the thermodynamic properties and microscopic structure of molten Fe–Si alloy

Abstract

The quasi-lattice model has been used to study the concentration dependant thermodynamic properties and microscopic structure of Fe–Si alloys in molten state. We have determined the free energy of mixing, excess entropy of mixing, the concentration–concentration structure factor in long wavelength limit [SCC(0)] and the Warren–Cowley short range order parameter (α1) of Fe–Si liquid alloy at 1873K. The observed asymmetry in the properties of mixing of Fe–Si alloy in molten state is successfully explained on the basis of the quasi-lattice model. The analysis suggests that the Fe2Si complexes are most likely to exist in the liquid state and are strongly interacting in nature. The theoretical analysis suggests that the pairwise interaction energies between the species depend considerably on temperature and the alloy is more ordered towards Fe rich region.