Crystallographic phase pure C15-Fe2Zr was obtained through arc melting technique. X-ray Diffraction (XRD), scanning electron microscope (FESEM) along with energy-dispersive X-ray analysis (EDS) and differential scanning calorimetry (DSC)were employed to study the single phase in Fe-33.3at.% Zr alloy. Rietveld refinement of the high-temperature XRD patterns (from 298K-873 K) revealed the average linear and volumetric coefficients of thermal expansion of the alloys as αai= 0.3643 × 10−5 K−1 and αVi = 1.0916 × 10−5 K−1, respectively. The experimental heat capacity and enthalpy increment of the C15-Fe2Zr phase from 310K to 890K was modelled employing Quasi-harmonic Debye Grüneisen theoretical modelling by identifying the vibrational, electronic, anharmonic and magnetic contributions. Curie temperature(~625K) was determined from the magnetic contribution of the heat capacity.
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