Temperature and pressure investigation of Hf x Ta1–x C and Zr x Nb1–x C carbide alloys

Structural mechanical and thermal properties of refractory carbides have been investigated using the Realistic Interaction Potential Approach (RIPA) model. The study has been extended to mixed crystals of Hf x Ta1–x C (0 ≤ x ≤ 1) and Zr x Nb1–x C (0 ≤ x ≤ 1) alloys and the effect of composition on structural and elastic properties are investigated. Phase transition pressure and associated volume collapses (ΔV(P t )/V(0)) calculated from this approach are in good agreement with available literature for the parent compounds (x = 0 and x = 1). The results for the mixed crystal counter parts are also in fair agreement with experimental data generated from the application of Vegard’s law to data for the parent compounds.