Effect of Ta on the structural, thermodynamic and elastic properties of FCC Pt-W-Ta alloys – first-principles study

This study employs density functional theory (DFT) to predict the mechanical properties of ternary Pt-W-Ta alloys with concentrations of up to 10 at.%. The binary FCC Pt-10W alloy served as a benchmark to assess the effects of Ta additions. All studied alloys were FCC structures and were thermodynamically and mechanically stable. Pt-7W-3Ta alloy exhibited higher elastic moduli than Pt-10W and Pt-3W-7Ta, making it suitable for durable jewellery components. Hardness increased with increasing Ta content at the expense of ductility. Pt-3W-7Ta displayed higher hardness than Pt-10W and Pt-7W-3Ta.