First principles study of phase stability and elastic properties of Ti94Mo6-xZrx (where x: 2 ≤ x ≥ 5) for biomaterials

Elastic modulus is a very important physical aspect for biomaterials which impartial to various replacements as artificially hip joints, bone plate, and gum implants since it measures the material’s resistance be deformed elastically. This because “stress shielding effect” will result in re absorption of natural implant loosening if great difference elastic exists between biomaterial human bone. In this study first principle calculations have been performed β-phase Ti-Mo-Zr system improve its moduli. The phase stability Ti94Mo6-xZrx (where x: 2 - 5) alloys was investigated with respect their equilibrium lattice parameters, constants density states. results suggest that Youngs moduli can significantly enhanced addition Zirconium (Zr) decreasing Molybdenum (Mo) concentration while keeping Titanium (Ti) constant, indicates stability. structures found -2GPa 24GPa. electronic states curves also showed Ti94Mo4Zr2 observed Fermi level located close valley pseudogap. obtained are agreement available experimental data similar trend. has shown Zr improved properties alloy.