First principles study of Ti-Zr-Ta alloy phase stability and elastic properties

Abstract The effects of Ta and Zr content on the stability, elastic properties electronic structure Ti-Zr-Ta alloy phase were studied by first principles calculation method based density functional theory. Moreover, was fabricated spark plasma sintering (SPS) using spherical Ti powder,Ta powder, powder produced rotation electrode process (PREP). Afterward, temperature, microstructure mechanical samples investigated. results showed that key factors which affected densification. When temperature raised, relative significantly increased. first- also indicated Ti-1Zr-Ta possesses lowest Young’s modulus best ductility, showing great potential biomedical applications agrees with experimental preparation.