Study In Equilibrium Phase Stability And Elastic Modulus Of β-titanium Alloy By First Principles Method

Titanium alloys have been practically used as biomedical metallic materials because of goodbiocompatibility, corrosion resistance and mechanical properties especially beta-Ti alloys with lowelastic modulus are one of the research hotports. In recent years, researchers at The Chinese academyof sciences Institute of metal titanium alloy research Yang Rui and Hao Yulin developed Ti2448alloywith low modulus near human bones, high specific strength, good corrosion resistance andbiocompatibility characteristics, having a broad application prospect such as in medical bone repairand bone substitution, and other fields. The alloying effects of transition metal：V, Cr, Nb, Mo andsimple metal： Al and Ge on the phase stability and elastic properties of Ti are investigatedsystematically by using a first-principles method. We find that the addition of V, Cr, Nb, Mo and Ge totitanium stabilize strongly beta phase over the alpha phases, whereas Al does not except forTi-15(at.%)V-yAl, and the addition of V, Cr, Nb, Mo, Ge and Al all stabilize strongly beta over theomega phases. Our calculation results also indicate that V, Cr, Nb and Mo both stabilize β-Ti alloy andharden the elastic modulus, whereas Al and Ge do not harden the elastic moduli. Alloying of both Aland Ge can be a good candidate material for low modulus biomedical applications.