Phase stability and elastic modulus of Ti alloys containing Nb, Zr, and/or Sn from first-principles calculations.

The alloying effects of Nb, Zr, and/or Sn on the phase stability and elastic properties of Ti are investigated by using a first-principles method. Our calculation results indicate that a carefully designed Ti–Nb–Zr–Sn system can be a good candidate for low modulus biomedical materials. We find that the well-known correlation between the e/a ratio and both elastic and phase stabilities for Ti alloyed with transition metal elements breaks down for the Ti–Sn alloy. [ABSTRACT FROM AUTHOR]