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

Qing-Miao Hu; Shu-Jun Li; Yu-Lin Hao; Rui Yang; Johansson, Börje; Vitos, Levente
September 2008
Applied Physics Letters;9/22/2008, Vol. 93 Issue 12, p121902
Academic Journal
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.


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