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.

Ämnesord

NATURVETENSKAP  -- Fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences (hsv//eng)

Nyckelord

titanium-alloys

potential model

youngs modulus

metals

approximation

Physics

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