Development of β Ti-xNb alloys through firstprinciples DFT analysis and P/M route for orthopedic implants

Karre, Rajamallu and Niranjan, Manish K and Dey, Suhash Ranjan (2015) Development of β Ti-xNb alloys through firstprinciples DFT analysis and P/M route for orthopedic implants. Transactions of PMAI, 41 (2). pp. 51-54. ISSN 0377-9416

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Abstract

First principle calculations based on density functional framework are employed to study the stability of β phase (bcc)with respect to α phase (hcp) in Ti-x(at.%)Nb alloys(x=6.25, 12.50, 18.75, 25, 31.25, 37.50, 50). In addition the elastic properties of all these combinations are calculated. The calculations showed that β phase in binary Ti-x(at.%)Nb is fully stabilized above 22(at.%) of Nb content. Calculated Young’s modulus for Ti-25(at.%)Nb is found to be 80GPa which is lower than the α-Ti alloys and there for suggesting reduction of ‘stress shielding effect’. Thermodynamically stable β phase in binary Ti-x(at.%)Nb is experimentally achieved with P/M prepared 25(at.%) of Nb and is confirmed by X-ray diffraction analysis.

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