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Rajamallu, Karre
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article
Phase stability and elastic properties of β Ti-Nb-X (X=Zr, Sn) alloys: An ab-initio density functional study
Abstract
Alloying effects of Sn and Zr on β phase stability and elastic properties in Ti-Nb alloys are investigated within the framework of first-principles density functional theory. Our results suggest that the stability of β phase can be significantly enhanced by the addition of Sn and Zr in Ti-Nb alloys. The computed results indicate that Sn and Zr behave as strong β stabilizers in the Ti-Nb system. The elastic properties are found to be altered considerably by the addition of ternary alloying elements (Sn and Zr). The computed elastic moduli of Ti18.75at.%Nb6.25at.%Zr and Ti25at.%NbxZr compositions are found to be lower than that for Ti18.75at.%Nb6.25at.%Sn and Ti25at.%NbxSn system. The lowest value of ~54 GPa is obtained for Ti25at.%Nb6.25at.%Zr composition. Furthermore, the directional Young's modulus is found to be in the order of E 100 < E 110 < E 111 for all the compositions of Ti-Nb-Zr and Ti-Nb-Sn system.