Elastic and thermal properties of some ternary $\beta$-Ti based alloys

Sergey O. Kasparyan ; Adil E. Ordabaev ; Alexander V. Bakulin ; Svetlana E. Kul'kova

Nanosistemy: fizika, himiâ, matematika, Tome 16 (2025) no. 2, pp. 225-234

Résumé

The elastic moduli and some thermal properties of four series of ternary $\beta$-Ti based alloys of the XY$_3$Ti$_{11}$ composition, where X and Y are elements of IVB–VIB, IIIA and IVA groups, have been studied using the projector augmented wave method within the density functional theory. It has been shown that the calculated Young’s moduli in these series of alloys are lower than those in commercially pure $\alpha$-Ti titanium or in the Ti-6Al-4V alloy. With an increase in the concentration of $s$, $p$-elements and the number of electrons in the $d$-band of the X-metal, the Young’s modulus tends to decrease. The variation of Debye temperature, acoustic Grüneisen parameter and thermal conductivity in titanium alloy series is discussed. It is shown that high thermal conductivity correlates with high Debye temperature, which in turn increases with increase of the values of the Young’s modulus.

Détail

Keywords: titanium alloys, elastic moduli, thermal conductivity, the ab-initio calculations.