PHYSICS

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

Sergey O. Kasparyan^ab, Adil E. Ordabaev^b, Alexander V. Bakulin^a, Svetlana E. Kul'kova<sup>a

a</sup> Institute of Strength Physics and Materials Science of the Siberian Branch of the Russian Academy of Sciences, Tomsk, Russia
^b National Research Tomsk State University, Tomsk, Russia

Abstract: 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.

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

Received: 03.04.2025
Revised: 07.04.2025
Accepted: 08.04.2025

Language: English

DOI: 10.17586/2220-8054-2025-16-2-225-234