Theoretical Investigation Of Mechanical And Thermal Features In ScTiZr and ScTiHf Alloys: A Comparative Study

This research article presents the theoretical investigation to study the mechanical and thermal properties of hexagonal closed-packed structured ScTiZr and ScTiHf ternary alloys. Lennard-Jones potential model has been used to compute the second order and third order elastic constants (SOECs and TOECs). The study focuses on elastic properties such as elastic moduli, ultrasonic velocities in different directions of hexagonal closed-packed cell, thermal properties such as heat capacity, thermal energy density and lattice thermal conductivity and ultrasonic attenuation due to phonon-phonon interactions and thermo-relaxation mechanism. It has been found that ScTiHf has more stiffness and tensile strength than ScTiZr. Heat capacity follows Dulong-Petit law and ultrasonic attenuation due to phonon-phonon interactions is predominant over that due to thermo-relaxation mechanism.