oa Structure–Property Correlation in XAl (X = Ru, Ir, Ni): Effect of Temperature and Crystallographic Orientation on Physical Properties

The intermetallic compounds XAl (X: Ru, Ir, Ni) show unique combinations of mechanical strength, thermal stability, and oxidation resistance, making them attractive for advanced structural and functional applications. Present work explored the ultrasonic properties of selected materials for understanding of thermophysical temperature dependent behaviour. The thermophysical properties for selected intermetallic compound XAl (X: Ru, Ir, Ni) such as specific heat, energy density, thermal conductivity, Debye temperature, thermal relaxation time have been enumerated using SOECs and TOECs (2nd and 3rd order elastic constants) via Born potential model in the temperature range 0-500K. The ELATE visualization tool has been used to envision mechanical parameters such as Young's modulus, shear modulus, Poisson's ratio and compressibility (linear) at zero pressure for RuAl, IrAl and NiAl in 3D. The mechanical and ultrasonic properties of XAl (X: Ru, Ir, Ni) such as shear modulus, Young’s modulus, Zener anisotropic factor, Poisson’s ration, Pugh’s ratio and ultrasonic wave velocities for longitudinal and shear modes along <100>, <110> and <111> directions have been enumerated using the established mathematical model. Finally, all computed parameters have been utilized to evaluate the ultrasonic attenuation for the selected intermetallics. The obtained results have been discussed and cumulated with available results on the materials for further analysis of intermetallic bonding, phase stability, and high-temperature behaviour.