1. Thermal properties of V3Si.
- Author
-
Sharma, Saloni, Joshi, Nikhil, Maurya, Vijay, and Joshi, K. B.
- Subjects
- *
HELMHOLTZ free energy , *HEAT of formation , *DEBYE temperatures , *HEAT capacity , *THERMAL properties - Abstract
Using the ab-initio FP-LAPW technique, the structural and thermal characteristics of V3Si are investigated. The equilibrium structural parameters and the formation enthalpy obtained are in good agreement with the results of the existing experimental and theoretical data. To determine the internal energy, Helmholtz free energy, entropy, heat capacity at constant volume and pressure, Grüneisen parameter, thermal expansion coefficient and Debye temperature of V3Si, the ab-initio total energy calculations are linked with the second-generation software Gibbs2. It employs the Debye Slater and Debye Grüneisen models. The existing experimental and theoretical data are in accord with all of the current findings. [ABSTRACT FROM AUTHOR]
- Published
- 2024
- Full Text
- View/download PDF