Pressure effects on thermo-mechanical properties of intermetallic B2-type FeAl alloy

摘要

The pressure effects on thermo-mechanical properties of B2-type FeAl compound have been investigated based on the moment method in statistical mechanics. We derive analytical expressions of equation-of-state, isothermal bulk modulus and specific heats at constant volume and constant pressure of B2-type iron aluminide intermetallic compound. Numerical calculations for lattice parameter, isothermal bulk modulus, Young's modulus, shear modulus and specific heat at constant pressure of B2-type Fe-40 at.% Al have been performed up to pressure of 10 GPa. Our research shows that the elastic moduli are linear proportional to pressure and the specific heat at constant pressure diminishes strongly at temperature below 300 K. The present statistical moment method results are compared with available experimental data as well as ab initio calculations when possible to verify the developed theory. This research proposes the potential of the moment method in the investigation of thermo-mechanical properties of materials under pressure.