Investigation of the elastic, hardness, and thermodynamic properties of actinide oxides

The elastic and thermodynamic properties of actinide oxides (AO2) compounds have been investigated by using the first-principle density functional theory (DFT) within the generalized gradient approximation (GGA). The calculated lattice constants of AO2 are in agreement with the available experiments data. The calculated elastic constants reveal that all AO2 compounds are mechanically stable. The shear modulus, Young׳s modulus, Poisson׳s ratio σσ, the ratio B/G and the anisotropy factor are also calculated. Finally, the Vickers hardness, Debye temperature, melting point and thermal conductivity have been predicted.