Article ID Journal Published Year Pages File Type
1809503 Physica B: Condensed Matter 2014 5 Pages PDF
Abstract

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.

Related Topics
Physical Sciences and Engineering Physics and Astronomy Condensed Matter Physics
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