Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5491851 | Physica B: Condensed Matter | 2017 | 5 Pages |
Abstract
The anisotropic elastic properties, Vickers hardness, Debye temperature and the minimum thermal conductivity of c-Na3UO4 and o-Na3UO4 have been investigated by means of the first principles calculations. The lattice parameters are in good agreement with the available experimental data and the theoretical results. The elastic constants satisfy the mechanical stability criteria show that both of them are mechanically stable. The value of B/G and Cauchy pressure reveal that the c-Na3UO4 holds a ductile behavior while the o-Na3UO4 behaves a brittle manner. The elastic anisotropy of c-Na3UO4 is less weak than that of o-Na3UO4. The hardness shows that both of them can be classified as “soft materials”. Finally, the Debye temperature is 452.6Â K and 388.4Â K, and the minimum thermal conductivities kmin is 0.883Â WÂ mâ1Â Kâ1 and 0.753Â WÂ mâ1Â Kâ1 of c-Na3UO4 and o-Na3UO4, respectively. Due to relatively lower thermal conductivity, and thereby they are suitable to be used as thermal insulating materials.
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Condensed Matter Physics
Authors
Haichuan Chen, Wenyan Tian,