The mechanical and thermodynamic properties of α-Na3(U0.84(2),Na0.16(2))O4: A combined first-principles calculations and quasi-harmonic Debye model study

The mechanical and thermodynamic properties of α-Na3(U0.84(2),Na0.16(2))O4: A combined first-principles calculations and quasi-harmonic Debye model study

The mechanical properties of α-Na3(U0.84(2),Na0.16(2))O4 have been researched using the first-principles calculations combined with the quasi-harmonic Debye model. The obtained lattice parameters agree well with the published experimental data. The results of elastic constants indicate that α-Na3(U0...

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Bibliographic Details
Main Author: Haichuan Chen
Format: Article
Language:English
Published: Elsevier 2021-02-01
Series:Nuclear Engineering and Technology
Subjects:
Trisodium uranate
Mechanical properties
Thermodynamic properties
The first-principles calculations
The quasi-harmonic Debye model
Online Access:http://www.sciencedirect.com/science/article/pii/S1738573320305404

Internet

http://www.sciencedirect.com/science/article/pii/S1738573320305404

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