First-principles investigations on the anisotropic elasticity and thermodynamic properties of U3Si2–Al-Reference-Cited by-同舟云学术

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First-principles investigations on the anisotropic elasticity and thermodynamic properties of U3Si2–Al

Published:2020 Issue:58 Volume:10 Page:35049-35056
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Chen Xinyu¹²³⁴⁵,Qin Yanqing⁵⁶⁷⁸⁹,Shi Diwei¹⁰¹¹¹²⁴,Guo Yaolin⁵⁶⁷⁸⁹,Bu Moran⁵⁶⁷⁸⁹,Yan Tao⁵⁶⁷⁸⁹,Song Jiexi¹³¹⁴¹⁵⁴,Liu Guoquan¹²³⁴,Zhang Yiming⁵⁶⁷⁸⁹^ORCID,Du Shiyu⁵⁶⁷⁸⁹^ORCID

Affiliation:

1. School of Sciences

2. Hebei University of Science and Technology

3. Shijiazhuang 050018

4. China

5. Engineering Laboratory of Nuclear Energy Materials

6. Ningbo Institute of Industrial Technology & Engineering

7. Chinese Academy Sciences

8. Ningbo

9. P. R. China

10. School of Physical Science and Technology

11. ShanghaiTech University

12. Shanghai 201210

13. Department of Applied Physics

14. Northwestern Polytechnical University

15. Xi'an 710072

Abstract

Three-dimensional Young's modulus diagrams of different structures are used to judge the degree of elastic anisotropy.

Funder

National Natural Science Foundation of China

National Basic Research Program of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2020/RA/D0RA07374A

Reference48 articles.

1. Materials challenges in nuclear energy

2. DFT+U approach on the electronic and thermal properties of hypostoichiometric UO2

3. Projector augmented-wave pseudopotentials for uranium-based compounds

4. A comparative analysis of the phonon properties in UO2 using the Boltzmann transport equation coupled with DFT + U and empirical potentials

5. A feasibility study of using CeO2as a surrogate material during the investigation of UO2thermal conductivity enhancement

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1. The effect of fission products Xe and Cs on the thermal conductivity of the U₃Si₂ lattice: a first-principles study;Journal of Physics: Condensed Matter;2023-09-11

2. First-principles calculations to investigate mechanical, thermal, oxidation and hydrogen properties of Y, Zr and Nb alloyed U3Si2;Vacuum;2023-09

3. Structural, electronic, elastic and thermal properties of Cr-doped U3Si2: A DFT study;Journal of Nuclear Materials;2023-06

4. The electronic and mechanical properties of (U, Th)O₂ compounds: a first-principles study;RSC Advances;2023

5. First-principles study of the stability and migration of Xe and Cs in U₃Si;Journal of Physics: Condensed Matter;2022-11-01

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