Molecular dynamics simulation of the structural, elastic, and thermal properties of pyrochlores-Reference-Cited by-同舟云学术

Molecular dynamics simulation of the structural, elastic, and thermal properties of pyrochlores

Published:2016 Issue:47 Volume:6 Page:41410-41419
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Dong Liyuan¹²³⁴,Li Yuhong¹²³⁴,Devanathan Ram⁵⁶⁷⁸,Gao Fei⁹¹⁰¹¹⁸

Affiliation:

1. School of Nuclear Science and Technology

2. Lanzhou University

3. Lanzhou

4. China

5. Energy and Environment Directorate

6. Pacific Northwest National Laboratory

7. Richland

8. USA

9. Department of Nuclear Engineering & Radiological Sciences

10. University of Michigan

11. Ann Arbor

Abstract

We present a comprehensive simulation study of the effect of composition on the structural, elastic and thermal properties of 25 different compounds from the pyrochlore family.

Funder

China Scholarship Council

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/RA/C6RA04779C

Reference56 articles.

1. Radiation Tolerance of Complex Oxides

2. Nuclear waste disposal—pyrochlore (A2B2O7): Nuclear waste form for the immobilization of plutonium and “minor” actinides

3. Zircon: A host-phase for the disposal of weapons plutonium

4. Radiation effects in crystalline ceramics for the immobilization of high-level nuclear waste and plutonium

5. Ceramic materials for thermal barrier coatings

Cited by 29 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Effect of Yb3+ on the thermophysical and mechanical properties of gadolinium zirconate ceramics: First-principles calculations and experimental study;Journal of Alloys and Compounds;2024-12

2. Thermophysical properties of Yb3+-doped nonstoichiometric gadolinium zirconate ceramics;Ceramics International;2024-09

3. Molecular dynamics simulation study of the effect of Ce ⁴⁺ incorporation at Zr site on the threshold displacement energy in Y ₄ Zr ₃ O ₁₂ material;Journal of Nuclear Science and Technology;2024-03-04

4. Atomic Insights into the Structural Properties and Displacement Cascades in Ytterbium Titanate Pyrochlore (Yb2Ti2O7) and High-Entropy Pyrochlores;Journal of Composites Science;2023-10-05

5. Study on the influence of temperature and strain rate on the tensile behavior of Ti–5Mo–5Cu alloy biomaterial alloy: a molecular dynamics simulation;Functional Composites and Structures;2023-09-01