Investigation of oxygen self-diffusion in PuO2 by combining molecular dynamics with thermodynamic calculations

Author:

Saltas V.12343,Chroneos A.56789,Cooper M. W. D.10111213ORCID,Fitzpatrick M. E.914158ORCID,Vallianatos F.12343

Affiliation:

1. School of Applied Sciences

2. Technological Educational Institute of Crete

3. Greece

4. UNESCO Chair on Solid Earth Physics and Geohazards Risk Reduction

5. Department of Materials

6. Imperial College London

7. London SW7 2AZ

8. UK

9. Faculty of Engineering, Environment and Computing

10. Materials Science and Technology Division

11. Los Alamos National Laboratory

12. Los Alamos

13. USA

14. Coventry University

15. Coventry CV1 5FB

Abstract

Oxygen self-diffusion in PuO2 is investigated at elevated temperatures and pressures, by combining molecular dynamics and thermodynamic calculations.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

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4. Thermodynamics and kinetics of intrinsic point defects in plutonium dioxides;Journal of Nuclear Materials;2019-12

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