Assessment of empirical potential for MOX nuclear fuels and thermomechanical properties

JOURNAL OF NUCLEAR MATERIALS

卷:495

Review

Balboa, Hector¹  Van Brutzel, Laurent¹  Chartier, Alain¹  Le Bouar, Yann² 

[1] Univ Paris Saclay, CEA, Den Serv Corros & Comportement Mat Leur Environm, F-91191 Gif Sur Yvette, France

[2] Off Natl Etud & Rech Aerosp, CNRS, Lab Etud Microstruct, 29 Ave Div Leclerc,BP 72, F-92322 Chatillon, France

关键词: Molecular dynamics;    Nuclear fuel;    Mechanical;    Assessment;   

DOI  :  10.1016/j.jnucmat.2017.07.067

来源: Elsevier

【 摘 要 】

We assess five empirical interatomic potentials in the approximation of rigid ions and pair interactions for the (U1-y, Pu-y)O solid solution. The assessment compares available experimental data and Fink's recommendation with simulations on: the structural, thermodynamics, and mechanical properties over the full range of plutonium composition, from pure UO2 to pure PuO2 and for temperatures ranging from 300 K to the melting point. The best results are obtained by potentials referred as Cooper and Potashnikov potentials. The first one reproduces more accurately recommendations for the thermodynamics and mechanical properties exhibiting ductile-like behaviour during crack propagation, while the second one gives brittle behaviour at low temperature. (C) 2017 Elsevier B.V. All rights reserved.

【 授权许可】

Free