TAF-ID: an international thermodynamic database for nuclear fuels applications

Christine Gueneau (1, 2) , Nathalie Dupin (3) , L. Kjellqvist (4) , E. Geiger (5) , Masaki Kurata (6) , Stéphane Gosse (1) , Emily Corcoran (7) , Andrea Quaini (1) , Ralph Hania (8) , Anna Louise Smith (9) , Markus Piro (5) , Ted Besmann (10) , Patrice Turchi (11) , Jean-Christophe Dumas (12) , J. Welland (13) , Toru Ogata (14) , B.O. Lee (15) , Rory Kennedy (16) , C. Adkins (16) , Mark Bankhead (17) , Davide Costa (18)

1 LM2T - Laboratoire de Modélisation, Thermodynamique et Thermochimie
2 SCCME - Service de la Corrosion et du Comportement des Matériaux dans leur Environnement
3 Calcul Thermodynamique
4 Lövsjö 205, Overhörnäs, 894 93
5 UOIT - University of Ontario Institute of Technology
6 JAEA - Japan Atomic Energy Agency [Ibaraki]
7 RMCC - Royal Military College of Canada
8 Nuclear Research and Consultancy Group
9 TU Delft - Delft University of Technology
10 University of South Carolina [Columbia]
11 LLNL - Lawrence Livermore National Laboratory
12 IRESNE - Institut de recherche sur les systèmes nucléaires pour la production d'énergie bas carbone
13 Chalk River Laboratories
14 Central Research Institute of Electrical Power Industry
15 KAERI - Korea Atomic Energy Research Institute [Daejeon, south Korea]
16 INL - Idaho National Laboratory
17 National Nuclear Laboratory (Warrington)
18 OCDE - Organisation de Coopération et de Développement Economiques = Organisation for Economic Co-operation and Development

The Thermodynamics of Advanced Fuels International Database (TAF-ID) was developed using the Calphad method to provide a computational tool to perform thermodynamic calculations on nuclear fuel materials under normal and off-normal conditions. Different kinds of fuels are considered: oxide, metallic, carbide and nitride fuels. Many fission products are introduced as well as structural materials (zirconium, steel, concrete, SiC) and B4C as absorber, in order to investigate the thermochemistry of irradiated fuels and to predict their chemical interaction with the surrounding materials. The approach to develop the database and the models implemented in the database are described. Examples of models for key ternary systems are presented as well as a few examples on how this tool can be used for different kinds of applications related to the nuclear fuel behavior.

Keywords: Nuclear fuels; Thermodynamic modelling; TAF-ID; Calphad; Severe accident; Corium; Irradiated fuels; Oxide fuels; Metallic fuels; Fuel-cladding interaction

Domains: Chemical Sciences; Physics [physics]; Engineering Sciences [physics]

Christine Gueneau, Nathalie Dupin, L. Kjellqvist, E. Geiger, Masaki Kurata, et al.. TAF-ID: an international thermodynamic database for nuclear fuels applications. Calphad, 2021, 72, pp.102212. ⟨10.1016/j.calphad.2020.102212⟩. ⟨cea-03118307⟩