Investigations Supporting MOX Fuel Licensing in ESNII Prototype Reactors

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Deliverables

Report on the calculation of heat capacity vs. composition and stoichiometry

4th Newsletter

Report on the investigation of defect behaviour in MOX using electronic structure calculations and experimental techniques

Report describing the results of fuel rod performance simulations on the selected case studies

Synthesis of second user group meeting

1st Newsletter

Report describing the results of the benchmark between improved codes and previous versions on selected irradiation experimental cases

Report on the review of available models and progress on the sub-models dealing with the intra- and intergranular inert gas behaviour

Report on the experimental investigation of thermal evolution of mechanical properties of UO2 and MOX

Report on the volatile product behaviour in MOX

Report on simulations of mechanical properties of MOX under irradiation

Synthesis and assessment report on exchanges

Report synthesizing the knowledge on fuel behaviour under irradiation obtained in WP7 and more generally in INSPYRE and to be transferred to the user group

3rd Newsletter

Report on the margin to melting behaviour of irradiated fast breeder MOX

Report of the kinetic Monte Carlo investigation of diffusion and consequence on mechanical properties

Synthesis of second meeting with the Scientific Advisory Committee

Report on the development of thermo-kinetic models and on the mobility database

Report on the improved models of melting temperature and thermal conductivity for MOX fuels and JOG

Report on polycrystalline mechanical model for viscoplastic behaviour of UO2 and (U,Pu)O2 fuels

Report on new experimental results and on the mechanisms specific to FBR fuel thermal conductivity

Final report about the micro-mechanical rupture model and the NTFA modelling for nuclear fuels and their implementation in the MFRONT code generator

Report on the fission gas and He behaviour in UO2

Synthesis of the first user group meeting

Report on the improved model of melting temperature and thermal conductivity for mixed oxide fuel doped with low MA contents (<5%)

Report on atomic transport properties in (U,Pu,Am)O2

Report on the gas behaviour in fresh, infused, ion-irradiated and neutron-irradiated fuels and new insights on the mechanisms involved

Report on evolution of mechanical properties under ion irradiation

Report describing the complete inert gas behaviour model with grain re-crystallization and the corresponding improved data

Report on thermodynamic data of fission product phases for the JOG modelling

Report on MOX/steel chemical interaction

Report describing the incorporation and verification of models and properties in TRANSURANUS, MACROS/TRANSURANUS and GERMINAL

Report describing the irradiation experiments selected for the assessment of fuel performance codes

2nd Newsletter

Report describing the conclusions from the comparison of the modelling and experimental results on the evolution of mechanical properties in temperature, under ion and neutron irradiation

Report on irradiated fuel thermodynamic modelling

Report on the CALPHAD optimisation of (U-Pu-Am-O) phase diagrams

Report on the self-diffusion coefficients and mechanisms derived from the experimental and simulation results

Synthesis of first meeting with the Scientific Advisory Committee

Report on creep under neutron irradiation

Report on results of the applicative benchmark between TRANSURANUS and GERMINAL

New correlations of thermal expansion and Young's modulus based on existing literature and new data

Publications

Study of thermodynamic properties of U1-yPuyO2 MOX fuel using classical molecular Monte Carlo simulations

Author(s): Cyrille Takoukam-Takoundjou, Emeric Bourasseau, Véronique Lachet
Published in: Journal of Nuclear Materials, Issue 534, 2020, Page(s) 152125, ISSN 0022-3115
Publisher: Elsevier BV
DOI: 10.1016/j.jnucmat.2020.152125

Theoretical investigation of charged vacancies and clusters in UXO2 (X = La, Ce, Pu, Am)

Author(s): J. Bouchet, R. M. Dianzinga and G. Jomard
Published in: Journal of applied physics, Issue 132,75110, 2021, ISSN 1089-7550
Publisher: AIP Publishing
DOI: 10.1063/5.0098635

Extension and application of the TRANSURANUS code to the normal operating conditions of the MYRRHA reactor

Author(s): Magni, A.; Barani, T.; Belloni, F.; Boer, B.; Guizzardi, E.; Pizzocri, D.; Schubert, A.; Van Uffelen, P.; Luzzi, L.
Published in: Nuclear Engineering and Design, Issue 386, 2021, ISSN 0029-5493
Publisher: Elsevier BV
DOI: 10.1016/j.nucengdes.2021.111581

Electron polarons and donor point defects in americium dioxide AmO 2

Author(s): Martin Talla Noutack, Michel Freyss, Gérald Jomard, Grégory Geneste
Published in: Physical Review B: Condensed Matter and Materials Physics, Issue 101, 2020, ISSN 1098-0121
Publisher: American Physical Society
DOI: 10.1103/physrevb.101.024108

Changes in voids induced by ion irradiations in UO2: In situ TEM studies

Author(s): C. Onofri, C. Sabathier, G. Carlot, D. Drouan, C. Bachelet, C. Baumier, M. Gérardin, M. Bricout
Published in: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Issue 463, 2020, Page(s) 76-85, ISSN 0168-583X
Publisher: Elsevier BV
DOI: 10.1016/j.nimb.2019.11.031

Experimental investigation of Kr diffusion in UO2+x: slight deviations from stoichiometry, significant effects on diffusion kinetics and mechanisms

Author(s): D. Horlait, J. Domange, M.-L. Amany, M. Gérardin, M.-F. Barthe, G. Carlot, E. Gilabert
Published in: Journal of Nuclear Materials, Issue 574, 154191, 2022, ISSN 0022-3115
Publisher: Elsevier BV
DOI: 10.1016/j.jnucmat.2022.154191

Advances on GenIV structural and fuel materials and cross-cutting activities between fission and fusion

Author(s): Lorenzo Malerba; Pietro Agostini; Marjorie Bertolus; Fabienne Delage; Annelise Gallais-During; Christian Grisolia; Karine Liger; Pierre-François Giroux
Published in: "EPJ N - Nuclear Sciences & Technologies, EDP Sciences, 2020, 6, pp.32. ⟨10.1051/epjn/2019021⟩", Issue 6-32, 2020, ISSN 2491-9292
Publisher: EPJ Nuclear Sciences & Technologies
DOI: 10.1051/epjn/2019021

Investigation of the Cs2(Mo,Te)O4 solid solutions and implications on the “Joint-Oxyde-Gaine” system in Fast Neutron Reactors

Author(s): Enrica Epifano, Andrea Volfi, Maas Abbink, Hendrik Nieuwland, Lambert van Eijck, Gilles Wallez, Dipanjan Banerjee, Philippe M. Martin, and Anna L. Smith
Published in: Inorganic Chemistry, Issue 59, 2020, ISSN 0020-1669
Publisher: American Chemical Society
DOI: 10.1021/acs.inorgchem.0c01307

Structural, electronic and energetic properties of uranium–americium mixed oxides ${\rm U}_{1-y}{\rm Am}_y{\rm O}_2$ using DFT$+{U}$ calculations

Author(s): Martin S. Talla Noutack, Gérald Jomard, Michel Freyss, Grégory Geneste
Published in: Journal of Physics: Condensed Matter, Issue 31/48, 2019, Page(s) 485501, ISSN 0953-8984
Publisher: Institute of Physics Publishing
DOI: 10.1088/1361-648x/ab395e

Thermodynamic modelling of the uranium-tellurium system. Estimation of the uncertainties by a Bayesian Approach.

Author(s): Christine Guéneau, Eva Lawrence, Thierry Klein, Fabrice Gamboa
Published in: Thermo, Issue 2,15, 2022, ISSN 2673-7264
Publisher: MDPI
DOI: 10.3390/thermo2010003

A new burn-up module for application in fuel performance calculations targeting the helium production rate in (U,Pu)O2 for fast reactors

Author(s): A.Cechet, S.Altieri, T.Barani L.Cognini, S.Lorenzi, A.Magni, D.Pizzocri, L.Luzzi
Published in: Nuclear Engineering and Technology, Issue 53, 2020, ISSN 1738-5733
Publisher: Korean Nuclear Society
DOI: 10.1016/j.net.2020.12.001

An improved method to evaluate the “Joint Oxyde-Gaine” formation in (U,Pu)O2 irradiated fuels using the GERMINAL V2 code coupled to Calphad thermodynamic computations

Author(s): Karl Samuelsson, Jean-Christophe Dumas, Bo Sundman and Marc Lainet
Published in: EPJ Nuclear Sciences and Technologies, Issue 6,47, 2020, ISSN 2491-9292
Publisher: EDP Sciences
DOI: 10.1051/epjn/2020008

Assessment of three European fuel performance codes against the SUPERFACT-1 fast reactor irradiation experiment

Author(s): Lelio Luzzi; T. Barani; B. Boer; L. Cognini; A. Del Nevo; M. Lainet; S. Lemehov; A. Magni; V. Marelle; B. Michel; D. Pizzocri; A. Schubert; P. Van Uffelen; M. Bertolus
Published in: Nuclear Engineering and Technology, Vol 53, Iss 10, Pp 3367-3378 (2021), Issue 53, 2020, Page(s) 3367-3378, ISSN 1738-5733
Publisher: Korean Nuclear Society
DOI: 10.1016/j.net.2021.04.010

Modeling intra-granular fission gas bubble evolution and coarsening in uranium dioxide during in-pile transients

Author(s): T. Barani, G. Pastore, A. Magni, D. Pizzocri, P. Van Uffelen, L. Luzzi
Published in: Journal of Nuclear Materials, Issue 538, 2020, Page(s) 152195, ISSN 0022-3115
Publisher: Elsevier BV
DOI: 10.1016/j.jnucmat.2020.152195

On the intra-granular behaviour of a cocktail of inert gases in oxide nuclear fuel: Methodological recommendation for accelerated experimental investigation

Author(s): M.Romano, D.Pizzocri, L.Luzzi
Published in: Nuclear Engineering and Technology, Issue 54, 2021, ISSN 1738-5733
Publisher: Korean Nuclear Society
DOI: 10.1016/j.net.2021.11.020

Overview on Lead-Cooled Fast Reactor Design and Related Technologies Development in ENEA

Author(s): Mariano Tarantino, Massimo Angiolini, Serena Bassini ,Sebastiano Cataldo, Chiara Ciantelli,Carlo Cristalli, Alessandro Del Nevo, Ivan Di Piazza, Dario Diamanti, Marica Eboli, Angela Fiore, Giacomo Grasso, Francesco Lodi, Pierdomenico Lorusso, Ranieri Marinari, Daniele Martelli, Francesca Papa, Camillo Sartorio, Marco Utili and Alessandro Venturini
Published in: Energies, Issue 14,5157, 2021, ISSN 1996-1073
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/en14165157

Modeling high burnup structure in oxide fuels for application to fuel performance codes. part I: High burnup structure formation

Author(s): T. Barani; D. Pizzocri; Fabiola Cappia; Lelio Luzzi; Giovanni Pastore; P. Van Uffelen
Published in: Journal of Nuclear Materials, Issue 539, 2020, ISSN 0022-3115
Publisher: Elsevier BV
DOI: 10.1016/j.jnucmat.2020.152296

Modelling of plutonium diffusion in (U,Pu)O2±x mixed oxide

Author(s): P. Chakraborty, C. Guéneau, A. Chartier
Published in: Solid State Ionics, Issue 357, 2020, ISSN 0167-2738
Publisher: Elsevier BV
DOI: 10.1016/j.ssi.2020.115503

Modeling high burnup structure in oxide fuels for application to fuel performance codes. Part II: Porosity evolution

Author(s): Tommaso Barani; Davide Pizzocri; Fabiola Cappia; Giovanni Pastore; Lelio Luzzi; Paul Van Uffelen
Published in: Journal of Nuclear Materials, Issue 563, 2022, ISSN 0022-3115
Publisher: Elsevier BV
DOI: 10.1016/j.jnucmat.2022.153627

Assessment of INSPYRE-extended fuel performance codes against the SUPERFACT-1 fast reactor irradiation experiment

Author(s): L. Luzzi, T. Barani, B. Boer, A. Del Nevo, M. Lainet, S. Lemehov, A. Magni, V. Marelle, B. Michel, D. Pizzocri, A. Schubert, P. Van Uffelen, M. Bertolus
Published in: Nuclear Engineering and Technology, Issue 55,884, 2022, ISSN 1738-5733
Publisher: Korean Nuclear Society
DOI: 10.1016/j.net.2022.10.038

Optimization of a new interatomic potential to investigate the thermodynamic properties of hypo-stoichiometric mixed oxide fuel U1−yPuyO2−x

Author(s): C. Takoukam-Takoundjou, E. Bourasseau, M J D. Rushton, and V. Lachet
Published in: Journal of Physics: Condensed Matter, Issue 32, 2020, ISSN 0953-8984
Publisher: Institute of Physics Publishing
DOI: 10.1088/1361-648x/abace3

A new thermo-desorption laser-heating setup for studying noble gas diffusion and release from materials at high temperatures

Author(s): Denis Horlait, Rémi Faure, Bertrand A. Thomas, Nicolas Devert, Marie-Lyne Amany, Gaëlle Carlot, and Éric Gilabert
Published in: Review of Scientific Instruments, Issue 92, 2021, ISSN 0034-6748
Publisher: American Institute of Physics
DOI: 10.1063/5.0068858

Application of the SCIANTIX fission gas behaviour module to the integral pin performance in sodium fast reactor irradiation conditions

Author(s): A. Magni, D. Pizzocri, L. Luzzi, M. Lainet, B. Michel
Published in: Nuclear Engineering and Technology, Issue 54, 2022, ISSN 1738-5733
Publisher: Korean Nuclear Society
DOI: 10.1016/j.net.2022.02.003

A new law of heat capacity for UO2, PuO2 and (U,Pu)O2 derived from molecular dynamics simulations and useable in fuel performance codes

Author(s): Didier Bathellier, Marc Lainet, Michel Freyss, Pär Olsson, Emeric Bourasseau
Published in: Journal of Nuclear Materials, Issue 549, 2021, ISSN 0022-3115
Publisher: Elsevier BV
DOI: 10.1016/j.jnucmat.2021.152877

Modelling of thermal conductivity and melting behaviour of minor actinide-MOX fuels and assessment against experimental and molecular dynamics data

Author(s): A. Magni; Lelio Luzzi; D. Pizzocri; A. Schubert; P. Van Uffelen; A. Del Nevo
Published in: Journal of Nuclear Materials, Issue 557, 2021, ISSN 0022-3115
Publisher: Elsevier BV
DOI: 10.1016/j.jnucmat.2021.153312

Investigation of the bulk and point defects properties in uranium-plutonium mixed oxides (U,Pu)O2 using DFT+ U : effect of a lowamericium content

Author(s): Martin S. Talla Noutack, Grégory Geneste, Gérald Jomard, and Michel Freyss
Published in: Journal of Applied Physics, Issue 131, 2022, ISSN 0021-8979
Publisher: American Institute of Physics
DOI: 10.1063/5.0090000

The effect of oxygen partial pressure on dislocation creep in polycrystalline uranium dioxide

Author(s): Philippe Garcia, Audrey Miard, Thomas Helfer, Jean-Baptiste Parise, Xavière Iltis, Guy Antou
Published in: Journal of the European Ceramic Society, 2020, ISSN 0955-2219
Publisher: Elsevier BV
DOI: 10.1016/j.jeurceramsoc.2020.09.005

Simulation of the chemical state of high burnup (U,Pu)O2

Author(s): Karl Samuelsson, Jean-Christophe Dumas, Bo Sundman, Jérôme Lamontagne, Christine Guéneau
Published in: Journal of Nuclear Materials, Issue 532, 2020, ISSN 0022-3115
Publisher: Elsevier BV
DOI: 10.1016/j.jnucmat.2019.151969

Radiation effects in alpha-doped UO2

Author(s): E. De Bona, A. Benedetti, O. Dieste, D. Staicu, T. Wiss, R.J.M. Konings
Published in: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Issue 468, 2020, Page(s) 54-59, ISSN 0168-583X
Publisher: Elsevier BV
DOI: 10.1016/j.nimb.2020.01.024

First-principles investigation of the bulk properties of americium dioxide and sesquioxides

Author(s): Martin Stéphane, Talla Noutack
Published in: Physical review Materials, 2019, ISSN 2475-9953
Publisher: American Physical Society
DOI: 10.1103/physrevmaterials.3.035001

A model describing intra-granular fission gas behaviour in oxide fuel for advanced engineering tools

Author(s): D. Pizzocri, G. Pastore, T. Barani, A. Magni, L. Luzzi, P. Van Uffelen, S.A. Pitts, A. Alfonsi, J.D. Hales
Published in: Journal of Nuclear Materials, Issue 502, 2018, Page(s) 323-330, ISSN 0022-3115
Publisher: Elsevier BV
DOI: 10.1016/j.jnucmat.2018.02.024

Helium diffusivity in oxide nuclear fuel: Critical data analysis and new correlations

Author(s): L. Luzzi, L. Cognini, D. Pizzocri, T. Barani, G. Pastore, A. Schubert, T. Wiss, P. Van Uffelen
Published in: Nuclear Engineering and Design, Issue 330, 2018, Page(s) 265-271, ISSN 0029-5493
Publisher: Elsevier BV
DOI: 10.1016/j.nucengdes.2018.01.044

Helium solubility in oxide nuclear fuel: Derivation of new correlations for Henry’s constant

Author(s): L. Cognini, D. Pizzocri, T. Barani, P. Van Uffelen, A. Schubert, T. Wiss, L. Luzzi
Published in: Nuclear Engineering and Design, Issue 340, 2018, Page(s) 240-244, ISSN 0029-5493
Publisher: Elsevier BV
DOI: 10.1016/j.nucengdes.2018.09.024

Influence of exogenous xenon atoms on the evolution kinetics of extended defects in polycrystalline UO2 using in situ TEM

Author(s): C. Onofri, C. Sabathier, C. Baumier, C. Bachelet, H. Palancher, B. Warot-Fonrose, M. Legros
Published in: Journal of Nuclear Materials, Issue 512, 2018, Page(s) 297-306, ISSN 0022-3115
Publisher: Elsevier BV
DOI: 10.1016/j.jnucmat.2018.10.025

Electronic Structure Investigation of the Bulk Properties of Uranium–Plutonium Mixed Oxides (U, Pu)O 2

Author(s): Ibrahim Cheik Njifon, Marjorie Bertolus, Roland Hayn, Michel Freyss
Published in: Inorganic Chemistry, Issue 57/17, 2018, Page(s) 10974-10983, ISSN 0020-1669
Publisher: American Chemical Society
DOI: 10.1021/acs.inorgchem.8b01561

Damage characterization of (U,Pu)O2 under irradiation by molecular dynamics simulations

Author(s): Hector Balboa, Laurent Van Brutzel, Alain Chartier, Yann Le Bouar
Published in: Journal of Nuclear Materials, Issue 512, 2018, Page(s) 440-449, ISSN 0022-3115
Publisher: Elsevier BV
DOI: 10.1016/j.jnucmat.2018.07.056

An effective numerical algorithm for intra-granular fission gas release during non-equilibrium trapping and resolution

Author(s): G. Pastore, D. Pizzocri, C. Rabiti, T. Barani, P. Van Uffelen, L. Luzzi
Published in: Journal of Nuclear Materials, Issue 509, 2018, Page(s) 687-699, ISSN 0022-3115
Publisher: Elsevier BV
DOI: 10.1016/j.jnucmat.2018.07.030

SCIANTIX: A new open source multi-scale code for fission gas behaviour modelling designed for nuclear fuel performance codes

Author(s): D. Pizzocri, T. Barani, L. Luzzi
Published in: Journal of Nuclear Materials, Issue 532, 2020, Page(s) 152042, ISSN 0022-3115
Publisher: Elsevier BV
DOI: 10.1016/j.jnucmat.2020.152042

New insights into the Cs-Mo-O system: experimental studies of the Cs2MoO4-MoO3 pseudo-binary system

Author(s): Anna Smith
Published in: Thermochimica Acta, Issue 696, 2020, ISSN 0040-6031
Publisher: Elsevier BV
DOI: 10.1016/j.tca.2020.178825

Experimental measurements of Xe and Kr releases from UO2 and determination of their migration mechanisms using a new diffusion model

Author(s): M. Gérardin, E. Gilabert, D. Horlait, M-F. Barthe, G. Carlot
Published in: Journal of Nuclear Materials, Issue 556, 2021, ISSN 2352-3409
Publisher: Elsevier BV
DOI: 10.1016/j.dib.2021.107645

Investigation of the solid/liquid phase transitions in the U-Pu-O system

Author(s): P. Fouquet-Métivier, P.M. Martin, D. Manara, K. Dardenne, J. Rothe, P.C.M. Fossati, C. Guéneau
Published in: CALPHAD - Computer Coupling of Phase Diagrams and Thermochemistry, Issue 80, 102523, 2023, ISSN 0364-5916
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.calphad.2022.102523

Modelling and assessment of thermal conductivity and melting behaviour of MOX fuel for fast reactor applications

Author(s): A. Magni; T. Barani; A. Del Nevo; D. Pizzocri; D. Staicu; P. Van Uffelen; Lelio Luzzi
Published in: Journal of Nuclear Materials, Issue 541, 2020, ISSN 0022-3115
Publisher: Elsevier BV
DOI: 10.1016/j.jnucmat.2020.152410

Towards a physics-based description of intra-granular helium behaviour in oxide fuel for application in fuel performance codes

Author(s): L. Cognini, A. Cechet, T. Barani, D. Pizzocri, P. Van Uffelen, L. Luzzi
Published in: Nuclear Engineering and Technology, 2020, ISSN 1738-5733
Publisher: Korean Nuclear Society
DOI: 10.1016/j.net.2020.07.009

Molecular dynamics simulations of microstructural evolution of irradiated (U,Pu)O2 studied via simulated XRD patterns

Author(s): Laurent Van Brutzel, Paul Fossati, Alain Chartier
Published in: Journal of Nuclear Materials, Issue 567, 2022, ISSN 0022-3115
Publisher: Elsevier BV
DOI: 10.1016/j.jnucmat.2022.153834

Effect of cationic chemical disorder on defect formation energies in uranium-plutonium mixed oxides

Author(s): Didier Bathellier, Luca Messina, Michel Freyss, Marjorie Bertolus, Thomas Schuler, Maylise Nastar, Pär Olsson, Emeric Bourasseau
Published in: Journal of Applied Physics, Issue 132, 175103, 2022, ISSN 1089-7550
Publisher: AIP Publishing
DOI: 10.1063/5.0103166

Towards a single European strategic research and innovation agenda on materials for all reactor generations through dedicated projects

Author(s): Lorenzo Malerba; Pietro Agostini; Massimo Angiolini; Marjorie Bertolus
Published in: EPJ Nuclear Sciences & Technologies, Issue 8, 36, 2022, ISSN 2491-9292
Publisher: EDP Sciences
DOI: 10.1051/epjn/2022042

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