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Marjorie Bertolus

29
Documents

Publications

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

Lorenzo Malerba , Pietro Agostini , Massimo Angiolini , Marjorie Bertolus
EPJ N - Nuclear Sciences & Technologies, 2022, 8, pp.36. ⟨10.1051/epjn/2022042⟩
Article dans une revue hal-03899616v1
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Advances on GenIV structural and fuel materials and cross-cutting activities between fission and fusion

Lorenzo Malerba , Pietro Agostini , M. Bertolus , Fabienne Delage , Annelise Gallais-During
EPJ N - Nuclear Sciences & Technologies, 2020, 6, pp.32. ⟨10.1051/epjn/2019021⟩
Article dans une revue cea-02640809v1

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

Ibrahim Cheik Njifon , M. Bertolus , Roland Hayn , Michel Freyss , † Cea
Inorganic Chemistry, 2018, 57 (17), pp.10974-10983. ⟨10.1021/acs.inorgchem.8b01561⟩
Article dans une revue cea-02063607v1
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First-principles calculations of momentum distributions of annihilating electron-positron pairs in defects in UO$_2$

Julia Wiktor , Gérald Jomard , Marc Torrent , M. Bertolus
Journal of Physics: Condensed Matter, 2017, 29 (3), pp.035503. ⟨10.1088/1361-648X/29/3/035503⟩
Article dans une revue cea-02389430v1
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Atomic scale mobility of the volatile fission products Xe, Kr and I in cubic SiC

M. W. D. Cooper , S. Kelly , M. Bertolus
Physical Chemistry Chemical Physics, 2016, 18 (25), pp.16902-16911. ⟨10.1039/c6cp01567k⟩
Article dans une revue cea-02382416v1

Fully self-consistent calculations of momentum distributions of annihilating electron-positron pairs in SiC

Julia Wiktor , Gérald Jomard , Marc Torrent , Marie-France Barthe , M. Bertolus
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2016, 93 (19), ⟨10.1103/PhysRevB.93.195207⟩
Article dans une revue hal-01898801v1

Determination of Krypton Diffusion Coefficients in Uranium Dioxide Using Atomic Scale Calculations

Emerson Vathonne , David A. Andersson , Michel Freyss , Romain Perriot , Michael W D Cooper
Inorganic Chemistry, 2016, 56 (1), pp.125-137. ⟨10.1021/acs.inorgchem.6b01560⟩
Article dans une revue cea-02063626v1
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Behavior of fission gases in nuclear fuel: XAS characterization of Kr in UO$_2$

P.M. Martin , E. Vathonne , G. Carlot , R. Delorme , C. Sabathier
Journal of Nuclear Materials, 2015, 466, pp.379-392. ⟨10.1016/j.jnucmat.2015.08.019⟩
Article dans une revue cea-02066509v1
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Linking atomic and mesoscopic scales for the modelling of the transport properties of uranium dioxide under irradiation

M. Bertolus , Michel Freyss , Boris Dorado , Kiet Hoang , Serge Maillard
Journal of Nuclear Materials, 2015, 462, pp.475-495. ⟨10.1016/j.jnucmat.2015.02.026⟩
Article dans une revue cea-02066505v1
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Experimental evidence of Xe incorporation in Schottky defects in UO$_2$

René Bes , Philippe Martin , Emerson Vathonne , Rémy Delorme , Catherine Sabathier
Applied Physics Letters, 2015, 106, pp.114102. ⟨10.1063/1.2644500UO2⟩
Article dans une revue cea-02066511v1

Behavior of fission gases in nuclear fuel: XAS characterization of Kr in UO2

E. Vathonne , G. Carlot , R. Delorme , C. Sabathier , M. Freyss
Journal of Nuclear Materials, 2015, 466, pp.379-392. ⟨10.1016/j.jnucmat.2015.08.019⟩
Article dans une revue hal-02530523v1

Positron annihilation spectroscopy investigation of vacancy clusters in silicon carbide: Combining experiments and electronic structure calculations

Julia Wiktor , Xavier Kerbiriou , G. Jomard , Stéphane Esnouf , Marie-France Barthe
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2014, 89, pp.155203
Article dans une revue hal-01011912v1
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Coupled experimental and DFT + $U$ investigation of positron lifetimes in UO$_2$

Julia Wiktor , Marie-France Barthe , Gérald Jomard , Marc Torrent , Michel Freyss
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2014, 90, pp.184101. ⟨10.1103/PhysRevB.90.184101⟩
Article dans une revue cea-02066518v1

DFT + U investigation of charged point defects and clusters in UO2

Emerson Vathonne , Julia Wiktor , Michel Freyss , Gérald Jomard , M. Bertolus
Journal of Physics: Condensed Matter, 2014, 26, ⟨10.1088/0953-8984/26/34/349601⟩
Article dans une revue cea-02066524v1

Advances in first-principles modelling of point defects in UO 2 : f electron correlations and the issue of local energy minima

B. Dorado , M. Freyss , B. Amadon , M. Bertolus , G. Jomard
Journal of Physics: Condensed Matter, 2013, 25 (33), pp.333201. ⟨10.1088/0953-8984/25/33/333201⟩
Article dans une revue cea-02066753v1

Assessment of density functional theory for bonds formed between rare gases and open-shell atoms: a computational study of small molecules containing He, Ar, Kr and Xe

M. Bertolus , M. Major , V. Brenner
Physical Chemistry Chemical Physics, 2011, 14 (2), pp.553-561. ⟨10.1039/C1CP22324K⟩
Article dans une revue hal-00679787v1

First-principles calculation and experimental study of oxygen diffusion in uranium dioxide

Boris Dorado , Philippe Garcia , Gaëlle Carlot , C. Davoisne , M. Fraczkiewicz
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2011, pp.035126. ⟨10.1103/PhysRevB.83.035126⟩
Article dans une revue hal-00639167v1

Basic research in support of innovative fuels design for the GEn IV systems: The F-BRIDGE project

C. Valot , M. Bertolus , R. Konings , J. Somers , S. Degroote
Nuclear Engineering and Design, 2011, 241 (9), pp.3521-3529. ⟨10.1016/j.nucengdes.2011.08.021⟩
Article dans une revue hal-02863764v1

Nucleation and growth of intragranular defect and insoluble atom clusters in nuclear oxide fuels

P. Garcia , G. Martin , C. Sabathier , G. Carlot , A. Michel
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2011, 277, pp.98-108. ⟨10.1016/j.nimb.2011.12.031⟩
Article dans une revue in2p3-00658341v1

Molecular Dynamics as a Tool to Interpret Macroscopic Amorphization-Induced Swelling in Silicon Carbide

F. Ribeiro , E. Castelier , M. Bertolus , . Defranceschi M
The European Physical Journal B: Condensed Matter and Complex Systems, 2006, 52, ⟨10.1140/epjb/e2006-00289-3⟩
Article dans une revue cea-02356027v1

Investigating bonding in small silicon–carbon clusters: Exploration of the potential energy surfaces of Si3C4, Si4C3, and Si4C4 using ab initio molecular dynamics

M. Bertolus , Fabio Finocchi , Ph. Millié
Journal of Chemical Physics, 2004, 120 (9), pp.4333. ⟨10.1063/1.1636717⟩
Article dans une revue hal-00005031v1

Are lithium hydride clusters purely ionic ? Study using model potentials and density-functional theory

M. Bertolus , V. Brenner , P. Millie
Journal of Chemical Physics, 2001, 115, pp.4070-4079. ⟨10.1063/1.1389474⟩
Article dans une revue hal-00136546v1
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Atomic scale investigation of the diffusion of defects and fission gases in uranium dioxide

M. Bertolus , E. Vathonne , E. Bourasseau , G. Jomard , M. Freyss
Nufuel 2017 Second Workshop on Research into Nuclear Fuel and cladding in Europe, Sep 2017, Lecco, Italy. 2017
Poster de conférence hal-02417372v1
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Coupled first-principles and experimental positron annihilation study of defects in actinide mixed oxides

Gérald Jomard , I. Cheik Njifon , Ms. Talla-Noutack , M. Freyss , M. Bertolus
ACTINIDES 2017, Jul 2017, Sendai, Japan. ACTINIDES 2017, 2017
Poster de conférence hal-02417746v1
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Modélisation à l'échelle atomique de matériaux nucléaires du cycle du combustible

M. Bertolus
Science des matériaux [cond-mat.mtrl-sci]. Université de la Méditerranée - Aix-Marseille II, 2011
HDR tel-00665253v1