B Dorado, B Amadon, M Freyss, M Bertolus
Physical Review B—Condensed Matter and Materials Physics 79 (23), 235125, 2009
458 2009 Stability of oxygen point defects in B Dorado, G Jomard, M Freyss, M Bertolus
Physical Review B—Condensed Matter and Materials Physics 82 (3), 035114, 2010
250 2010 First-principles calculation and experimental study of oxygen diffusion in uranium dioxide B Dorado, P Garcia, G Carlot, C Davoisne, M Fraczkiewicz, B Pasquet, ...
Physical Review B—Condensed Matter and Materials Physics 83 (3), 035126, 2011
163 2011 First-principles calculations of uranium diffusion in uranium dioxide B Dorado, DA Andersson, CR Stanek, M Bertolus, BP Uberuaga, G Martin, ...
Physical Review B—Condensed Matter and Materials Physics 86 (3), 035110, 2012
126 2012 Advances in first-principles modelling of point defects in UO2: f electron correlations and the issue of local energy minima B Dorado, M Freyss, B Amadon, M Bertolus, G Jomard, P Garcia
Journal of Physics: Condensed Matter 25 (33), 333201, 2013
119 2013 DFT+ U investigation of charged point defects and clusters in UO2 E Vathonne, J Wiktor, M Freyss, G Jomard, M Bertolus
Journal of Physics: Condensed Matter 26 (32), 325501, 2014
98 2014 An environment-dependent interatomic potential for silicon carbide: calculation of bulkproperties, high-pressure phases, point and extended defects, and amorphousstructures G Lucas, M Bertolus, L Pizzagalli
Journal of Physics: Condensed Matter 22 (3), 035802, 2009
61 2009 Investigating bonding in small silicon–carbon clusters: Exploration of the potential energy surfaces of ab initio molecular dynamics M Bertolus, F Finocchi, P Millié
The Journal of chemical physics 120 (9), 4333-4343, 2004
59 2004 Nucleation and growth of intragranular defect and insoluble atom clusters in nuclear oxide fuels P Garcia, G Martin, C Sabathier, G Carlot, A Michel, P Martin, B Dorado, ...
Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2012
57 2012 Solution of trivalent cations into uranium dioxide SC Middleburgh, DC Parfitt, RW Grimes, B Dorado, M Bertolus, PR Blair, ...
Journal of Nuclear Materials 420 (1-3), 258-261, 2012
54 2012 Coupled experimental and J Wiktor, MF Barthe, G Jomard, M Torrent, M Freyss, M Bertolus
Physical Review B 90 (18), 184101, 2014
52 2014 An atomistic approach to self-diffusion in uranium dioxide B Dorado, J Durinck, P Garcia, M Freyss, M Bertolus
Journal of Nuclear Materials 400 (2), 103-106, 2010
50 2010 Linking atomic and mesoscopic scales for the modelling of the transport properties of uranium dioxide under irradiation M Bertolus, M Freyss, B Dorado, G Martin, K Hoang, S Maillard, R Skorek, ...
Journal of Nuclear Materials 462, 475-495, 2015
49 2015 Determination of krypton diffusion coefficients in uranium dioxide using atomic scale calculations E Vathonne, DA Andersson, M Freyss, R Perriot, MWD Cooper, ...
Inorganic Chemistry 56 (1), 125-137, 2017
47 2017 Experimental evidence of Xe incorporation in Schottky defects in UO2 R Bes, P Martin, E Vathonne, R Delorme, C Sabathier, M Freyss, ...
Applied Physics Letters 106 (11), 2015
45 2015 Positron annihilation spectroscopy investigation of vacancy clusters in silicon carbide: Combining experiments and electronic structure calculations J Wiktor, X Kerbiriou, G Jomard, S Esnouf, MF Barthe, M Bertolus
Physical Review B 89 (15), 155203, 2014
42 2014 Electronic structure investigation of energetics and positron lifetimes of fully relaxed monovacancies with various charge states in 3 J Wiktor, G Jomard, M Torrent, M Bertolus
Physical Review B—Condensed Matter and Materials Physics 87 (23), 235207, 2013
40 2013 Behavior of fission gases in nuclear fuel: XAS characterization of Kr in UO2 PM Martin, E Vathonne, G Carlot, R Delorme, C Sabathier, M Freyss, ...
Journal of Nuclear Materials 466, 379-392, 2015
36 2015 Molecular dynamics simulation of the initial stages of He bubbles formation in silicon L Pizzagalli, ML David, M Bertolus
Modelling and Simulation in Materials Science and Engineering 21 (6), 065002, 2013
36 2013 Electronic Structure Investigation of the Bulk Properties of Uranium–Plutonium Mixed Oxides (U, Pu)O2 IC Njifon, M Bertolus, R Hayn, M Freyss
Inorganic chemistry 57 (17), 10974-10983, 2018
35 2018 
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