Marjorie Bertolus
Marjorie Bertolus
CEA, DEs
Verified email at cea.fr
Title
Cited by
Cited by
Year
DFT+ U calculations of the ground state and metastable states of uranium dioxide
B Dorado, B Amadon, M Freyss, M Bertolus
Physical Review B 79 (23), 235125, 2009
3542009
Stability of oxygen point defects in UO 2 by first-principles DFT+ U calculations: Occupation matrix control and Jahn-Teller distortion
B Dorado, G Jomard, M Freyss, M Bertolus
Physical Review B 82 (3), 035114, 2010
1932010
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 83 (3), 035126, 2011
1292011
First-principles calculations of uranium diffusion in uranium dioxide
B Dorado, DA Andersson, CR Stanek, M Bertolus, BP Uberuaga, G Martin, ...
Physical Review B 86 (3), 035110, 2012
892012
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
862013
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
632014
Investigating bonding in small silicon–carbon clusters: Exploration of the potential energy surfaces of and using ab initio molecular dynamics
M Bertolus, F Finocchi, P Millié
The Journal of chemical physics 120 (9), 4333-4343, 2004
492004
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
482012
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
412012
Coupled experimental and DFT+ U investigation of positron lifetimes in UO 2
J Wiktor, MF Barthe, G Jomard, M Torrent, M Freyss, M Bertolus
Physical Review B 90 (18), 184101, 2014
362014
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
362010
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
352014
An environment-dependent interatomic potential for silicon carbide: calculation of bulk properties, high-pressure phases, point and extended defects, and amorphous structures
G Lucas, M Bertolus, L Pizzagalli
Journal of Physics: Condensed Matter 22 (3), 035802, 2009
352009
Can we rationalize the structure of small silicon-carbon clusters?
M Bertolus, V Brenner, P Millié
The European Physical Journal D-Atomic, Molecular, Optical and Plasma …, 1998
351998
Electronic structure investigation of energetics and positron lifetimes of fully relaxed monovacancies with various charge states in 3 C-SiC and 6 H-SiC
J Wiktor, G Jomard, M Torrent, M Bertolus
Physical Review B 87 (23), 235207, 2013
312013
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
282013
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
262017
Experimental evidence of Xe incorporation in Schottky defects in UO2
R Bès, P Martin, E Vathonne, R Delorme, C Sabathier, M Freyss, ...
Applied Physics Letters 106 (11), 114102, 2015
262015
Monte Carlo growth method: application to molecular clusters
M Bertolus, V Brenner, P Millié, JB Maillet
Zeitschrift für Physik D Atoms, Molecules and Clusters 39 (3), 239-250, 1997
261997
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
252015
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Articles 1–20