フォロー
Marjorie Bertolus
Marjorie Bertolus
CEA, DEs
確認したメール アドレス: cea.fr
タイトル
引用先
引用先
calculations of the ground state and metastable states of uranium dioxide
B Dorado, B Amadon, M Freyss, M Bertolus
Physical Review B—Condensed Matter and Materials Physics 79 (23), 235125, 2009
4432009
Stability of oxygen point defects in by first-principles calculations: Occupation matrix control and Jahn-Teller distortion
B Dorado, G Jomard, M Freyss, M Bertolus
Physical Review B—Condensed Matter and Materials Physics 82 (3), 035114, 2010
2362010
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
1532011
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
1192012
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
1102013
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
872014
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
582009
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, F Finocchi, P Millié
The Journal of chemical physics 120 (9), 4333-4343, 2004
582004
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
552012
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
542012
Coupled experimental and investigation of positron lifetimes in
J Wiktor, MF Barthe, G Jomard, M Torrent, M Freyss, M Bertolus
Physical Review B 90 (18), 184101, 2014
462014
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
462010
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
422017
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
412015
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
402015
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
392014
Electronic structure investigation of energetics and positron lifetimes of fully relaxed monovacancies with various charge states in 3-SiC and 6-SiC
J Wiktor, G Jomard, M Torrent, M Bertolus
Physical Review B—Condensed Matter and Materials Physics 87 (23), 235207, 2013
362013
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
352013
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
341998
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
332015
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