Recent developments in the ABINIT software package X Gonze, F Jollet, FA Araujo, D Adams, B Amadon, T Applencourt, ... Computer Physics Communications 205, 106-131, 2016 | 799 | 2016 |
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 | 442 | 2009 |
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 82 (3), 035114, 2010 | 234 | 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 83 (3), 035126, 2011 | 156 | 2011 |
Atomistic modeling of intrinsic and radiation-enhanced fission gas (Xe) diffusion in UO2±x: Implications for nuclear fuel performance modeling DA Andersson, P Garcia, XY Liu, G Pastore, M Tonks, P Millett, B Dorado, ... Journal of Nuclear Materials 451 (1-3), 225-242, 2014 | 126 | 2014 |
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 | 121 | 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 | 108 | 2013 |
Irradiation-induced heterogeneous nucleation in uranium dioxide G Martin, P Garcia, C Sabathier, L Van Brutzel, B Dorado, F Garrido, ... Physics Letters A 374 (30), 3038-3041, 2010 | 103 | 2010 |
GGA+ U study of the incorporation of iodine in uranium dioxide B Dorado, M Freyss, G Martin The European Physical Journal B 69 (2), 203-209, 2009 | 91 | 2009 |
First-principles DFT modeling of actinide-based alloys: Application to paramagnetic phases of UO and (U,Pu) mixed oxides B Dorado, P Garcia Physical Review B 87 (19), 195139, 2013 | 73 | 2013 |
A molecular dynamics study of radiation induced diffusion in uranium dioxide G Martin, S Maillard, L Van Brutzel, P Garcia, B Dorado, C Valot Journal of Nuclear Materials 385 (2), 351-357, 2009 | 62 | 2009 |
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 |
Effect of the cascade energy on defect production in uranium dioxide G Martin, P Garcia, L Van Brutzel, B Dorado, S Maillard Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2011 | 57 | 2011 |
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 | 55 | 2012 |
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 | 49 | 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 | 41 | 2015 |
Consistent treatment of charged systems within periodic boundary conditions: The projector augmented-wave and pseudopotential methods revisited F Bruneval, JP Crocombette, X Gonze, B Dorado, M Torrent, F Jollet Physical Review B 89 (4), 045116, 2014 | 32 | 2014 |
Phonon spectra of plutonium at high temperatures B Dorado, F Bottin, J Bouchet Physical Review B 95 (10), 104303, 2017 | 30 | 2017 |
A defect model for UO2+ x based on electrical conductivity and deviation from stoichiometry measurements P Garcia, E Pizzi, B Dorado, D Andersson, JP Crocombette, C Martial, ... Journal of Nuclear Materials 494, 461-472, 2017 | 22 | 2017 |
A unified and efficient theory for the structural properties of actinides and phases of plutonium B Amadon, B Dorado Journal of Physics: Condensed Matter 30 (40), 405603, 2018 | 19 | 2018 |