Point defects in uranium dioxide: Ab initio pseudopotential approach in the generalized gradient approximation M Freyss, T Petit, JP Crocombette
Journal of nuclear materials 347 (1-2), 44-51, 2005
183 2005 Irradiation-Induced Formation of Nanocrystallites with MC Marinica, F Willaime, JP Crocombette
Physical review letters 108 (2), 025501, 2012
162 2012 Ab initio determination of electrical and thermal conductivity of liquid aluminumV Recoules, JP Crocombette
Physical Review B—Condensed Matter and Materials Physics 72 (10), 104202, 2005
137 2005 Ab initio energetics of some fission products (Kr, I, Cs, Sr and He) in uranium dioxide JP Crocombette
Journal of nuclear materials 305 (1), 29-36, 2002
126 2002 Atomistic modeling of displacement cascades in La 2 Zr 2 O 7 pyrochlore A Chartier, C Meis, JP Crocombette, LR Corrales, WJ Weber
Physical Review B 67 (17), 174102, 2003
122 2003 Charge states of point defects in uranium oxide calculated with a local hybrid functional for correlated electrons JP Crocombette, D Torumba, A Chartier
Physical Review B—Condensed Matter and Materials Physics 83 (18), 184107, 2011
101 2011 Hybrid functional for correlated electrons in the projector augmented-wave formalism: Study of multiple minima for actinide oxides F Jollet, G Jomard, B Amadon, JP Crocombette, D Torumba
Physical Review B—Condensed Matter and Materials Physics 80 (23), 235109, 2009
99 2009 Molecular dynamic simulation of disorder induced amorphization in pyrochlore A Chartier, C Meis, JP Crocombette, WJ Weber, LR Corrales
Physical review letters 94 (2), 025505, 2005
98 2005 Key role of the cation interstitial structure in the radiation resistance of pyrochlores A Chartier, G Catillon, JP Crocombette
Physical review letters 102 (15), 155503, 2009
89 2009 Effect of disorder on the metal-insulator transition of vanadium oxides: Local versus global effects JG Ramirez, T Saerbeck, S Wang, J Trastoy, M Malnou, J Lesueur, ...
Physical Review B 91 (20), 205123, 2015
82 2015 Study of self-limiting oxidation of silicon nanoclusters by atomistic simulations J Dalla Torre, JL Bocquet, Y Limoge, JP Crocombette, E Adam, G Martin, ...
Journal of Applied Physics 92 (2), 1084-1094, 2002
81 2002 Neutral self-defects in a silica model: A first-principles study L Martin-Samos, Y Limoge, JP Crocombette, G Roma, N Richard, ...
Physical Review B—Condensed Matter and Materials Physics 71 (1), 014116, 2005
79 2005 Quick calculation of damage for ion irradiation: implementation in Iradina and comparisons to SRIM JP Crocombette, C Van Wambeke
EPJ N-Nuclear Sciences & Technologies 5, 7, 2019
78 2019 Molecular dynamics modeling of irradiation damage in pure and uranium-doped zircon JP Crocombette, D Ghaleb
Journal of Nuclear Materials 295 (2-3), 167-178, 2001
76 2001 Multiscale modeling of the thermal conductivity of polycrystalline silicon carbide JP Crocombette, L Gelebart
Journal of Applied Physics 106 (8), 2009
74 2009 Influence of charge states on energies of point defects and clusters in uranium dioxide JP Crocombette
Physical Review B—Condensed Matter and Materials Physics 85 (14), 144101, 2012
73 2012 Basic mechanisms of Frenkel pair recombinations in L Van Brutzel, A Chartier, JP Crocombette
Physical Review B—Condensed Matter and Materials Physics 78 (2), 024111, 2008
72 2008 Modeling the structure of zircon (ZrSiO4): Empirical potentials, ab initio electronic structure JP Crocombette, D Ghaleb
Journal of Nuclear Materials 257 (3), 282-286, 1998
72 1998 Thermal conductivity degradation induced by point defects in irradiated silicon carbide JP Crocombette, L Proville
Applied Physics Letters 98 (19), 2011
63 2011 Atomistic simulation of point defects behavior in ceria A Guglielmetti, A Chartier, L van Brutzel, JP Crocombette, K Yasuda, ...
Nuclear Instruments and Methods in Physics Research Section B: Beam …, 2008
61 2008 