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 Laves Phase Structure in bcc Iron MC Marinica, F Willaime, JP Crocombette Physical review letters 108 (2), 025501, 2012 | 153 | 2012 |
Ab initio determination of electrical and thermal conductivity of liquid aluminum V Recoules, JP Crocombette Physical Review B 72 (10), 104202, 2005 | 133 | 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 | 118 | 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 83 (18), 184107, 2011 | 98 | 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 80 (23), 235109, 2009 | 98 | 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 | 95 | 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 | 87 | 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 | 79 | 2015 |
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 71 (1), 014116, 2005 | 79 | 2005 |
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 | 79 | 2002 |
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 | 72 | 2009 |
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 |
Basic mechanisms of Frenkel pair recombinations in UO 2 fluorite structure calculated by molecular dynamics simulations L Van Brutzel, A Chartier, JP Crocombette Physical Review B 78 (2), 024111, 2008 | 69 | 2008 |
Influence of charge states on energies of point defects and clusters in uranium dioxide JP Crocombette Physical Review B 85 (14), 144101, 2012 | 66 | 2012 |
Thermal conductivity degradation induced by point defects in irradiated silicon carbide JP Crocombette, L Proville Applied Physics Letters 98 (19), 2011 | 62 | 2011 |
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 | 61 | 2019 |
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 | 60 | 2008 |