C. Valot, M. Bertolus, R. Konings, J. Somers, and S. De-groot, Nucl. Eng. Des, vol.241, p.3521, 2011.

F. Final, , 2013.

P. Garcia, G. Carlot, G. Martin, C. Sabathier, M. F. Barthe et al., Experimental investigations of irradiation induced diffusion of He and I in UO 2 , F-BRIDGE Deliverable D-111, 2013.

P. Garcia, G. Martin, C. Sabathier, G. Carlot, A. Michel et al., Nucl. Instrum. Methods Res. B, vol.277, p.98, 2012.

X. Liu, D. Andersson, and B. Uberuaga, J. Mater. Sci, vol.47, p.7367, 2012.

B. Dorado, M. Freyss, B. Amadon, M. Bertolus, G. Jomard et al., J. Phys.: Condens. Matter, vol.25, p.333201, 2013.

K. Govers, S. Lemehov, M. Hou, and M. Verwerft, J. Nucl. Mater, vol.366, p.161, 2007.

K. Govers, S. Lemehov, M. Hou, and M. Verwerft, J. Nucl. Mater, vol.376, p.66, 2008.

R. Devanathan, L. Van-brutzel, A. Chartier, C. Guéneau, A. Mattsson et al., Energy Environ. Sci, vol.3, p.1406, 2010.

S. Maillard, R. Skorek, K. Hoang, and M. Bertolus, Application of mesoscale approaches to the diffusion processes in UO 2 , F-BRIDGE Deliverable D-225, 2012.

R. Skorek, S. Maillard, A. Michel, G. Carlot, E. Gilabert et al., Defect Diffus. Forum, vol.323, p.209, 2012.

A. Barbu and E. Clouet, Solid State Phenom, vol.129, p.51, 2007.

L. Noirot, Nucl. Eng. Des, vol.241, p.2099, 2011.

G. Martin, P. Garcia, C. Sabathier, L. Van-brutzel, B. Dorado et al., Phys. Lett. A, vol.374, p.3038, 2010.

E. W. Elcock and C. W. Mccombie, Phys. Rev, vol.109, p.605, 1958.

E. W. Elcock, Proc. Phys. Soc, vol.73, p.250, 1959.

A. B. Bortz, M. H. Kalos, and J. L. Lebowitz, J. Comput. Phys, vol.17, p.10, 1975.

D. Gillespie, J. Comput. Phys, vol.22, p.403, 1976.

D. Gillespie, J. Phys. Chem, vol.81, p.2340, 1977.

A. F. Voter, Introduction to the kinetic Monte Carlo method, Radiation Effects in Solids, 2005.

G. Martin, Phys. Rev. B, vol.41, p.2279, 1990.

G. Martin and F. Soisson, Kinetic Monte Carlo method to model diffusion controlled phase transformations in the solid state, Handbook of Materials Modeling, 2005.

M. Wen, A. Takahashi, and N. M. Ghoniem, J. Nucl. Mater, vol.392, p.386, 2009.

L. Malerba, C. S. Becquart, and C. Domain, J. Nucl. Mater, vol.360, p.159, 2007.

C. S. Deo, D. J. Srolovitz, W. Cai, and V. V. Bulatov, J. Mech. Phys. Solids, vol.53, p.1223, 2005.

J. Dalla-torre, J. Bocquet, N. V. Doan, E. Adam, and A. Barbu, Philos. Mag, vol.85, p.549, 2005.

D. A. Andersson, T. Watanabe, C. Deo, and B. P. Uberuaga, Phys. Rev. B, vol.80, p.60101, 2009.

J. F. Marin and P. Contamin, J. Nucl. Mater, vol.30, p.16, 1969.

P. Contamin, J. Bacmann, and J. Marin, J. Nucl. Mater, vol.42, p.54, 1972.

R. M. Martin, Electronic Structure: Basic Theory and Practical Methods, 2004.

U. Burkert and N. L. Allinger, Molecular Mechanics, ACS Monographs, 1982.

M. Bertolus, M. Freyss, G. Martin, B. Dorado, L. Van-brutzel et al., Development and assessment of atomistic modelling methods for the investigation of fuel materials under operational conditions, F-BRIDGE Deliverable D-221, 2010.

M. Bertolus, M. Major, and V. Brenner, Phys. Chem. Chem. Phys, vol.14, p.553, 2012.

C. L. Bishop, S. T. Murphy, M. J. Rushton, and R. W. Grimes, Nucl. Inst. Methods B, vol.274, p.195, 2012.

B. Dorado, B. Amadon, M. Freyss, and M. Bertolus, Phys. Rev. B, vol.79, p.235125, 2009.

B. Dorado, B. Amadon, G. Jomard, M. Freyss, and M. Bertolus, Phys. Rev. B, vol.84, p.96101, 2011.

B. Dorado, M. Freyss, G. Jomard, and M. Bertolus, Phys. Rev. B, vol.82, p.35114, 2010.

A. Kotani and T. Yamazaki, Prog. Theor. Phys, vol.108, p.131, 1992.

B. Dorado, Etude des propriétés de transport atomique dans le dioxyde d'uranium par le calcul de structure électronique : influence des fortes corrélations, 2010.

P. Nerikar, T. Watanabe, J. S. Tulenko, S. R. Phillpot, and S. B. Sinnott, J. Nucl. Mater, vol.384, p.61, 2009.

J. Crocombette, Phys. Rev. B, vol.85, p.144101, 2012.

E. Vathonne, J. Wiktor, M. Freyss, G. Jomard, and M. Bertolus, J. Phys.: Condens. Matter, vol.26, p.325501, 2014.

B. Dorado, J. Durinck, M. Freyss, M. Bertolus, and P. Garcia, J. Nucl. Mater, vol.400, p.103, 2010.

B. Dorado, P. Garcia, G. Carlot, C. Davoisne, M. Fraczkiewicz et al., Phys. Rev. B, vol.83, p.35126, 2011.

B. Dorado, D. A. Andersson, C. R. Stanek, M. Bertolus, B. P. Uberuaga et al., Phys. Rev. B, vol.86, p.35110, 2012.

G. Henkelman and H. Jonsson, J. Chem. Phys, vol.113, p.9978, 2000.

A. Laio and M. Parrinello, Proc. Natl. Acad. Sci, vol.99, p.12562, 2002.

M. Iannuzzi, A. Laio, and M. Parrinello, Phys. Rev. Lett, vol.90, p.238302, 2003.

, CP2K developers group, 2000.

N. Morelon, D. Ghaleb, J. Delhaye, and L. Van-brutzel, Philos. Mag, vol.83, p.1533, 2003.

C. Meis and A. Chartier, J. Nucl. Mater, vol.341, p.25, 2005.

E. Vincent-aublant, L. Van-brutzel, and J. M. Delaye, J. Nucl. Mater, vol.392, p.114, 2009.

R. Grimes, D. Parfitt, S. Murphy, L. Van-brutzel, and K. Govers, Empirical potential investigation of transport properties in polycrystalline UO 2 and in the presence of extended defects, F-BRIDGE Deliverable D-223, 2012.

L. Van-brutzel and E. Vincent-aublant, J. Nucl. Mater, vol.377, p.522, 2008.

A. C. Sabioni, W. B. Ferraz, and F. Millot, J. Nucl. Mater, vol.257, p.180, 1998.

A. C. Sabioni, W. B. Ferraz, and F. Millot, J. Nucl. Mater, vol.278, p.364, 2000.

F. Devynck, M. Iannuzzi, and M. Krack, Phys. Rev. B, vol.85, p.184103, 2012.

D. C. Parfitt, C. L. Bishop, M. R. Wenman, and R. W. Grimes, J. Phys.: Condens. Matter, vol.22, p.175004, 2010.

R. J. Keller, T. E. Mitchell, and A. H. Heuer, Acta Metall, vol.36, p.1073, 1988.

C. L. Bishop, R. W. Grimes, and D. C. Parfitt, Nucl. Inst. Methods B, vol.268, p.2915, 2010.

L. Van-brutzel and E. Aublant-vincent, Nucl. Instrum. Methods B, vol.267, p.3013, 2009.

G. Martin, S. Maillard, L. Van-brutzel, P. Garcia, B. Dorado et al., J. Nucl. Mater, vol.385, p.351, 2009.

A. E. Thompson and C. Wolverton, Phys. Rev. B, vol.84, p.134111, 2011.

G. Brillant, F. Gupta, and A. Pasturel, J. Nucl. Mater, vol.170, 2011.

S. Murphy, A. Chartier, L. Van-brutzel, and J. P. Crocombette, Phys. Rev. B, vol.85, p.144102, 2012.

A. Chartier, L. Van-brutzel, and M. Freyss, Phys. Rev. B, vol.81, p.174111, 2010.

E. Yakub, C. Ronchi, and D. Staicu, J. Nucl. Mater, vol.389, p.119, 2009.

K. Govers, S. E. Lemehov, M. Hou, and M. Verwerft, J. Nucl. Mater, vol.395, p.131, 2009.

C. Basak, A. Sengupta, and H. Kamath, J. Alloys Compd, vol.360, p.210, 2003.

K. Govers, S. E. Lemehov, and M. Verwerft, J. Nucl. Mater, vol.405, p.252, 2010.

K. Govers, S. E. Lemehov, M. Verwerft, and D. Diffus, Forum, vol.323, p.215, 2012.

P. V. Nerikar, D. C. Parfitt, L. A. Casillas-trujillo, A. A. Andersson, C. Unal et al., Phys. Rev. B, vol.84, p.174105, 2011.

R. S. Nelson, J. Nucl. Mater, vol.25, p.227, 1968.

R. M. Cornell and J. A. Turnbull, J. Nucl. Mater, vol.41, p.87, 1971.

D. C. Parfitt and R. W. Grimes, J. Nucl. Mater, vol.381, p.216, 2008.

D. C. Parfitt and R. W. Grimes, J. Nucl. Mater, vol.392, p.28, 2009.

K. Govers, C. L. Bishop, D. C. Parfitt, S. E. Lemehov, M. Verwerft et al., J. Nucl. Mater, vol.420, p.282, 2012.

D. Andersson, B. Uberuaga, P. Nerikar, C. Unal, and C. Stanek, Phys. Rev. B, vol.84, p.54105, 2011.

A. Georges, G. Kotliar, W. Krauth, and M. J. Rozenberg, Rev. Mod. Phys, vol.68, p.13, 1996.

G. Sattonnay and R. Tétot, J. Phys.: Condens. Matter, vol.25, p.125403, 2013.

Y. Li, T. Liang, S. B. Sinnott, and S. R. Phillpot, J. Phys.: Condens. Matter, vol.25, p.505401, 2013.

M. W. Cooper, M. J. Rushton, and R. W. Grimes, J. Phys.: Condens. Matter, vol.26, p.105401, 2014.

E. Vathonne, Étude par calcul de structure électronique des dégâts d'irradiation dans le combustible nucléaire UO 2 : comportement des défauts ponctuels et gaz de fission, 2014.

D. Andersson, P. Garcia, X. Liu, G. Pastore, M. Tonks et al., J. Nucl. Mater, vol.451, p.225, 2014.

M. W. Cooper, S. C. Middleburgh, and R. W. Grimes, Solid State Ionics, vol.266, p.68, 2014.

B. Wang, P. Zhang, R. Lizárraga, I. D. Marco, and O. Eriksson, Phys. Rev. B, vol.88, p.104107, 2013.

M. Sanati, R. Albers, T. Lookman, and A. Saxena, Phys. Rev. B, vol.84, p.14116, 2011.

S. Nichenko and D. Staicu, J. Nucl. Mater, vol.433, p.297, 2013.

M. J. Qin, M. W. Cooper, E. Y. Kuo, M. J. Rushton, R. W. Grimes et al., J. Phys.: Condens. Matter, vol.26, p.495401, 2014.

J. W. Pang, W. J. Buyers, A. Chernatynskiy, M. D. Lumsden, B. C. Larson et al., Phys. Rev. Lett, vol.110, p.157401, 2013.

B. Deng, A. Chernatynskiy, P. Shukla, S. B. Sinnott, and S. R. Phillpot, J. Nucl. Mater, vol.434, p.203, 2013.

P. Fossati, Contribution à l'étude des propriétés mécaniques du combustible nucléaire : Modélisation atomistique de la déformation du dioxyde d'uranium, 2012.

T. Chiang, A. Chernatynskiy, B. Deng, S. B. Sinnott, and S. R. Phillpot, J. Nucl. Mater, vol.448, p.53, 2014.

P. Fossati, L. Van-brutzel, and B. Devincre, J. Nucl. Mater, vol.443, p.359, 2013.

M. Freyss, Phys. Rev. B, vol.81, p.14101, 2010.

E. A. Kotomin, R. W. Grimes, Y. Mastrikov, and N. J. Ashley, J. Phys.: Condens. Matter, vol.19, p.106208, 2007.

D. Gryaznov, E. Heifets, and E. A. Kotomin, Phys. Chem. Chem. Phys, vol.14, p.4482, 2012.

M. Klipfel and P. Van-uffelen, J. Nucl. Mater, vol.422, p.137, 2012.

M. Pukari, P. Olsson, and N. Sandberg, J. Nucl. Mater, vol.438, p.7, 2013.

B. Baurens, J. Sercombe, C. Riglet-martial, L. Desgranges, L. Trottignon et al., J. Nucl. Mater, vol.452, p.578, 2014.

M. Piro, J. Banfield, K. Clarno, S. Simunovic, T. Besmann et al., J. Nucl. Mater, vol.441, p.240, 2013.