, Nucl. Eng. Des, vol.241, p.3521, 2011.
, , 2013.
Experimental investigations of irradiation induced diffusion of He and I in UO 2 , F-BRIDGE Deliverable D-111, 2013. ,
, Nucl. Instrum. Methods Res. B, vol.277, p.98, 2012.
, J. Mater. Sci, vol.47, p.7367, 2012.
, J. Phys.: Condens. Matter, vol.25, p.333201, 2013.
, J. Nucl. Mater, vol.366, p.161, 2007.
, J. Nucl. Mater, vol.376, p.66, 2008.
, Energy Environ. Sci, vol.3, p.1406, 2010.
Application of mesoscale approaches to the diffusion processes in UO 2 , F-BRIDGE Deliverable D-225, 2012. ,
, Defect Diffus. Forum, vol.323, p.209, 2012.
Solid State Phenom, vol.129, p.51, 2007. ,
, Nucl. Eng. Des, vol.241, p.2099, 2011.
, Phys. Lett. A, vol.374, p.3038, 2010.
, Phys. Rev, vol.109, p.605, 1958.
, Proc. Phys. Soc, vol.73, p.250, 1959.
, J. Comput. Phys, vol.17, p.10, 1975.
, J. Comput. Phys, vol.22, p.403, 1976.
, J. Phys. Chem, vol.81, p.2340, 1977.
Introduction to the kinetic Monte Carlo method, Radiation Effects in Solids, 2005. ,
, Phys. Rev. B, vol.41, p.2279, 1990.
Kinetic Monte Carlo method to model diffusion controlled phase transformations in the solid state, Handbook of Materials Modeling, 2005. ,
, J. Nucl. Mater, vol.392, p.386, 2009.
, J. Nucl. Mater, vol.360, p.159, 2007.
, J. Mech. Phys. Solids, vol.53, p.1223, 2005.
, Philos. Mag, vol.85, p.549, 2005.
, Phys. Rev. B, vol.80, p.60101, 2009.
, J. Nucl. Mater, vol.30, p.16, 1969.
, J. Nucl. Mater, vol.42, p.54, 1972.
, Electronic Structure: Basic Theory and Practical Methods, 2004.
, Molecular Mechanics, ACS Monographs, 1982.
Development and assessment of atomistic modelling methods for the investigation of fuel materials under operational conditions, F-BRIDGE Deliverable D-221, 2010. ,
, Phys. Chem. Chem. Phys, vol.14, p.553, 2012.
, Nucl. Inst. Methods B, vol.274, p.195, 2012.
, Phys. Rev. B, vol.79, p.235125, 2009.
, Phys. Rev. B, vol.84, p.96101, 2011.
, Phys. Rev. B, vol.82, p.35114, 2010.
, Prog. Theor. Phys, vol.108, p.131, 1992.
Etude des propriétés de transport atomique dans le dioxyde d'uranium par le calcul de structure électronique : influence des fortes corrélations, 2010. ,
, J. Nucl. Mater, vol.384, p.61, 2009.
, Phys. Rev. B, vol.85, p.144101, 2012.
, J. Phys.: Condens. Matter, vol.26, p.325501, 2014.
, J. Nucl. Mater, vol.400, p.103, 2010.
, Phys. Rev. B, vol.83, p.35126, 2011.
, Phys. Rev. B, vol.86, p.35110, 2012.
, J. Chem. Phys, vol.113, p.9978, 2000.
, Proc. Natl. Acad. Sci, vol.99, p.12562, 2002.
, Phys. Rev. Lett, vol.90, p.238302, 2003.
, CP2K developers group, 2000.
, Philos. Mag, vol.83, p.1533, 2003.
, J. Nucl. Mater, vol.341, p.25, 2005.
, J. Nucl. Mater, vol.392, p.114, 2009.
Empirical potential investigation of transport properties in polycrystalline UO 2 and in the presence of extended defects, F-BRIDGE Deliverable D-223, 2012. ,
, J. Nucl. Mater, vol.377, p.522, 2008.
, J. Nucl. Mater, vol.257, p.180, 1998.
, J. Nucl. Mater, vol.278, p.364, 2000.
, Phys. Rev. B, vol.85, p.184103, 2012.
, J. Phys.: Condens. Matter, vol.22, p.175004, 2010.
, Acta Metall, vol.36, p.1073, 1988.
, Nucl. Inst. Methods B, vol.268, p.2915, 2010.
, Nucl. Instrum. Methods B, vol.267, p.3013, 2009.
, J. Nucl. Mater, vol.385, p.351, 2009.
, Phys. Rev. B, vol.84, p.134111, 2011.
, J. Nucl. Mater, vol.170, 2011.
, Phys. Rev. B, vol.85, p.144102, 2012.
, Phys. Rev. B, vol.81, p.174111, 2010.
, J. Nucl. Mater, vol.389, p.119, 2009.
, J. Nucl. Mater, vol.395, p.131, 2009.
, J. Alloys Compd, vol.360, p.210, 2003.
, J. Nucl. Mater, vol.405, p.252, 2010.
, Forum, vol.323, p.215, 2012.
, Phys. Rev. B, vol.84, p.174105, 2011.
, J. Nucl. Mater, vol.25, p.227, 1968.
, J. Nucl. Mater, vol.41, p.87, 1971.
, J. Nucl. Mater, vol.381, p.216, 2008.
, J. Nucl. Mater, vol.392, p.28, 2009.
, J. Nucl. Mater, vol.420, p.282, 2012.
, Phys. Rev. B, vol.84, p.54105, 2011.
, Rev. Mod. Phys, vol.68, p.13, 1996.
, J. Phys.: Condens. Matter, vol.25, p.125403, 2013.
, J. Phys.: Condens. Matter, vol.25, p.505401, 2013.
, J. Phys.: Condens. Matter, vol.26, p.105401, 2014.
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. ,
, J. Nucl. Mater, vol.451, p.225, 2014.
, Solid State Ionics, vol.266, p.68, 2014.
, Phys. Rev. B, vol.88, p.104107, 2013.
, Phys. Rev. B, vol.84, p.14116, 2011.
, J. Nucl. Mater, vol.433, p.297, 2013.
, J. Phys.: Condens. Matter, vol.26, p.495401, 2014.
, Phys. Rev. Lett, vol.110, p.157401, 2013.
, J. Nucl. Mater, vol.434, p.203, 2013.
, Contribution à l'étude des propriétés mécaniques du combustible nucléaire : Modélisation atomistique de la déformation du dioxyde d'uranium, 2012.
, J. Nucl. Mater, vol.448, p.53, 2014.
, J. Nucl. Mater, vol.443, p.359, 2013.
, Phys. Rev. B, vol.81, p.14101, 2010.
, J. Phys.: Condens. Matter, vol.19, p.106208, 2007.
, Phys. Chem. Chem. Phys, vol.14, p.4482, 2012.
, J. Nucl. Mater, vol.422, p.137, 2012.
, J. Nucl. Mater, vol.438, p.7, 2013.
, J. Nucl. Mater, vol.452, p.578, 2014.
, J. Nucl. Mater, vol.441, p.240, 2013.