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Advances in first-principles modelling of point defects in UO2: f electron correlations and the issue of local energy minima

Journal of physics. Condensed matter, 2013-08, Vol.25 (33), p.333201-333201

2013

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Molecular dynamics simulation of the initial stages of He bubbles formation in silicon

Modelling and simulation in materials science and engineering, 2013-09, Vol.21 (6), p.65002-13

2013

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An environment-dependent interatomic potential for silicon carbide: calculation of bulk properties, high-pressure phases, point and extended defects, and amorphous structures

Journal of physics. Condensed matter, 2010-01, Vol.22 (3), p.035802-035802 (13)

2010

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Assessment of INSPYRE-extended fuel performance codes against the SUPERFACT-1 fast reactor irradiation experiment

Nuclear Engineering and Technology, 2023, 55(3), , pp.884-894

2023

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Atomic scale mobility of the volatile fission products Xe, Kr and I in cubic SiC

Physical chemistry chemical physics : PCCP, 2016-06, Vol.18 (25), p.1692-16911

2016

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Assessment of three European fuel performance codes against the SUPERFACT-1 fast reactor irradiation experiment

Nuclear Engineering and Technology, 2021, 53(10), , pp.3367-3378

2021

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Solution of trivalent cations into uranium dioxide

Journal of nuclear materials, 2012, Vol.420 (1), p.258-261

2012

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Nucleation and growth of intragranular defect and insoluble atom clusters in nuclear oxide fuels

Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 2012-04, Vol.277, p.98-108

2012

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Advances in first-principles modelling of point defects in UO 2 : f electron correlations and the issue of local energy minima

Journal of physics. Condensed matter, 2013-08, Vol.25 (33), p.333201

2013

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Electronic Structure Investigation of the Bulk Properties of Uranium-Plutonium Mixed Oxides (U, Pu)O 2

Inorganic chemistry, 2018-09, Vol.57 (17), p.10974-10983

2018

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First-principles calculations of momentum distributions of annihilating electron-positron pairs in defects in UO 2

Journal of physics. Condensed matter, 2017-01, Vol.29 (3), p.035503

2017

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First-principles calculation and experimental study of oxygen diffusion in uranium dioxide

Physical review. B, Condensed matter and materials physics, 2011-01, Vol.83 (3), Article 035126

2011

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Mechanisms of amorphization-induced swelling in silicon carbide : the molecular dynamics answer

The European physical journal. B, Condensed matter physics, 2007-12, Vol.60 (4), p.423-433

2007

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Electronic structure calculations of positron lifetimes in SiC: Self-consistent schemes and relaxation effect

Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 2014-05, Vol.327, p.63-67

2014

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Fully self-consistent calculations of momentum distributions of annihilating electron-positron pairs in SiC

Physical review. B, 2016-05, Vol.93 (19), Article 195207

2016

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Determination of Krypton Diffusion Coefficients in Uranium Dioxide Using Atomic Scale Calculations

Inorganic chemistry, 2017-01, Vol.56 (1), p.125-137

2017

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Molecular Dynamics as a tool to interpret macroscopic amorphization-induced swelling in silicon carbide

The European physical journal. B, Condensed matter physics, 2006-07, Vol.52 (2), p.163-170

2006

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DFT + U investigation of charged point defects and clusters in UO2

Journal of physics. Condensed matter, 2014-08, Vol.26 (32), p.325501

2014

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Linking atomic and mesoscopic scales for the modelling of the transport properties of uranium dioxide under irradiation

Journal of nuclear materials, 2015-07, Vol.462, p.475-495

2015

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Behavior of fission gases in nuclear fuel: XAS characterization of Kr in UO2

Journal of nuclear materials, 2015-11, Vol.466, p.379-392

2015

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Assessment of INSPYRE-extended fuel performance codes against the SUPERFACT-1 fast reactor irradiation experiment

Nuclear engineering and technology, 2023, Vol.55 (3), p.884-894

2023

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Are lithium hydride clusters purely ionic? Study using model potentials and density-functional theory

The Journal of chemical physics, 2001-09, Vol.115 (9), p.4070-4079

2001

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Advances on GenIV structural and fuel materials and cross-cutting activities between fission and fusion

EPJ nuclear sciences & technologies, 2020-01, Vol.6, p.32

2020

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Assessment of density functional theory for bonds formed between rare gases and open-shell atoms: a computational study of small molecules containing He, Ar, Kr and Xe

Physical chemistry chemical physics : PCCP, 2012-01, Vol.14 (2), p.553-561

2012

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Experimental evidence of Xe incorporation in Schottky defects in UO$_2

Applied physics letters, 2015, Vol.106

2015

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Advances in first-principles modelling of point defects in UO2: f electron correlations and the issue of local energy minima

Molecular dynamics simulation of the initial stages of He bubbles formation in silicon

An environment-dependent interatomic potential for silicon carbide: calculation of bulk properties, high-pressure phases, point and extended defects, and amorphous structures

Assessment of INSPYRE-extended fuel performance codes against the SUPERFACT-1 fast reactor irradiation experiment

Atomic scale mobility of the volatile fission products Xe, Kr and I in cubic SiC

Assessment of three European fuel performance codes against the SUPERFACT-1 fast reactor irradiation experiment

Solution of trivalent cations into uranium dioxide

Nucleation and growth of intragranular defect and insoluble atom clusters in nuclear oxide fuels

Advances in first-principles modelling of point defects in UO 2 : f electron correlations and the issue of local energy minima

Electronic Structure Investigation of the Bulk Properties of Uranium-Plutonium Mixed Oxides (U, Pu)O 2

First-principles calculations of momentum distributions of annihilating electron-positron pairs in defects in UO 2

First-principles calculation and experimental study of oxygen diffusion in uranium dioxide

Mechanisms of amorphization-induced swelling in silicon carbide : the molecular dynamics answer

Electronic structure calculations of positron lifetimes in SiC: Self-consistent schemes and relaxation effect

Fully self-consistent calculations of momentum distributions of annihilating electron-positron pairs in SiC

Determination of Krypton Diffusion Coefficients in Uranium Dioxide Using Atomic Scale Calculations

Molecular Dynamics as a tool to interpret macroscopic amorphization-induced swelling in silicon carbide

DFT + U investigation of charged point defects and clusters in UO2

Linking atomic and mesoscopic scales for the modelling of the transport properties of uranium dioxide under irradiation

Behavior of fission gases in nuclear fuel: XAS characterization of Kr in UO2

Assessment of INSPYRE-extended fuel performance codes against the SUPERFACT-1 fast reactor irradiation experiment

Are lithium hydride clusters purely ionic? Study using model potentials and density-functional theory

Advances on GenIV structural and fuel materials and cross-cutting activities between fission and fusion

Assessment of density functional theory for bonds formed between rare gases and open-shell atoms: a computational study of small molecules containing He, Ar, Kr and Xe

Experimental evidence of Xe incorporation in Schottky defects in UO$_2

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