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Paul Fossati

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Systematic approach to thermophysical and mechanical properties of SiO₂–B₂O₃–Na₂O glasses using molecular dynamics simulations

Michel Mama Toulou , Paul C.M. Fossati , Cindy Lynn Rountree
Journal of Non-Crystalline Solids, 2023, 603, pp.122099. ⟨10.1016/j.jnoncrysol.2022.122099⟩
Journal articles hal-04085503v1

Molecular dynamics simulations of microstructural evolution of irradiated (U,Pu)O2 studied via simulated XRD patterns

Alain Chartier , Paul Fossati , Laurent van Brutzel
Journal of Nuclear Materials, 2022, 567, pp.153834. ⟨10.1016/j.jnucmat.2022.153834⟩
Journal articles cea-03714011v1
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Structural Aspects of the Superionic Transition in AX2 Compounds With the Fluorite Structure

Paul Fossati , Alain Chartier , Alexandre Boulle
Frontiers in Chemistry, 2021, 9, pp.723507. ⟨10.3389/fchem.2021.723507⟩
Journal articles hal-03385662v1

Atomistic modeling approach to the thermodynamics of sodium silicate glasses

Paul C. M. Fossati , Thomas Mellan , Navaratnarajah Kuganathan , William E. Lee
Journal of the American Ceramic Society, 2021, 104 (3), pp.1331-1344. ⟨10.1111/jace.17549⟩
Journal articles hal-03551489v1
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Stress Corrosion Cracking in Amorphous Phase Separated Oxide Glasses: A Holistic Review of Their Structures, Physical, Mechanical and Fracture Properties

Weiying Feng , Daniel Bonamy , Fabrice Célarié , Paul C. M. Fossati , Stéphane Gossé
Corrosion and Materials Degradation, 2021, 2 (3), pp.412. ⟨10.3390/cmd2030022⟩
Journal articles hal-03286909v1

Thermal footprint of a geological disposal facility containing EURO-GANEX wasteforms

Yun-Hao Hsieh , Michael J. D. Rushton , Paul C. M. Fossati , William E. Lee
Progress in Nuclear Energy, 2020, 118, pp.103065. ⟨10.1016/j.pnucene.2019.103065⟩
Journal articles hal-03551389v1

Using molecular dynamics to predict the solidus and liquidus of mixed oxides ( Th , U ) O 2 , ( Th , Pu ) O 2 and ( Pu , U ) O 2

Conor O. T. Galvin , Patrick A. Burr , Michael W. D. Cooper , Paul C. M. Fossati , Robin W. Grimes
Journal of Nuclear Materials, 2020, 534, pp.152127. ⟨10.1016/j.jnucmat.2020.152127⟩
Journal articles hal-03551478v1

Dinitrogen activation by zirconium dimer loaded C 60

Navaratnarajah Kuganathan , Paul C. M. Fossati , Evangelos Gkanas , Alexander Chroneos
AIP Advances, 2019, 9 (5), pp.055331. ⟨10.1063/1.5106430⟩
Journal articles hal-03551374v1
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Visualization of ultrafast melting initiated from radiation-driven defects in solids

Mianzhen Mo , Samuel T. Murphy , Zhijiang Chen , Paul C. M. Fossati , Renkai Li
Science Advances , 2019, 5 (5), ⟨10.1126/sciadv.aaw0392⟩
Journal articles hal-03551365v1

Density functional theory study of the magnetic moment of solute Mn in bcc Fe

Daniel J. M. King , Simon C. Middleburgh , Patrick A. Burr , T. Whiting , Paul C. M. Fossati
Physical Review B, 2018, 98 (2), pp.024418. ⟨10.1103/PhysRevB.98.024418⟩
Journal articles hal-03551347v1

Degradation of partially immersed glass: A new perspective

Rama Krishna Chinnam , Paul C. M. Fossati , William E. Lee
Journal of Nuclear Materials, 2018, 503, pp.56-65. ⟨10.1016/j.jnucmat.2018.02.040⟩
Journal articles hal-03550947v1

Atomic-scale description of interfaces in rutile/sodium silicate glass–crystal composites

Paul C. M. Fossati , Michael J. D. Rushton , William E. Lee
Physical Chemistry Chemical Physics, 2018, 20 (26), pp.17624-17636. ⟨10.1039/C8CP00675J⟩
Journal articles hal-03551328v1

Cation ordering and oxygen transport behaviour in Sr 1−3x/2 La x TiO 3 perovskites

Paul C. M. Fossati , Robin W. Grimes
Journal of Materials Chemistry A, 2017, 5 (11), pp.5321-5331. ⟨10.1039/C6TA10274C⟩
Journal articles hal-03551248v1

Empirical potential simulations of interstitial dislocation loops in uranium dioxide

Arno Le Prioux , Paul Fossati , Serge Maillard , Thomas Jourdan , Philippe Maugis
Journal of Nuclear Materials, 2016, 479, pp.576-584. ⟨10.1016/j.jnucmat.2016.07.046⟩
Journal articles hal-01435100v1

Pipe and grain boundary diffusion of He in UO 2

Conor O. T. Galvin , Michael W. D. Cooper , Paul C. M. Fossati , Christopher R. Stanek , Robin W. Grimes
Journal of Physics: Condensed Matter, 2016, 28 (40), pp.405002. ⟨10.1088/0953-8984/28/40/405002⟩
Journal articles hal-03551231v1

Simulations of threshold displacement in beryllium

Matthew Jackson , Paul C. M. Fossati , Robin Grimes
Journal of Applied Physics, 2016, 120 (4), pp.045903. ⟨10.1063/1.4958974⟩
Journal articles hal-03551215v1

Xe diffusion and bubble nucleation around edge dislocations in UO2

Samuel T. Murphy , Paul C. M. Fossati , Robin W. Grimes
Journal of Nuclear Materials, 2015, 466, pp.634-637. ⟨10.1016/j.jnucmat.2015.09.007⟩
Journal articles hal-03550944v1
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Linking atomic and mesoscopic scales for the modelling of the transport properties of uranium dioxide under irradiation

M. Bertolus , Michel Freyss , Boris Dorado , Kiet Hoang , Serge Maillard
Journal of Nuclear Materials, 2015, 462, pp.475-495. ⟨10.1016/j.jnucmat.2015.02.026⟩
Journal articles cea-02066505v1

Thermophysical and anion diffusion properties of (U x ,Th 1− x )O 2

Michael W. D. Cooper , Samuel T. Murphy , Paul C. M. Fossati , Michael J. D. Rushton , Robin W. Grimes
Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 2014, 470 (2171), pp.20140427. ⟨10.1098/rspa.2014.0427⟩
Journal articles hal-03550940v1

Prediction and characterisation of radiation damage in fluorapatite

Eleanor E. Jay , Paul C. M. Fossati , Michael J. D. Rushton , Robin W. Grimes
Journal of Materials Chemistry A, 2014, 3 (3), pp.1164-1173. ⟨10.1039/c4ta01707b⟩
Journal articles hal-03550951v1

Molecular dynamics simulation of dislocations in uranium dioxide

Paul Fossati , Laurent van Brutzel , Benoit Devincre
Journal of Nuclear Materials, 2013, 443 (1-3), pp.359 - 365. ⟨10.1016/j.jnucmat.2013.07.059⟩
Journal articles hal-01735989v1

Simulation of uranium dioxide polymorphs and their phase transitions

Paul C. M. Fossati , Laurent van Brutzel , Alain Chartier , Jean-Paul Crocombette
Physical Review B, 2013, 88 (21), pp.214112. ⟨10.1103/PhysRevB.88.214112⟩
Journal articles hal-03550946v1