Paul Fossati

Identifiants chercheurs

IdHAL :

paul-fossati

ORCID :

0000-0001-8230-6422

IdRef :

165944102

ResearcherID :

Q-8355-2019

Publications

Article dans une revue (34)

Comprehensive assessment of empirical potentials for molecular dynamics simulations of chromia Paul Fossati Solid State Ionics, 2025, 420, pp.116781. ⟨10.1016/j.ssi.2024.116781⟩ Article dans une revue cea-04904973v1
On the superionic transition in uranium dioxide : Insights from molecular dynamics and lattice dynamics simulations Paul Fossati,Patrick A. Burr,Michael W. D. Cooper,Conor O. T. Galvin,Robin W. Grimes Physical Review Materials, 2024, 8, pp.115404. ⟨10.1103/PhysRevMaterials.8.115404⟩ Article dans une revue cea-04926123v1
Oxidation of Ni–30Cr Alloy at Low Temperature and Low Oxygen Partial Pressure: Experimental Methods to Improve Kinetics Constants Determination S. Bosonnet,X. Huang,L. Bataillou,L. Martinelli,Paul C M Fossatiet al. High Temperature Corrosion of Materials, 2024, ⟨10.1007/s11085-024-10270-x⟩ Article dans une revue hal-04680433v1
Experimental investigation and thermodynamic assessment of the Cr–Ti system Agustin Flores,Sylvie Chatain,Paul Fossati,Frank Stein,Jean-Marc Joubert Journal of Phase Equilibria and Diffusion, 2024, 45, pp.417-432. ⟨10.1007/s11669-024-01090-2⟩ Article dans une revue hal-04501183v1
Growth mechanism of chromia scales on a model Ni-30Cr alloy at high temperatures Xian Huang,Sophie Bosonnet,Paul C M Fossati,Yves Wouters,Jérôme Aléonet al. Corrosion Science, 2024, 243, ⟨10.1016/j.corsci.2024.112585⟩ Article dans une revue hal-04889585v1
Molecular dynamics simulation dataset for xSiO$_2$-yB$_2$O$_3$-(1-x-y)Na$_2$O glasses Michel Mama Toulou,Paul C.M. Fossati,Cindy Lynn Rountree Data in Brief, 2024, 58, pp.111218. ⟨10.1016/j.dib.2024.111218⟩ Article dans une revue hal-04869283v1
Advanced Monte Carlo method for simulating glass alteration: Application to aluminoborosilicate glasses Jean-Marc Delaye,Sumit Tiwari,Emeric Brun,Paul Fossati,Stephane Gin Journal of the American Ceramic Society, 2024, pp.1-19. ⟨10.1111/jace.20167⟩ Article dans une revue cea-04738813v1
Thermodynamic and thermoelastic properties of hypostoichiometric MOX fuels with molecular dynamics simulations G. Porto,J. Bouchet,D. Bathellier,J. Bodin,M. Canducciet al. Journal of Nuclear Materials, 2024, 598, pp.155163. ⟨10.1016/j.jnucmat.2024.155163⟩ Article dans une revue hal-04695539v1
Threshold displacement in the tungsten-carbon system Matthew Jackson,Paul Fossati,Yan Than Ren,Robin W. Grimes Philosophical Magazine, 2024, 104 (21), pp.959-976. ⟨10.1080/14786435.2024.2372826⟩ Article dans une revue cea-04904972v1
Microstructural evolution of periclase under irradiation by molecular dynamics simulations Alain Chartier,Paul Fossati,Laurent van Brutzel,Orest Dorosh,Jacek Jagielski Journal of Applied Physics, 2023, 133, pp.215902. ⟨10.1063/5.0144673⟩ Article dans une revue cea-04603812v1
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⟩ Article dans une revue hal-04085503v1
Investigation of the solid/liquid phase transitions in the U Pu O system Pauline Fouquet-Métivier,Philippe Martin,Dario Manara,K. Dardenne,J. Rotheet al. Calphad, 2023, 80, pp.102523 Article dans une revue cea-04358486v1
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⟩ Article dans une revue cea-03714011v1
Les échelles anticholinergiques : usage en psychiatrie et mise à jour de l’échelle d’imprégnation anticholinergique H. Javelot,G. Meyer,G. Becker,G. Post,V. Rungeet al. L'Encéphale, 2022, 48 (3), pp.313-324. ⟨10.1016/j.encep.2021.09.004⟩ Article dans une revue hal-03514738v1
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 Gosséet al. Corrosion and Materials Degradation, 2021, 2 (3), pp.412. ⟨10.3390/cmd2030022⟩ Article dans une revue hal-03286909v1
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⟩ Article dans une revue hal-03551489v1
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⟩ Article dans une revue hal-03385662v1
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⟩ Article dans une revue hal-03551478v1
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⟩ Article dans une revue hal-03551389v1
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⟩ Article dans une revue hal-03551374v1
Visualization of ultrafast melting initiated from radiation-driven defects in solids Mianzhen Mo,Samuel T. Murphy,Zhijiang Chen,Paul C. M. Fossati,Renkai Liet al. Science Advances , 2019, 5 (5), ⟨10.1126/sciadv.aaw0392⟩ Article dans une revue hal-03551365v1
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⟩ Article dans une revue hal-03551328v1
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. Fossatiet al. Physical Review B, 2018, 98 (2), pp.024418. ⟨10.1103/PhysRevB.98.024418⟩ Article dans une revue 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⟩ Article dans une revue hal-03550947v1
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⟩ Article dans une revue hal-03551248v1
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⟩ Article dans une revue hal-03551215v1
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. Grimeset al. Journal of Physics: Condensed Matter, 2016, 28 (40), pp.405002. ⟨10.1088/0953-8984/28/40/405002⟩ Article dans une revue hal-03551231v1
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⟩ Article dans une revue hal-01435100v1
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 Maillardet al. Journal of Nuclear Materials, 2015, 462, pp.475-495. ⟨10.1016/j.jnucmat.2015.02.026⟩ Article dans une revue cea-02066505v1
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⟩ Article dans une revue hal-03550944v1
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⟩ Article dans une revue hal-03550951v1
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⟩ Article dans une revue hal-03550940v1
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⟩ Article dans une revue istex 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⟩ Article dans une revue hal-03550946v1

Autre publication scientifique (1)

Dataset of sodium borosilicate glass properties from molecular dynamics simulations Michel Mama Toulou,Paul Fossati,Cindy Lynn Rountree 2024, ⟨10.17632/jm38nkwp9x.1⟩ Autre publication scientifique hal-04660588v1

Thèse (1)

Contribution à l'étude des propriétés mécaniques du combustible nucléaire : Modélisation atomistique de la déformation du dioxyde d'uranium Paul Fossati Autre. Ecole Centrale Paris, 2012. Français. ⟨NNT : 2012ECAP0045⟩ Thèse tel-00780059v1