Christophe Domain

Publications

Article dans une revue (155)

Effects of thermal ageing and ion irradiation on intergranular P segregation in low alloy steel welds Leifeng Zhang,Bertrand Radiguet,Patrick Todeschini,Christophe Domain,Yang Shenet al. Journal of Nuclear Materials, 2024, 600, pp.155263. ⟨10.1016/j.jnucmat.2024.155263⟩ Article dans une revue hal-05318337v1
Compact A15 Frank-Kasper nano-phases at the origin of dislocation loops in face-centred cubic metals Alexandra Goryaeva,Christophe Domain,Alain Chartier,Alexandre Dézaphie,Thomas Swinburneet al. Nature Communications, 2023, 14 (1), pp.3003. ⟨10.1038/s41467-023-38729-6⟩ Article dans une revue hal-04163000v1
Development of a plasticity-oriented interatomic potential for CrFeMnNi high entropy alloys Ayobami Daniel Daramola,Giovanni Bonny,Gilles Adjanor,Christophe Domain,Ghiath Monnetet al. Computational Materials Science, 2022, 203, pp.111165. ⟨10.1016/j.commatsci.2021.111165⟩ Article dans une revue emse-03516753v1
Modelling the primary damage in Fe and W: influence of the short-range interactions on the cascade properties: Part 2 – multivariate multiple linear regression analysis of displacement cascades Andrée de Backer,Charlotte Becquart,Pär Olsson,Christophe Domain Journal of Nuclear Materials, 2021, 549, pp.152887. ⟨10.1016/j.jnucmat.2021.152887⟩ Article dans une revue hal-03159136v1
Modelling the primary damage in Fe and W: Influence of the short range interactions on the cascade properties: Part 1 – Energy transfer Charlotte Becquart,Andrée de Backer,Pär Olsson,Christophe Domain Journal of Nuclear Materials, 2021, 547, pp.152816. ⟨10.1016/j.jnucmat.2021.152816⟩ Article dans une revue hal-03159140v1
Effect of Ni, Mo and Mn content on spinodal decomposition kinetics and G-phase precipitation of aged model cast austenitic stainless steels R. Badyka,S. Saillet,J Emo,Christophe Domain,Cristelle Pareige Journal of Nuclear Materials, 2021, 555, pp.153123. ⟨10.1016/j.jnucmat.2021.153123⟩ Article dans une revue hal-03254730v1
Investigating the kinetics of the formation of a C Cottrell atmosphere around a screw dislocation in bcc iron: a mixed-lattice atomistic kinetic Monte-Carlo analysis R Candela,S Gelin,N Mousseau,R Veiga,C. Domainet al. Journal of Physics: Condensed Matter, 2021, 33 (6), pp.065704. ⟨10.1088/1361-648X/abc6c3⟩ Article dans une revue hal-03159172v1
A DFT-driven multifidelity framework for constructing efficient energy models for atomic-scale simulations Luca Messina,Alessio Quaglino,Alexandra Goryaeva,Mihai-Cosmin Marinica,Christophe Domainet al. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2020, 483, pp.15-21. ⟨10.1016/j.nimb.2020.09.011⟩ Article dans une revue hal-03159191v1
Study of solute segregation behavior at carbide–ferrite interfaces in 16MND5 welds Leifeng Zhang,Bertrand Radiguet,Patrick Todeschini,Christophe Domain,Yang Shenet al. Journal of Nuclear Materials, 2020, 542, pp.152531. ⟨10.1016/j.jnucmat.2020.152531⟩ Article dans une revue hal-03115392v1
Effect of annealing treatment at 550 °C on ferrite of thermally aged cast austenitic stainless steels and ageing kinetics of reverted cast austenitic stainless steels R. Badyka,Sébastien Saillet,C. Domain,Cristelle Pareige Journal of Nuclear Materials, 2020, 542, pp.152530. ⟨10.1016/j.jnucmat.2020.152530⟩ Article dans une revue hal-02943308v1
The dominant mechanisms for the formation of solute-rich clusters in low-Cu steels under irradiation N. Castin,G. Bonny,A. Bakaev,F. Bergner,C. Domainet al. Materials today energy, 2020, 17, pp.100472. ⟨10.1016/j.mtener.2020.100472⟩ Article dans une revue hal-03115399v1
Thermodynamic modeling of G-phase and assessment of phase stabilities in reactor pressure vessel steels and cast duplex stainless steels Aurélie Jacob,Christophe Domain,Gilles Adjanor,Patrick Todeschini,Erwin Povoden-Karadeniz Journal of Nuclear Materials, 2020, 533, pp.152091. ⟨10.1016/j.jnucmat.2020.152091⟩ Article dans une revue hal-03159186v1
A new scenario for ‹c› vacancy loop formation in zirconium based on atomic-scale modeling B. Christiaen,C. Domain,L. Thuinet,A. Ambard,A. Legris Acta Materialia, 2019, 179, pp.93-106. ⟨10.1016/j.actamat.2019.07.030⟩ Article dans une revue hal-02445245v1
The impact of alloying elements on the precipitation stability and kinetics in iron based alloys: An atomistic study G. Bonny,C. Domain,N. Castin,P. Olsson,L. Malerba Computational Materials Science, 2019, 161, pp.309-320. ⟨10.1016/j.commatsci.2019.02.007⟩ Article dans une revue hal-02062109v1
Investigation of solute segregation behavior using a correlative EBSD/TKD/APT methodology in a 16MND5 weld Leifeng Zhang,Bertrand Radiguet,Patrick Todeschini,Christophe Domain,Yang Shenet al. Journal of Nuclear Materials, 2019, 523, pp.434-443. ⟨10.1016/j.jnucmat.2019.06.002⟩ Article dans une revue hal-02172714v1
Flexible thermoelectric device based on TiS2(HA)x n-type nanocomposite printed on paper Salim Ferhat,Christophe Domain,Julien Vidal,Didier Noël,Bernard Ratieret al. Organic Electronics, 2019, 68, pp.256-263. ⟨10.1016/j.orgel.2019.02.031⟩ Article dans une revue hal-02062112v1
Quantification of hardening contribution of G-Phase precipitation and spinodal decomposition in aged duplex stainless steel: APT analysis and micro-hardness measurements R. Badyka,G. Monnet,S. Saillet,C. Domain,Cristelle Pareige Journal of Nuclear Materials, 2019, 514, pp.266-275. ⟨10.1016/j.jnucmat.2018.12.002⟩ Article dans une revue hal-02061837v1
Interaction between interstitial carbon atoms and a ½ 〈1 1 1〉 self-interstitial atoms loop in an iron matrix: a combined DFT, off lattice KMC and MD study C Candela,N. Mousseau,R Veiga,C. Domain,C Becquart Journal of Physics: Condensed Matter, 2018, 30 (33), ⟨10.1088/1361-648X/aad25d⟩ Article dans une revue hal-01856251v1
Organic thermoelectric devices based on a stable n-type nanocomposite printed on paper Salim Ferhat,Christophe Domain,Julien Vidal,Didier Noël,Bernard Ratieret al. Sustainable Energy & Fuels, 2018, 2, 2018, pp.387-395. ⟨10.1039/C7SE00313G⟩ Article dans une revue hal-01773626v1
A DFT study of the stability of SIAs and small SIA clusters in the vicinity of solute atoms in Fe C. Becquart,R. Ngayam Happy,P. Olsson,C. Domain Journal of Nuclear Materials, 2018, 500, pp.92 - 109. ⟨10.1016/j.jnucmat.2017.12.022⟩ Article dans une revue istex hal-01828006v1
Anti-aging treatment of nuclear power plant steel Yan Zhao,Binyan He,Sébastien Saillet,Christophe Domain,Patrick Le Delliouet al. Materials Science and Engineering: A, 2018, 735, pp.73 - 80. ⟨10.1016/j.msea.2018.08.023⟩ Article dans une revue hal-01858543v1
Hardening Contribution of G-Phase Nanoparticle Precipitation and Spinodal Decomposition in Aged Duplex Stainless Steel Studied by APT Analysis and Micro-Hardness of Ferrite R. Badyka,S. Saillet,C. Domain,G. Monnet,C. Pareige Microscopy and Microanalysis, 2018, 24 (S1), pp.2210 - 2211. ⟨10.1017/S1431927618011534⟩ Article dans une revue hal-01856544v1
A model of defect cluster creation in fragmented cascades in metals based on morphological analysis A. de Backer,C. Domain,C. S. Becquart,L. Luneville,D. Simeoneet al. Journal of Physics: Condensed Matter, 2018, 30 (40), ⟨10.1088/1361-648X/aadb4e⟩ Article dans une revue hal-02623707v1
Multiscale modelling of the interaction of hydrogen with interstitial defects and dislocations in BCC tungsten A. de Backer,D. Mason,C. Domain,D. Nguyen-Manh,M.-C. Marinicaet al. Nuclear Fusion, 2018, 58 (1), ⟨10.1088/1741-4326/aa8e0c⟩ Article dans une revue hal-01828011v1
Advanced atomistic models for radiation damage in Fe-based alloys: Contributions and future perspectives from artificial neural networks N. Castin,M.I. Pascuet,L. Messina,C. Domain,P. Olssonet al. Computational Materials Science, 2018, 148, pp.116 - 130. ⟨10.1016/j.commatsci.2018.02.025⟩ Article dans une revue hal-01828010v1
Solute – 〈111〉 interstitial loop interaction in α-Fe: A DFT study C. Domain,C.S. Becquart Journal of Nuclear Materials, 2018, 499, pp.582 - 594. ⟨10.1016/j.jnucmat.2017.10.070⟩ Article dans une revue istex hal-01828005v1
Introducing $ab\ initio$ based neural networks for transition-rate prediction in kinetic Monte Carlo simulations Luca Messina,Nicolas Castin,Christophe Domain,Pär Olsson Physical Review B, 2017, 95 (6), pp.064112. ⟨10.1103/PhysRevB.95.064112⟩ Article dans une revue hal-01828015v1
Recent advances in modeling and simulation of the exposure and response of tungsten to fusion energy conditions Jaime Marian,Charlotte Becquart,Christophe Domain,Sergei Dudarev,Mark Gilbertet al. Nuclear Fusion, 2017, 57 (9), ⟨10.1088/1741-4326/aa5e8d⟩ Article dans une revue hal-01828019v1
Hydrogen accumulation around dislocation loops and edge dislocations: from atomistic to mesoscopic scales in BCC tungsten D de Backer,D Mason,C. Domain,D Nguyen-Manh,C. Marinicaet al. Physica Scripta, 2017, T170, ⟨10.1088/1402-4896/aa9400⟩ Article dans une revue hal-01828016v1
Influence of Ni, Mo and Mn Content on the G-Phase Precipitation and Spinodal Decomposition of Aged Duplex Stainless Steels. R. Badyka,C. Pareige,S. Saillet,C. Domain Microscopy and Microanalysis, 2017, 23 (S1), pp.728 - 729. ⟨10.1017/S1431927617004305⟩ Article dans une revue hal-01828017v1
Improved atomistic Monte Carlo models based on $ab-initio$ -trained neural networks: Application to FeCu and FeCr alloys N. Castin,L. Messina,C. Domain,R. Pasianot,P. Olsson Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2017, 95, pp.214117. ⟨10.1103/PhysRevB.95.214117⟩ Article dans une revue hal-01828014v1
Interatomic potential to study the formation of NiCr clusters in high Cr ferritic steels G. Bonny,A. Bakaev,P. Olsson,C. Domain,E.E. Zhurkinet al. Journal of Nuclear Materials, 2017, 484, pp.42 - 50. ⟨10.1016/j.jnucmat.2016.11.017⟩ Article dans une revue hal-01828012v1
Density functional theory-based cluster expansion to simulate thermal annealing in FeCrW alloys G. Bonny,N. Castin,C. Domain,P. Olsson,B. Verreykenet al. Philosophical Magazine, 2016, 97 (5), pp.299 - 317. ⟨10.1080/14786435.2016.1258123⟩ Article dans une revue hal-01828020v1
Carbon diffusion in bulk hcp zirconium: A multi-scale approach Y. Xu,J. Roques,C. Domain,E. Simoni Journal of Nuclear Materials, 2016, 473, pp.61-67. ⟨10.1016/j.jnucmat.2016.02.010⟩ Article dans une revue in2p3-01339312v1
Non-equilibrium properties of interatomic potentials in cascade simulations in tungsten A.E. Sand,J. Dequeker,C. Becquart,C. Domain,K. Nordlund Journal of Nuclear Materials, 2016, 470, pp.119 - 127. ⟨10.1016/j.jnucmat.2015.12.012⟩ Article dans une revue hal-01828022v1
Ab initio threshold displacement energies in iron P. Olsson,C. Becquart,C. Domain Materials Research Letters, 2016, 4 (4), pp.219 - 225. ⟨10.1080/21663831.2016.1181680⟩ Article dans une revue hal-01828021v1
Long term simulation of point defect cluster size distributions from atomic displacement cascades in Fe 70 Cr 20 Ni 10 A. Souidi,M. Hou,C. Becquart,C. Domain,A. de Backer Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2015, 352, pp.51 - 55. ⟨10.1016/j.nimb.2014.11.114⟩ Article dans une revue hal-01828032v1
Modeling of helium bubble nucleation and growth in austenitic stainless steels using an Object Kinetic Monte Carlo method A. de Backer,G. Adjanor,C. Domain,L.M. Lescoat,S. Jublot-Leclercet al. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2015, pp.107-114. ⟨10.1016/j.nimb.2014.11.110⟩ Article dans une revue in2p3-01165410v1
Nanostructure evolution under irradiation of Fe(C)MnNi model alloys for reactor pressure vessel steels M. Chiapetto,C. Becquart,C. Domain,L. Malerba Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2015, 352, pp.56 - 60. ⟨10.1016/j.nimb.2014.11.102⟩ Article dans une revue hal-01828024v1
Kinetic Monte Carlo simulation of nanostructural evolution under post-irradiation annealing in dilute FeMnNi M. Chiapetto,C. Becquart,C. Domain,L. Malerba Physica Status Solidi C: Current Topics in Solid State Physics, 2015, 12 (1-2), pp.20 - 24. ⟨10.1002/pssc.201400143⟩ Article dans une revue istex hal-01828025v1
Modeling of helium bubble nucleation and growth in austenitic stainless steels using an Object Kinetic Monte Carlo method A. de Backer,G. Adjanor,C. Domain,M.L. Lescoat,S. Jublot-Leclercet al. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2015, 352, pp.107 - 114. ⟨10.1016/j.nimb.2014.11.110⟩ Article dans une revue hal-01828028v1
Molecular dynamics investigation of the interaction of an edge dislocation with Frank loops in Fe―Ni 10―Cr 20 alloy Jean-Baptiste Baudouin,Akiyoshi Nomoto,Michel Perez,Ghiath Monnet,Christophe Domain Journal of Nuclear Materials, 2015, 465, pp.301--310 Article dans une revue hal-01540094v1
Kinetics of G-phase precipitation and spinodal decomposition in very long aged ferrite of a Mo-free duplex stainless steel Cristelle Pareige,J. Emo,S. Saillet,C. Domain,Philippe Pareige Journal of Nuclear Materials, 2015, 465, pp.383 - 389. ⟨10.1016/j.jnucmat.2015.06.017⟩ Article dans une revue hal-01828030v1
Numerical evaluation of dislocation loop sink strengths: A phase-field approach H. Rouchette,L. Thuinet,A. Legris,A. Ambard,C. Domain Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2015, 352, pp.31 - 35. ⟨10.1016/j.nimb.2015.01.006⟩ Article dans une revue hal-01828031v1
Atomic structure of grain boundaries in iron modeled using the atomic density function O. Kapikranian,Helena Zapolsky,C. Domain,Renaud Patte,Cristelle Pareigeet al. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2014, 89 (1), ⟨10.1103/PhysRevB.89.014111⟩ Article dans une revue hal-01828041v1
Modeling of the self trapping of helium and the trap mutation in tungsten using DFT and empirical potentials based on DFT Julien Boisse,A. de Backer,C. Domain,C. Becquart Journal of Materials Research, 2014, 29 (20), pp.2374-2386. ⟨10.1557/jmr.2014.258⟩ Article dans une revue hal-01943690v1
First-principles study of point defects in an fcc Fe-10Ni-20Cr model alloy J. Piochaud,C. Klaver,G. Adjanor,P. Olsson,C. Domainet al. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2014, 89 (2), ⟨10.1103/PhysRevB.89.024101⟩ Article dans une revue hal-01828044v1
Exact ab initio transport coefficients in bcc Fe − X ( X = Cr , Cu , Mn , Ni , P , Si ) dilute alloys Luca Messina,Maylise Nastar,Thomas Garnier,Christophe Domain,Pär Olsson Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2014, 90 (10), ⟨10.1103/PhysRevB.90.104203⟩ Article dans une revue hal-01828042v1
Recent radiation damage studies and developments of the Marlowe code C. Ortiz,A. Souidi,C. Becquart,C. Domain,M. Hou Radiation Effects and Defects in Solids, 2014, 169 (7), pp.592 - 602. ⟨10.1080/10420150.2014.920018⟩ Article dans une revue hal-01828043v1
Modelling self trapping and trap mutation in tungsten using DFT and Molecular Dynamics with an empirical potential based on DFT J. Boisse,C. Domain,C.S. Becquart Journal of Nuclear Materials, 2014, 455 (1-3), pp.10 - 15. ⟨10.1016/j.jnucmat.2014.02.031⟩ Article dans une revue hal-01486154v1
Quantitative phase field model for dislocation sink strength calculations H. Rouchette,L. Thuinet,A. Legris,A. Ambard,C. Domain Computational Materials Science, 2014, 88, pp.50 - 60. ⟨10.1016/j.commatsci.2014.02.011⟩ Article dans une revue hal-01828046v1
Influence of shape anisotropy of self-interstitials on dislocation sink efficiencies in Zr: Multiscale modeling H. Rouchette,L. Thuinet,A. Legris,A. Ambard,C. Domain Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2014, 90 (1), ⟨10.1103/PhysRevB.90.014104⟩ Article dans une revue hal-01828047v1
Kinetics of secondary phase precipitation during spinodal decomposition in duplex stainless steels: A kinetic Monte Carlo model – Comparison with atom probe tomography experiments Jonathan Emo,Cristelle Pareige,Sébastien Saillet,Christophe Domain,Philippe Pareige Journal of Nuclear Materials, 2014, 451 (1-3), pp.361 - 365. ⟨10.1016/j.jnucmat.2014.04.025⟩ Article dans une revue istex hal-01828039v1
Sintering of ferritic and austenitic nanopowders using Spark Plasma Sintering Bassem Mouawad,Damien Fabrègue,Michel Perez,Martine Blat-Yrieix,Frédéric Delabrouilleet al. Metallurgical Research & Technology, 2014, 111 (5), pp.305-310. ⟨10.1051/metal/2014041⟩ Article dans une revue istex hal-01540102v1
Vacancy migration energy dependence on local chemical environment in Fe–Cr alloys: A Density Functional Theory study D. Costa,G. Adjanor,C. Becquart,P. Olsson,C. Domain Journal of Nuclear Materials, 2014, 452 (1-3), pp.425 - 433. ⟨10.1016/j.jnucmat.2014.05.007⟩ Article dans une revue hal-01828038v1
Effect of the applied stress and the friction stress on the dislocation dissociation in face centered cubic metals Ghiath Monnet,Jean-Baptiste Baudouin,Michel Perez,Christophe Domain,Akiyoshi Nomoto Materials Letters, 2013, 97, pp.93 - 96. ⟨10.1016/j.matlet.2012.10.117⟩ Article dans une revue istex hal-01830641v1
TEM investigations of the oxide layers formed on a 316L alloy in simulated PWR environment R. Soulas,M. Cheynet,E. Rauch,T. Neisius,L. Legraset al. Journal of Materials Science, 2013, 48 (7), pp.2861-2871. ⟨10.1007/s10853-012-6975-0⟩ Article dans une revue istex hal-00839666v1
Recent progress in research on tungsten materials for nuclear fusion applications in Europe M. Rieth,S. Dudarev,S. Gonzalez de Vicente,J. Aktaa,T. Ahlgrenet al. Journal of Nuclear Materials, 2013, 432 (1-3), pp.482 - 500. ⟨10.1016/j.jnucmat.2012.08.018⟩ Article dans une revue hal-01828091v1
Spatial effects in the 800keV 3He implantation in W followed by isochronal annealing at 900K A. de Backer,C. Ortiz,C. Domain,M.F. Barthe,C.S. Becquart Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2013, 303, pp.87 - 90. ⟨10.1016/j.nimb.2012.10.025⟩ Article dans une revue istex hal-01828088v1
First principle-based AKMC modelling of the formation and medium-term evolution of point defect and solute-rich clusters in a neutron irradiated complex Fe–CuMnNiSiP alloy representative of reactor pressure vessel steels R. Ngayam-Happy,C. Becquart,C. Domain Journal of Nuclear Materials, 2013, 440 (1-3), pp.143 - 152. ⟨10.1016/j.jnucmat.2013.04.081⟩ Article dans une revue hal-01828090v1
Self-interstitial defects in hexagonal close packed metals revisited: Evidence for low-symmetry configurations in Ti, Zr, and Hf G. Vérité,C. Domain,Chu-Chun Fu,P. Gasca,A. Legriset al. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2013, 87 (13), ⟨10.1103/PhysRevB.87.134108⟩ Article dans une revue hal-01828093v1
Mechanisms of radiation strengthening in Fe–Cr alloys as revealed by atomistic studies Ghiath Monnet,D. Terentyev,G. Bonny,C. Domain,L. Malerba Journal of Nuclear Materials, 2013, 442 (1-3), pp.470 - 485. ⟨10.1016/j.jnucmat.2013.03.054⟩ Article dans une revue istex hal-01830633v1
Mechanisms of radiation strengthening in Fe–Cr alloys as revealed by atomistic studies D. Terentyev,G. Bonny,C. Domain,G. Monnet,L. Malerba Journal of Nuclear Materials, 2013, 442 (1-3), pp.470 - 485. ⟨10.1016/j.jnucmat.2013.03.054⟩ Article dans une revue istex hal-01828092v1
Effect of the applied stress and the friction stress on the dislocation dissociation in face centered cubic metals Jean-Baptiste Baudouin,Ghiath Monnet,Michel Perez,Christophe Domain,Akiyoshi Nomoto Materials Letters, 2013, 97, pp.93--96 Article dans une revue hal-01540106v1
Sink strength calculations of dislocations and loops using OKMC V. Jansson,L. Malerba,A. de Backer,C. Becquart,C. Domain Journal of Nuclear Materials, 2013, 442 (1-3), pp.218 - 226. ⟨10.1016/j.jnucmat.2013.08.052⟩ Article dans une revue hal-01828089v1
Structure of nanoscale copper precipitates in neutron-irradiated Fe-Cu-C alloys B. Minov,M. Lambrecht,D. Terentyev,C. Domain,M. Konstantinović Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2012, 85 (2), ⟨10.1103/PhysRevB.85.024202⟩ Article dans une revue hal-01828095v1
Solute–point defect interactions in bcc systems: Focus on first principles modelling in W and RPV steels C. Becquart,C. Domain Current Opinion in Solid State and Materials Science, 2012, 16 (3), pp.115 - 125. ⟨10.1016/j.cossms.2012.01.001⟩ Article dans une revue istex hal-01828094v1
First-principles molecular dynamics simulations of uranyl ion interaction at the water/rutile TiO2(110) interface K. Sebbari,J. Roques,E. Simoni,C. Domain,H. Perronet al. Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2012, 606, pp.1135-1141. ⟨10.1016/j.susc.2012.01.023⟩ Article dans une revue istex in2p3-00723823v1
Formation and evolution of MnNi clusters in neutron irradiated dilute Fe alloys modelled by a first principle-based AKMC method R. Ngayam-Happy,C. Becquart,C. Domain,L. Malerba Journal of Nuclear Materials, 2012, 426 (1-3), pp.198 - 207. ⟨10.1016/j.jnucmat.2012.03.033⟩ Article dans une revue hal-01828096v1
Atomistic modeling of carbon Cottrell atmospheres in bcc iron Rga Veiga,M Perez,Cs Becquart,C Domain Journal of Physics: Condensed Matter, 2012, 25 (2), pp.025401 Article dans une revue hal-01540113v1
On the correlation between primary damage and long-term nanostructural evolution in iron under irradiation A. Souidi,M. Hou,C. Becquart,L. Malerba,C. Domainet al. Journal of Nuclear Materials, 2011, 419 (1-3), pp.122 - 133. ⟨10.1016/j.jnucmat.2011.08.049⟩ Article dans une revue hal-01828101v1
Review on the EFDA programme on tungsten materials technology and science M. Rieth,L. Boutard,S. Dudarev,T. Ahlgren,S. Antuschet al. Journal of Nuclear Materials, 2011, 417 (1-3), pp.463 - 467. ⟨10.1016/j.jnucmat.2011.01.075⟩ Article dans une revue istex hal-01828097v1
Investigation of hydrogen bonds and temperature effects on the water monolayer adsorption on rutile TiO2 (110) by first-principles molecular dynamics simulations K. Sebbari,C. Domain,J. Roques,H. Perron,E. Simoniet al. Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2011, 605, pp.1275-1280. ⟨10.1016/j.susc.2011.04.015⟩ Article dans une revue istex in2p3-00616810v1
Modeling Microstructure and Irradiation Effects C. Becquart,C. Domain Metallurgical and Materials Transactions A, 2011, 42 (4), pp.852 - 870. ⟨10.1007/s11661-010-0460-7⟩ Article dans une revue hal-01828100v1
Comparison of atomistic and elasticity approaches for carbon diffusion near line defects in α-iron Rga Veiga,M Perez,Cs Becquart,E Clouet,C Domain Acta Materialia, 2011, 59 (18), pp.6963--6974 Article dans une revue hal-01540115v1
Kinetic study of phase transformation in a highly concentrated Fe–Cr alloy: Monte Carlo simulation versus experiments Cristelle Pareige,Manuel Roussel,Stéphane Novy,V. Kuksenko,P. Olssonet al. Acta Materialia, 2011, 59 (6), pp.2404 - 2411. ⟨10.1016/j.actamat.2010.12.038⟩ Article dans une revue istex hal-01828099v1
Comparison of atomistic and elasticity approaches for carbon diffusion near line defects in alpha-iron R. G. A. Veiga,Michel Perez,C. S. Becquart,E. Clouet,C. Domain Acta Materialia, 2011, 59 (18), pp.6963-6974. ⟨10.1016/j.actamat.2011.07.048⟩ Article dans une revue istex hal-01822580v1
Effect of the stress field of an edge dislocation on carbon diffusion in α-iron: Coupling molecular statics and atomistic kinetic Monte Carlo R. G. A. Veiga,Michel Perez,Charlotte Becquart,Christophe Domain,Sébastien Garruchet Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2010, 82, pp.054103 Article dans une revue hal-00511286v1
Isochronal annealing of electron-irradiated dilute Fe alloys modelled by an ab initio based AKMC method: Influence of solute–interstitial cluster properties R. Ngayam-Happy,P. Olsson,C. Becquart,C. Domain Journal of Nuclear Materials, 2010, 407 (1), pp.16 - 28. ⟨10.1016/j.jnucmat.2010.07.004⟩ Article dans une revue istex hal-01828111v1
Overview of the RPV-2 and INTERN-1 packages: From primary damage to microplasticity G. Adjanor,S. Bugat,C. Domain,A. Barbu Journal of Nuclear Materials, 2010, 406 (1), pp.175 - 186. ⟨10.1016/j.jnucmat.2009.09.006⟩ Article dans une revue istex hal-01828105v1
Effect of the stress field of an edge dislocation on carbon diffusion in alpha-iron: Coupling molecular statics and atomistic kinetic Monte Carlo R. G. A. Veiga,Michel Perez,C. S. Becquart,C. Domain,S. Garruchet Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2010, 82 (5), ⟨10.1103/PhysRevB.82.054103⟩ Article dans une revue hal-01822663v1
Modeling the long-term evolution of the primary damage in ferritic alloys using coarse-grained methods C. Becquart,A. Barbu,L. Bocquet,M. Caturla,C. Domainet al. Journal of Nuclear Materials, 2010, 406 (1), pp.39 - 54. ⟨10.1016/j.jnucmat.2010.05.019⟩ Article dans une revue istex hal-01828107v1
Interaction of a 1 2 ⟨ 111 ⟩ screw dislocation with Cr precipitates in bcc Fe studied by molecular dynamics D. Terentyev,G. Bonny,C. Domain,R. Pasianot Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2010, 81 (21), ⟨10.1103/PhysRevB.81.214106⟩ Article dans une revue hal-01828144v1
Atomistic Kinetic Monte Carlo studies of microchemical evolutions driven by diffusion processes under irradiation F. Soisson,C. Becquart,N. Castin,C. Domain,L. Malerbaet al. Journal of Nuclear Materials, 2010, 406 (1), pp.55 - 67. ⟨10.1016/j.jnucmat.2010.05.018⟩ Article dans une revue istex hal-01828143v1
Ab initio study of solute transition-metal interactions with point defects in bcc Fe P. Olsson,C. Klaver,C. Domain Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2010, 81 (5), ⟨10.1103/PhysRevB.81.054102⟩ Article dans une revue hal-01828116v1
Introducing chemistry in atomistic kinetic Monte Carlo simulations of Fe alloys under irradiation C. Becquart,C. Domain physica status solidi (b), 2010, 247 (1), pp.9 - 22. ⟨10.1002/pssb.200945251⟩ Article dans une revue istex hal-01828137v1
Comparison of empirical interatomic potentials for iron applied to radiation damage studies L. Malerba,C. Marinica,N. Anento,C. Björkas,H. Nguyenet al. Journal of Nuclear Materials, 2010, 406 (1), pp.19 - 38. ⟨10.1016/j.jnucmat.2010.05.017⟩ Article dans une revue istex hal-01828113v1
Microstructural evolution of irradiated tungsten: Ab initio parameterisation of an OKMC model C. Becquart,C. Domain,U. Sarkar,A. Debacker,M. Hou Journal of Nuclear Materials, 2010, 403 (1-3), pp.75 - 88. ⟨10.1016/j.jnucmat.2010.06.003⟩ Article dans une revue hal-01828108v1
Microstructure evolution of irradiated tungsten: Crystal effects in He and H implantation as modelled in the Binary Collision Approximation M. Hou,C. Ortiz,C. Becquart,C. Domain,U. Sarkaret al. Journal of Nuclear Materials, 2010, 403 (1-3), pp.89 - 100. ⟨10.1016/j.jnucmat.2010.06.004⟩ Article dans une revue istex hal-01828110v1
Ab initio calculations and interatomic potentials for iron and iron alloys: Achievements within the Perfect Project L. Malerba,G. Ackland,C. Becquart,G. Bonny,C. Domainet al. Journal of Nuclear Materials, 2010, 406 (1), pp.7 - 18. ⟨10.1016/j.jnucmat.2010.05.016⟩ Article dans une revue istex hal-01828115v1
A density functional theory assessment of the clustering behaviour of He and H in tungsten C. Becquart,C. Domain Journal of Nuclear Materials, 2009, 386-388 (2), pp.109 - 111. ⟨10.1016/j.jnucmat.2008.12.085⟩ Article dans une revue istex hal-01828150v1
An object Kinetic Monte Carlo Simulation of the dynamics of helium and point defects in tungsten C. Becquart,C. Domain Journal of Nuclear Materials, 2009, 385 (2), pp.223 - 227. ⟨10.1016/j.jnucmat.2008.11.027⟩ Article dans une revue istex hal-01828147v1
Ferromagnetic Compounds for High Efficiency Photovoltaic Conversion: The Case of AlP:Cr P. Olsson,C. Domain,J.-F. Guillemoles Physical Review Letters, 2009, 102 (22), ⟨10.1103/PhysRevLett.102.227204⟩ Article dans une revue hal-01828155v1
Short- and long-range orders in Fe–Cr: A Monte Carlo study Cristelle Pareige,C. Domain,P. Olsson Journal of Applied Physics, 2009, 106 (10), ⟨10.1063/1.3257232⟩ Article dans une revue hal-01828256v1
MOLECULAR DDYNAMICS SIMULATIONS OF DAMAGE AND PLASTICITY - THE ROLE OF AB INITIO CALCULATIONS IN THE DEVELOPMENT OF INTERATOMIC POTENTIALS. Charlotte Becquart,Christophe Domain Philosophical Magazine, 2009, 89 (34-36), pp.3215-3234. ⟨10.1080/14786430903250819⟩ Article dans une revue hal-00541678v1
Atomic and dislocation dynamics simulations of plastic deformation in reactor pressure vessel steel Ghiath Monnet,Christophe Domain,Sylvain Queyreau,Sanae Naamane,Benoit Devincre Journal of Nuclear Materials, 2009, 394 (2-3), pp.174 - 181. ⟨10.1016/j.jnucmat.2009.09.005⟩ Article dans une revue istex hal-01828154v1
Precipitation of the FeCu system: A critical review of atomic kinetic Monte Carlo simulations E. Vincent,C. Becquart,Cristelle Pareige,Philippe Pareige,C. Domain Journal of Nuclear Materials, 2008, 373 (1-3), pp.387 - 401. ⟨10.1016/j.jnucmat.2007.06.016⟩ Article dans une revue istex hal-01828295v1
Towards improved photovoltaic conversion using dilute magnetic semiconductors (abstract only) Pär Olsson,J-F Guillemoles,C. Domain Journal of Physics: Condensed Matter, 2008, 20 (6), ⟨10.1088/0953-8984/20/6/064226⟩ Article dans une revue hal-01828290v1
Uranyl interaction with the hydrated (1 1 1) nickel face: A periodic density functional theory investigation M. Levesque,J. Roques,C. Domain,H. Perron,E. Veillyet al. Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2008, 602, pp.3331-3337. ⟨10.1016/j.susc.2008.09.006⟩ Article dans une revue istex in2p3-00422487v1
Density functional calculations on structural materials for nuclear energy applications and functional materials for photovoltaic energy applications (abstract only) C. Becquart,C. Domain,P Olsson,A. Legris,J Guillemoles Journal of Physics: Condensed Matter, 2008, 20 (6), pp.3215 - 3234. ⟨10.1088/0953-8984/20/6/064224⟩ Article dans une revue hal-01828277v1
Self-Trapped Interstitial-Type Defects in Iron D. Terentyev,C. Klaver,P. Olsson,C. Marinica,F. Willaimeet al. Physical Review Letters, 2008, 100 (14), ⟨10.1103/PhysRevLett.100.145503⟩ Article dans une revue hal-01828303v1
Relevancy of displacement cascades features to the long term point defect cluster growth M. Hou,A. Souidi,C. Becquart,C. Domain,L. Malerba Journal of Nuclear Materials, 2008, 382 (2-3), pp.103 - 111. ⟨10.1016/j.jnucmat.2008.08.034⟩ Article dans une revue istex hal-01828283v1
Microstructural evolution under high flux irradiation of dilute Fe–CuNiMnSi alloys studied by an atomic kinetic Monte Carlo model accounting for both vacancies and self interstitials E. Vincent,C. Becquart,C. Domain Journal of Nuclear Materials, 2008, 382 (2-3), pp.154 - 159. ⟨10.1016/j.jnucmat.2008.08.019⟩ Article dans une revue istex hal-01828300v1
Mean field rate theory and object kinetic Monte Carlo: A comparison of kinetic models R.E. Stoller,S.I. Golubov,C. Domain,C.S. Becquart Journal of Nuclear Materials, 2008, 382 (2-3), pp.77 - 90. ⟨10.1016/j.jnucmat.2008.08.047⟩ Article dans une revue istex hal-01828292v1
Theoretical Investigation of the Uranyl Ion Sorption on the Rutile TiO2(110) Face H. Perron,J. Roques,C. Domain,R. Drot,E. Simoniet al. Inorganic Chemistry, 2008, 47, pp.10991-10997. ⟨10.1021/ic801246k⟩ Article dans une revue istex in2p3-00422532v1
Structural investigation and electronic properties of the nickel ferrite NiFe2O4: a periodic density functional theory approach H. Perron,T. Mellier,C. Domain,J. Roques,E. Simoniet al. Journal of Physics: Condensed Matter, 2007, 19, pp.346219. ⟨10.1088/0953-8984/19/34/346219⟩ Article dans une revue in2p3-00273713v1
Object kinetic Monte Carlo study of sink strengths Lorenzo Malerba,Charlotte Becquart,Christophe Domain Journal of Nuclear Materials, 2007, 360 (2), pp.159 - 169. ⟨10.1016/j.jnucmat.2006.10.002⟩ Article dans une revue istex hal-01828326v1
Density functional theory analysis of the structural and electronic properties of TiO2 rutile and anatase polytypes: Performances of different exchange-correlation functionals Frédéric Labat,Philippe Baranek,Christophe Domain,Christian Minot,Carlo Adamo The Journal of Chemical Physics, 2007, 126 (15), ⟨10.1063/1.2717168⟩ Article dans une revue hal-01828320v1
Artificial intelligence applied to atomistic kinetic Monte Carlo simulations in Fe–Cu alloys S. Becquart,M. Raulot,G. Bencteux,C. Domain,Michel Perezet al. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2007, 255 (1), pp.8 - 12. ⟨10.1016/j.nimb.2006.11.039⟩ Article dans une revue istex hal-01828313v1
Ab initio study of Cr interactions with point defects in bcc Fe Pär Olsson,Christophe Domain,Janne Wallenius Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2007, 75 (1), ⟨10.1103/PhysRevB.75.014110⟩ Article dans une revue hal-01828323v1
Atomic kinetic Monte Carlo model based on ab initio data: Simulation of microstructural evolution under irradiation of dilute Fe–CuNiMnSi alloys E. Vincent,C. Becquart,C. Domain Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2007, 255 (1), pp.78 - 84. ⟨10.1016/j.nimb.2006.11.033⟩ Article dans une revue istex hal-01828310v1
Combined investigation of water sorption on $TiO_2$ rutile (1 1 0) single crystal face: XPS vs. periodic DFT H. Perron,Johan Vandenborre,C. Domain,R. Drot,J. Roqueset al. Surface Science : A Journal Devoted to the Physics and Chemistry of Interfaces, 2007, 601, pp.518-527. ⟨10.1016/j.susc.2006.10.015⟩ Article dans une revue in2p3-00134763v1
Optimisation of accurate rutile $TiO_2$ (110), (100), (101) and (001) surface models from periodic DFT calculations H. Perron,C. Domain,J. Roques,R. Drot,E. Simoniet al. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2007, 117, pp.565-574. ⟨10.1007/s00214-006-0189-y⟩ Article dans une revue istex in2p3-00142837v1
Ab initio calculations about intrinsic point defects and He in W C. Becquart,C. Domain Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2007, 255 (1), pp.23 - 26. ⟨10.1016/j.nimb.2006.11.006⟩ Article dans une revue istex hal-01828328v1
Stability and mobility of small vacancy and copper-vacancy clusters in bcc-Fe: An atomistic kinetic Monte Carlo study F.G. Djurabekova,L. Malerba,C. Domain,C.S. Becquart Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2007, 255 (1), pp.47 - 51. ⟨10.1016/j.nimb.2006.11.009⟩ Article dans une revue istex hal-01828317v1
Atomistic modeling of an Fe system with a small concentration of C Charlotte Becquart,Jean-Marc Raulot,Guy Bencteux,Christophe Domain,Michel Perezet al. Computational Materials Science, 2007, 40, pp.119-129 Article dans une revue hal-00168918v1
Comparison between three complementary approaches to simulate ‘ large ’ fluence irradiation: application to electron irradiation of thin foils A. Barbu *,C. Becquart,J. Bocquet,J. Dalla Torre,C. Domain Philosophical Magazine, 2006, 85 (4-7), pp.541 - 547. ⟨10.1080/14786430412331334616⟩ Article dans une revue hal-01828662v1
Periodic Density Functional Theory Investigation of the Uranyl Ion Sorption on the TiO2 Rutile (110) Face H. Perron,C. Domain,J. Roques,R. Drot,E. Simoniet al. Inorganic Chemistry, 2006, 45, pp.6568-6570. ⟨10.1021/ic0603914⟩ Article dans une revue istex in2p3-00211960v1
Ab initio atomic-scale modelling of iodine effects on hcp zirconium A. Legris *,C. Domain Philosophical Magazine, 2006, 85 (4-7), pp.589 - 595. ⟨10.1080/02678370412331320099⟩ Article dans une revue hal-01828669v1
Effect of displacement cascade structure and defect mobility on the growth of point defect clusters under irradiation C. Becquart,A. Souidi,C. Domain,M. Hou,L. Malerbaet al. Journal of Nuclear Materials, 2006, 351 (1-3), pp.39 - 46. ⟨10.1016/j.jnucmat.2006.02.022⟩ Article dans une revue istex hal-01828345v1
Ab initio modelling of defect properties with substitutional and interstitials elements in steels and Zr alloys A. Souidi,C. Becquart,C. Domain,D. Terentyev,L. Malerbaet al. Journal of Nuclear Materials, 2006, 351 (1-3), pp.1 - 19. ⟨10.1016/j.jnucmat.2006.02.025⟩ Article dans une revue istex hal-01828358v1
Ab initio atomic-scale determination of point-defect structure in hcp zirconium C.S. Becquart *,A. Souidi,M. Hou,C. Domain,A. Legris Philosophical Magazine, 2006, 85 (4-7), pp.569 - 575. ⟨10.1080/14786430412331334625⟩ Article dans une revue hal-01828666v1
Massively parallel molecular dynamics simulations with EAM potentials C. Becquart,K. Decker,C. Domain,J. Ruste,Y. Souffezet al. Radiation Effects and Defects in Solids, 2006, 142 (1-4), pp.9 - 21. ⟨10.1080/10420159708211592⟩ Article dans une revue hal-01828694v1
Dependence of radiation damage accumulation in iron on underlying models of displacement cascades and subsequent defect migration A. Souidi,C. Becquart,C. Domain,D. Terentyev,L. Malerbaet al. Journal of Nuclear Materials, 2006, 355 (1-3), pp.89 - 103. ⟨10.1016/j.jnucmat.2006.04.009⟩ Article dans une revue istex hal-01828337v1
Ab initio calculations of self-interstitial interaction and migration with solute atoms in bcc Fe E. Vincent,C. Becquart,C. Domain Journal of Nuclear Materials, 2006, 359 (3), pp.227 - 237. ⟨10.1016/j.jnucmat.2006.08.022⟩ Article dans une revue istex hal-01828366v1
Ab initio calculations of some atomic and point defect interactions involving C and N in Fe C. Becquart *,C. Domain,J. Foct Philosophical Magazine, 2006, 85 (4-7), pp.533 - 540. ⟨10.1080/02678370412331320152⟩ Article dans une revue hal-01828429v1
Comparison of algorithms for multiscale modelling of radiation damage in Fe–Cu alloys L. Malerba *,C. Becquart,M. Hou,C. Domain Philosophical Magazine, 2006, 85 (4-7), pp.417 - 428. ⟨10.1080/02678370412331320242⟩ Article dans une revue hal-01828431v1
Migration Energy of He in W Revisited by Ab Initio Calculations Charlotte Becquart,Christophe Domain Physical Review Letters, 2006, 97 (19), ⟨10.1103/PhysRevLett.97.196402⟩ Article dans une revue hal-01828351v1
Vacancy-solute complexes and their clusters in iron J. Kuriplach,O. Melikhova,C. Domain,C.S. Becquart,D. Kulikovet al. Applied Surface Science, 2006, 252 (9), pp.3303 - 3308. ⟨10.1016/j.apsusc.2005.08.075⟩ Article dans une revue hal-01828340v1
Solute interaction with point defects in α Fe during thermal ageing: A combined ab initio and atomic kinetic Monte Carlo approach E. Vincent,C. Becquart,C. Domain Journal of Nuclear Materials, 2006, 351 (1-3), pp.88 - 99. ⟨10.1016/j.jnucmat.2006.02.018⟩ Article dans une revue istex hal-01828332v1
Helium–self-interstitial atom interaction in α-iron Lisa Ventelon,Brian Wirth,Christophe Domain Journal of Nuclear Materials, 2006, 351 (1-3), pp.119 - 132. ⟨10.1016/j.jnucmat.2006.02.029⟩ Article dans une revue istex hal-01828360v1
The influence of the internal displacement cascades structure on the growth of point defect clusters in radiation environment C. Becquart,C. Domain,L. Malerba,M. Hou Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2005, 228 (1-4), pp.181 - 186. ⟨10.1016/j.nimb.2004.10.031⟩ Article dans une revue istex hal-01828382v1
Two-band modeling of α -prime phase formation in Fe-Cr Pär Olsson,Janne Wallenius,Christophe Domain,Kai Nordlund,Lorenzo Malerba Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2005, 72 (21), ⟨10.1103/PhysRevB.72.214119⟩ Article dans une revue hal-01828421v1
Interactions between dislocations and irradiation-induced defects in light water reactor pressure vessel steels Stéphanie Jumel,Jean-Claude Van Duysen,Jacky Ruste,Christophe Domain Journal of Nuclear Materials, 2005, 346 (2-3), pp.79 - 97. ⟨10.1016/j.jnucmat.2005.04.065⟩ Article dans une revue istex hal-01828697v1
Ab initio investigation of potential indium and gallium free chalcopyrite compounds for photovoltaic application J.M. Raulot,C. Domain,J.F. Guillemoles Journal of Physics and Chemistry of Solids, 2005, 66 (11), pp.2019 - 2023. ⟨10.1016/j.jpcs.2005.09.097⟩ Article dans une revue istex hal-01828384v1
Simulation of Screw Dislocation Motion in Iron by Molecular Dynamics Simulations Christophe Domain,Ghiath Monnet Physical Review Letters, 2005, 95 (21), ⟨10.1103/PhysRevLett.95.215506⟩ Article dans une revue hal-01828380v1
Fe-doped CuInSe 2 : An ab initio study of magnetic defects in a photovoltaic material Jean-Marc Raulot,Christophe Domain,Jean-François Guillemoles Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2005, 71 (3), ⟨10.1103/PhysRevB.71.035203⟩ Article dans une revue hal-01828374v1
Diffusion of phosphorus in α − Fe : An ab initio study C. Domain,C. Becquart Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2005, 71 (21), ⟨10.1103/PhysRevB.71.214109⟩ Article dans une revue hal-01828424v1
Ab initio calculations of vacancy interactions with solute atoms in bcc Fe E. Vincent,C. Becquart,C. Domain Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2005, 228 (1-4), pp.137 - 141. ⟨10.1016/j.nimb.2004.10.035⟩ Article dans une revue istex hal-01828670v1
Simulation of radiation damage in Fe alloys: an object kinetic Monte Carlo approach C. Domain,C.S. Becquart,L. Malerba Journal of Nuclear Materials, 2004, 335 (1), pp.121 - 145. ⟨10.1016/j.jnucmat.2004.07.037⟩ Article dans une revue istex hal-01828687v1
Atomic-scale ab initio study of the Zr–H system: II. Interaction of H with plane defects and mechanical properties C. Domain,R Besson,A. Legris Acta Materialia, 2004, 52 (6), pp.1495 - 1502. ⟨10.1016/j.actamat.2003.11.031⟩ Article dans une revue istex hal-01828671v1
Ab initio study of foreign interstitial atom (C, N) interactions with intrinsic point defects in α -Fe C. Domain,C. Becquart,J. Foct Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2004, 69 (14), ⟨10.1103/PhysRevB.69.144112⟩ Article dans une revue hal-01828685v1
Ab initio calculation of intrinsic point defects in CuInSe2 C. Domain,S. Laribi,S. Taunier,J.F. Guillemoles Journal of Physics and Chemistry of Solids, 2003, 64 (9-10), pp.1657 - 1663. ⟨10.1016/S0022-3697(03)00208-7⟩ Article dans une revue istex hal-01828696v1
Atomic-scale Ab-initio study of the Zr-H system: I. Bulk properties C. Domain,R. Besson,A. Legris Acta Materialia, 2002, 50 (13), pp.3513 - 3526. ⟨10.1016/S1359-6454(02)00173-8⟩ Article dans une revue istex hal-01828674v1
The role of Cu in displacement cascades examined by molecular dynamics C. Becquart,C. Domain,J.C. van Duysen,J.M. Raulot Journal of Nuclear Materials, 2001, 294 (3), pp.274 - 287. ⟨10.1016/S0022-3115(01)00421-4⟩ Article dans une revue istex hal-01828690v1
Ab initio calculations of defects in Fe and dilute Fe-Cu alloys C. Domain,C. Becquart Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2001, 65 (2), ⟨10.1103/PhysRevB.65.024103⟩ Article dans une revue hal-01828683v1
Atomic displacement cascade distributions in iron A. Souidi,M. Hou,C. Becquart,C. Domain Journal of Nuclear Materials, 2001, 295 (2-3), pp.179 - 188. ⟨10.1016/S0022-3115(01)00556-6⟩ Article dans une revue istex hal-01828681v1
Kinetic Monte Carlo simulations of cascades in Fe alloys C. Domain,C.S. Becquart,J.C. van Duysen MRS Online Proceedings Library, 2000, 650, ⟨10.1557/PROC-650-R3.25⟩ Article dans une revue hal-01828740v1
Influence of the interatomic potentials on molecular dynamics simulations of displacement cascades C Becquart,C. Domain,A. Legris,J.C van Duysen Journal of Nuclear Materials, 2000, 280 (1), pp.73 - 85. ⟨10.1016/S0022-3115(00)00029-5⟩ Article dans une revue istex hal-01828691v1
Atomic Scale Simulation of the Effect of Hydrogen on Dislocations in Zr C. Domain,A. Legris MRS Online Proceedings Library, 2000, 653, ⟨10.1557/PROC-653-Z3.8⟩ Article dans une revue hal-01828743v1
Molecular Dynamics simulations of displacement cascades: role of the interatomic potentials and of the potential hardening C. Becquart,C. Domain,A. Legris,J.C. Van Duysen MRS Online Proceedings Library, 2000, 650, ⟨10.1557/PROC-650-R3.24⟩ Article dans une revue hal-01828744v1
Kinetic Monte Carlo Simulations of Fecu Alloys C. Domain,C.S. Becquart,J.C. van Duysen MRS Online Proceedings Library, 1998, 540, ⟨10.1557/PROC-540-643⟩ Article dans une revue hal-01828736v1
Kinetic Monte Carlo Simulations of Fecu Alloys C. Domain,C.S. Becquart,J.C. Van Duysen MRS Online Proceedings Library, 1998, 538, ⟨10.1557/PROC-538-217⟩ Article dans une revue hal-01828738v1
The topological skeleton of cellular automaton dynamics Christophe Domain,Howard Gutowitz Physica D: Nonlinear Phenomena, 1997, 103 (1-4), pp.155 - 168. ⟨10.1016/S0167-2789(96)00258-8⟩ Article dans une revue istex hal-01828750v1
Computer simulations study of iron–copper alloy C. Becquart,C. Domain,J. Ruste,Y. Souffez,J. Turbatteet al. Radiation Effects and Defects in Solids, 1997, 141 (1-4), pp.325 - 336. ⟨10.1080/10420159708211579⟩ Article dans une revue hal-01828708v1

Communication dans un congrès (15)

Générateur thermoélectrique flexible imprimé sur papier à base de matériaux organiques et hybrides Salim Ferhat,Christophe Domain,Julien Vidal,Didier Noël,Bernard Ratieret al. Science et Tecnologie des Systèmes Pi-Conjugués, Oct 2017, Limoges, France Communication dans un congrès hal-01773632v1
Hydrogen accumulation around dislocation loops and edge dislocations: from atomistic to mesoscopic scales in BCC tungsten Andrée de Backer,Daniel R. Mason,Christophe Domain,Duc Nguyen-Manh,Mihai-Cosmin Marinicaet al. 16. International Conference on Plasma-Facing Materials and Components for Fusion Applications (PFMC-16), Forschungszentrum Jülich GmbH. DEU., May 2017, Neuss, Germany. ⟨10.1088/1402-4896/aa9400⟩ Communication dans un congrès hal-02737835v1
Atomic kinetic Monte Carlo modeling of multi-component Fe dilute alloys under irradiation J. Boisse,C. Domain,C.S. Becquart,A. de Backer,M. Chiapettoet al. SNA + MC 2013 - Joint International Conference on Supercomputing in Nuclear Applications + Monte Carlo, Jan 2013, Paris, France. pp.56 - 60, ⟨10.1051/snamc/201401311⟩ Communication dans un congrès hal-01828037v1
Self trapping and trap mutation in bulk tungsten: a DFT and Molecular Dynamics investigation Julien Boisse,Christophe Domain,Andrée de Backer,Charlotte Becquart MoD-PMI 2015, 1st International workshop on Models and Data for Plasma-Material Interaction in Fusion Devices, May 2015, Marseille, France Communication dans un congrès hal-03870711v1
Modeling Self trapping and Trap mutation in tungsten using DFT and Molecular Dynamics with an empirical potential based on DFT Julien Boisse,Andrée de Backer,Christophe Domain,Charlotte Becquart First International Computational Science and Engineering Conference (ICSEC), May 2015, Doha, Qatar Communication dans un congrès hal-03870716v1
Modeling self trapping and trap mutation in tungsten using DFT and Molecular Dynamics with an empirical potential based on DFT Julien Boisse,Christophe Domain,Andrée de Backer,Charlotte Becquart 2014 Joint ICTP-IAEA Conference on Models and Data for Plasma-Material Interaction in Fusion Devices, Nov 2014, Trieste,, Italy Communication dans un congrès hal-03870728v1
Modelling self trapping and trap mutation in tungsten using DFT and Molecular Dynamics with an empirical potential based on DFT Julien Boisse,Andrée de Backer,Christophe Domain,Charlotte Becquart MMM 2014 : The 7th International Conference on Multiscale Materials Modeling, Oct 2014, Berkeley / San Francisco, United States Communication dans un congrès hal-03870731v1
Trap mutation phenomena in tungsten Niklas Juslin,Charlotte Becquart,Julien Boisse,Christophe Domain,T. Faneyet al. IEA 2013 Fusion modeling program WorkShop, May 2013, Alicante, Spain Communication dans un congrès hal-03870772v1
Modeling of radiation response of materials at small length scale: irradiated tungsten and trap mutation Charlotte Becquart,Julien Boisse,M.F. Barthe,Christophe Domain,Andrée de Backer 2013 MRS Fall Meeting & Exhibit, Symposium ZZ on “Nanostructured Materials in Extreme Environments”,, Dec 2013, Boston, United States Communication dans un congrès hal-03870738v1
Theoretical and Experimental study of spatial effects in 800 keV 3He implantation in W Charlotte Becquart,M.F. Barthe,Christophe Ortiz,Christophe Domain,Julien Boisseet al. IEA 2013 Fusion modeling program WorkShop, May 2013, Alicante, Spain Communication dans un congrès hal-03870748v1
Monte Carlo simulation of spinodal decomposition in a ternary alloy within a three-phases field: comparison to phase transformation of ferrite in duplex stainless steels Jonathan Emo,Cristelle Pareige,Sébastien Saillet,Christophe Domain,Philippe Pareige SNA + MC 2013 - Joint International Conference on Supercomputing in Nuclear Applications + Monte Carlo, Jan 2013, Paris, France. ⟨10.1051/snamc/201401309⟩ Communication dans un congrès hal-01828040v1
Ab initio and Atomic kinetic Monte Carlo modelling of segregation in concentrated FeCrNi alloys J.B. Piochaud,C. Becquart,C. Domain,D. Caruge,C. Calvinet al. SNA + MC 2013 - Joint International Conference on Supercomputing in Nuclear Applications + Monte Carlo, Jan 2013, Paris, France. ⟨10.1051/snamc/201405107⟩ Communication dans un congrès hal-01828045v1
Outils de simulation à l'échelle atomique pour traiter la chimie et la plasticité C. Domain PlastOx 2007 - Mécanismes et Mécanique des Interactions Plasticité - Environnement, Jan 2007, Argelès-sur-Mer, France. ⟨10.1051/ptox/2009004⟩ Communication dans un congrès hal-01828269v1
Role of magnetic defects in the Fe doped CuInSe2 compounds by ab initio calculations Jean-Marc Raulot,Thierry Grosdidier,Christophe Domain,Jean-François Guillemoles International Congress in Materials Science and Engineering 2006, 2006, Algeria Communication dans un congrès hal-00168919v1
Theoretical first step towards an understanding of the uranyl ion sorption on the rutile $TiO_2$(110) face: A DFT periodic and cluster study H. Perron,C. Domain,J. Roques,R. Drot,E. Simoniet al. Migration, Sep 2005, Avignon, France. pp.601-607, ⟨10.1524/ract.2006.94.9-11.601⟩ Communication dans un congrès in2p3-00145732v1

Poster de conférence (2)

Self trapping and trap mutation of He in tungsten: A DFT and Molecular Dynamics study Julien Boisse,Christophe Domain,Andrée de Backer,Charlotte Becquart COSIRES 2014, Jun 2014, Alicante, Spain Poster de conférence hal-03870735v1
Behaviour of Carbon in Zircaloy and Zirconium in Solution N. Millard-Pinard,N. Bererd,Tomo Suzuki-Muresan,Abdesselam Abdelouas,Jérôme Roqueset al. 2014 MRS Fall Meeting, Nov 2014, Boston, United States Poster de conférence in2p3-01158384v1

Chapitre d'ouvrage (2)

Notions fondamentales : outils de modélisation, de l'atome à l'échelle macrocopique Charlotte Becquart,Christophe Domain,Marc Fivel,Michel Perez,Ludovic Thuinet C. Blanc; I. Aubert. Couplage "mécanique - microstructure - corrosion"., 2018, 978-1-78405-488-5 Chapitre d'ouvrage hal-02063680v1
Atomistic Modeling of Radiation Damage in Metallic Alloys Christophe Domain,Charlotte S Becquart,Andrée de Backer Handbook of Mechanics of Materials, 2018, ⟨10.1007/978-981-10-6855-3_21-1⟩ Chapitre d'ouvrage hal-01856256v1

Autre publication scientifique (1)

Nano-scale study of phase separation in ferrite of long term thermally aged Mo-beaaring duplex stainless steels - atom probe tomography and Monte Carlo Simulation Cristelle Pareige,Jonathan Emo,Sébastien Saillet,C Domain,Philippe Pareige Proceeding Fontevraud 8, 2014, pp.O-T05-091 Autre publication scientifique hal-02121924v1