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Christophe Domain

174
Documents

Publications

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 Swinburne
Nature Communications, 2023, 14 (1), pp.3003. ⟨10.1038/s41467-023-38729-6⟩
Article dans une revue hal-04163000v1
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Development of a plasticity-oriented interatomic potential for CrFeMnNi high entropy alloys

Ayobami Daniel Daramola , Giovanni Bonny , Gilles Adjanor , Christophe Domain , Ghiath Monnet
Computational Materials Science, 2022, 203, pp.111165. ⟨10.1016/j.commatsci.2021.111165⟩
Article dans une revue emse-03516753v1
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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. Domain
Journal of Physics: Condensed Matter, 2021, 33 (6), pp.065704. ⟨10.1088/1361-648X/abc6c3⟩
Article dans une revue hal-03159172v1
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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
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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
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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
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Study of solute segregation behavior at carbide–ferrite interfaces in 16MND5 welds

Leifeng Zhang , Bertrand Radiguet , Patrick Todeschini , Christophe Domain , Yang Shen
Journal of Nuclear Materials, 2020, 542, pp.152531. ⟨10.1016/j.jnucmat.2020.152531⟩
Article dans une revue hal-03115392v1

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

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. Domain
Materials today energy, 2020, 17, pp.100472. ⟨10.1016/j.mtener.2020.100472⟩
Article dans une revue hal-03115399v1

A DFT-driven multifidelity framework for constructing efficient energy models for atomic-scale simulations

Luca Messina , Alessio Quaglino , Alexandra Goryaeva , Mihai-Cosmin Marinica , Christophe Domain
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
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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
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Flexible thermoelectric device based on TiS2(HA)x n-type nanocomposite printed on paper

Salim Ferhat , Christophe Domain , Julien Vidal , Didier Noël , Bernard Ratier
Organic Electronics, 2019, 68, pp.256-263. ⟨10.1016/j.orgel.2019.02.031⟩
Article dans une revue hal-02062112v1
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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
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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 Shen
Journal of Nuclear Materials, 2019, 523, pp.434-443. ⟨10.1016/j.jnucmat.2019.06.002⟩
Article dans une revue hal-02172714v1

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

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. Olsson
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 hal-01828005v1

Anti-aging treatment of nuclear power plant steel

Yan Zhao , Binyan He , Sébastien Saillet , Christophe Domain , Patrick Le Delliou
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 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 hal-01828006v1

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 Ratier
Sustainable Energy & Fuels, 2018, 2, 2018, pp.387-395. ⟨10.1039/C7SE00313G⟩
Article dans une revue hal-01773626v1

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. Marinica
Nuclear Fusion, 2018, 58 (1), ⟨10.1088/1741-4326/aa8e0c⟩
Article dans une revue hal-01828011v1

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. Simeone
Journal of Physics: Condensed Matter, 2018, 30 (40), ⟨10.1088/1361-648X/aadb4e⟩
Article dans une revue hal-02623707v1

Interatomic potential to study the formation of NiCr clusters in high Cr ferritic steels

G. Bonny , A. Bakaev , P. Olsson , C. Domain , E.E. Zhurkin
Journal of Nuclear Materials, 2017, 484, pp.42 - 50. ⟨10.1016/j.jnucmat.2016.11.017⟩
Article dans une revue hal-01828012v1
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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

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. Marinica
Physica Scripta, 2017, T170, ⟨10.1088/1402-4896/aa9400⟩
Article dans une revue hal-01828016v1

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 Gilbert
Nuclear Fusion, 2017, 57 (9), ⟨10.1088/1741-4326/aa5e8d⟩
Article dans une revue hal-01828019v1
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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

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

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

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

Density functional theory-based cluster expansion to simulate thermal annealing in FeCrW alloys

G. Bonny , N. Castin , C. Domain , P. Olsson , B. Verreyken
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

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

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), 2015, 12 (1-2), pp.20 - 24. ⟨10.1002/pssc.201400143⟩
Article dans une revue 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-Leclerc
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

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

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-Leclerc
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
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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

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

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

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
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Sintering of ferritic and austenitic nanopowders using Spark Plasma Sintering

Bassem Mouawad , Damien Fabrègue , Michel Perez , Martine Blat-Yrieix , Frédéric Delabrouille
Metallurgical Research & Technology, 2014, 111 (5), pp.305-310. ⟨10.1051/metal/2014041⟩
Article dans une revue hal-01540102v1

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 hal-01828039v1

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

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

First-principles study of point defects in an fcc Fe-10Ni-20Cr model alloy

J. Piochaud , C. Klaver , G. Adjanor , P. Olsson , C. Domain
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

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

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

Atomic structure of grain boundaries in iron modeled using the atomic density function

O. Kapikranian , Helena Zapolsky , C. Domain , Renaud Patte , Cristelle Pareige
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2014, 89 (1), ⟨10.1103/PhysRevB.89.014111⟩
Article dans une revue hal-01828041v1

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

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

Recent progress in research on tungsten materials for nuclear fusion applications in Europe

M. Rieth , S. Dudarev , S. Gonzalez de Vicente , J. Aktaa , T. Ahlgren
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 hal-01828088v1

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. Legris
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 hal-01830633v1

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

TEM investigations of the oxide layers formed on a 316L alloy in simulated PWR environment

R. Soulas , M. Cheynet , E. Rauch , T. Neisius , L. Legras
Journal of Materials Science, 2013, 48 (7), pp.2861-2871. ⟨10.1007/s10853-012-6975-0⟩
Article dans une revue hal-00839666v1

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 hal-01828092v1

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 hal-01830641v1

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

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

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. Perron
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 in2p3-00723823v1

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 hal-01828094v1

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

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 hal-01822580v1

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

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. Olsson
Acta Materialia, 2011, 59 (6), pp.2404 - 2411. ⟨10.1016/j.actamat.2010.12.038⟩
Article dans une revue hal-01828099v1

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

Review on the EFDA programme on tungsten materials technology and science

M. Rieth , L. Boutard , S. Dudarev , T. Ahlgren , S. Antusch
Journal of Nuclear Materials, 2011, 417 (1-3), pp.463 - 467. ⟨10.1016/j.jnucmat.2011.01.075⟩
Article dans une revue 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. Simoni
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 in2p3-00616810v1

On the correlation between primary damage and long-term nanostructural evolution in iron under irradiation

A. Souidi , M. Hou , C. Becquart , L. Malerba , C. Domain
Journal of Nuclear Materials, 2011, 419 (1-3), pp.122 - 133. ⟨10.1016/j.jnucmat.2011.08.049⟩
Article dans une revue hal-01828101v1

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. Sarkar
Journal of Nuclear Materials, 2010, 403 (1-3), pp.89 - 100. ⟨10.1016/j.jnucmat.2010.06.004⟩
Article dans une revue 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. Domain
Journal of Nuclear Materials, 2010, 406 (1), pp.7 - 18. ⟨10.1016/j.jnucmat.2010.05.016⟩
Article dans une revue hal-01828115v1

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

Comparison of empirical interatomic potentials for iron applied to radiation damage studies

L. Malerba , C. Marinica , N. Anento , C. Björkas , H. Nguyen
Journal of Nuclear Materials, 2010, 406 (1), pp.19 - 38. ⟨10.1016/j.jnucmat.2010.05.017⟩
Article dans une revue hal-01828113v1

Atomistic Kinetic Monte Carlo studies of microchemical evolutions driven by diffusion processes under irradiation

F. Soisson , C. Becquart , N. Castin , C. Domain , L. Malerba
Journal of Nuclear Materials, 2010, 406 (1), pp.55 - 67. ⟨10.1016/j.jnucmat.2010.05.018⟩
Article dans une revue hal-01828143v1

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. Domain
Journal of Nuclear Materials, 2010, 406 (1), pp.39 - 54. ⟨10.1016/j.jnucmat.2010.05.019⟩
Article dans une revue 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

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 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 hal-01828105v1

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 hal-01828137v1

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

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 hal-01828154v1

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

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 hal-01828147v1
Image document

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

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

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 hal-01828150v1

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 hal-01828292v1

Theoretical Investigation of the Uranyl Ion Sorption on the Rutile TiO2(110) Face

H. Perron , J. Roques , C. Domain , R. Drot , E. Simoni
Inorganic Chemistry, 2008, 47, pp.10991-10997. ⟨10.1021/ic801246k⟩
Article dans une revue in2p3-00422532v1

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 hal-01828300v1

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 hal-01828283v1

Self-Trapped Interstitial-Type Defects in Iron

D. Terentyev , C. Klaver , P. Olsson , C. Marinica , F. Willaime
Physical Review Letters, 2008, 100 (14), ⟨10.1103/PhysRevLett.100.145503⟩
Article dans une revue hal-01828303v1

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

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

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 hal-01828295v1

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. Veilly
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 in2p3-00422487v1

Atomistic modeling of an Fe system with a small concentration of C

Charlotte Becquart , Jean-Marc Raulot , Guy Bencteux , Christophe Domain , Michel Perez
Computational Materials Science, 2007, 40, pp.119-129
Article dans une revue hal-00168918v1

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 hal-01828328v1

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 hal-01828310v1

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
Image document

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. Roques
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
Image document

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. Simoni
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2007, 117, pp.565-574. ⟨10.1007/s00214-006-0189-y⟩
Article dans une revue in2p3-00142837v1

Artificial intelligence applied to atomistic kinetic Monte Carlo simulations in Fe–Cu alloys

S. Becquart , M. Raulot , G. Bencteux , C. Domain , Michel Perez
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 hal-01828313v1

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
Journal of Chemical Physics, 2007, 126 (15), ⟨10.1063/1.2717168⟩
Article dans une revue hal-01828320v1

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 hal-01828317v1

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 hal-01828326v1

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. Simoni
Journal of Physics: Condensed Matter, 2007, 19, pp.346219. ⟨10.1088/0953-8984/19/34/346219⟩
Article dans une revue in2p3-00273713v1

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 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 hal-01828360v1

Vacancy-solute complexes and their clusters in iron

J. Kuriplach , O. Melikhova , C. Domain , C.S. Becquart , D. Kulikov
Applied Surface Science, 2006, 252 (9), pp.3303 - 3308. ⟨10.1016/j.apsusc.2005.08.075⟩
Article dans une revue hal-01828340v1

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

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. Malerba
Journal of Nuclear Materials, 2006, 351 (1-3), pp.39 - 46. ⟨10.1016/j.jnucmat.2006.02.022⟩
Article dans une revue 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. Malerba
Journal of Nuclear Materials, 2006, 351 (1-3), pp.1 - 19. ⟨10.1016/j.jnucmat.2006.02.025⟩
Article dans une revue 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

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

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. Malerba
Journal of Nuclear Materials, 2006, 355 (1-3), pp.89 - 103. ⟨10.1016/j.jnucmat.2006.04.009⟩
Article dans une revue 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 hal-01828366v1

Massively parallel molecular dynamics simulations with EAM potentials

C. Becquart , K. Decker , C. Domain , J. Ruste , Y. Souffez
Radiation Effects and Defects in Solids, 2006, 142 (1-4), pp.9 - 21. ⟨10.1080/10420159708211592⟩
Article dans une revue hal-01828694v1

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

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. Simoni
Inorganic Chemistry, 2006, 45, pp.6568-6570. ⟨10.1021/ic0603914⟩
Article dans une revue in2p3-00211960v1

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

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 hal-01828670v1

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 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 hal-01828384v1

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

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

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 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

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

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 hal-01828671v1

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 hal-01828687v1

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 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 hal-01828674v1

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 hal-01828681v1

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

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 hal-01828690v1

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 Proceedings, 2000, 650, ⟨10.1557/PROC-650-R3.24⟩
Article dans une revue hal-01828744v1

Kinetic Monte Carlo simulations of cascades in Fe alloys

C. Domain , C.S. Becquart , J.C. van Duysen
MRS Proceedings, 2000, 650, ⟨10.1557/PROC-650-R3.25⟩
Article dans une revue hal-01828740v1

Atomic Scale Simulation of the Effect of Hydrogen on Dislocations in Zr

C. Domain , A. Legris
MRS Proceedings, 2000, 653, ⟨10.1557/PROC-653-Z3.8⟩
Article dans une revue hal-01828743v1

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 hal-01828691v1

Kinetic Monte Carlo Simulations of Fecu Alloys

C. Domain , C.S. Becquart , J.C. Van Duysen
MRS Proceedings, 1998, 538, ⟨10.1557/PROC-538-217⟩
Article dans une revue hal-01828738v1

Kinetic Monte Carlo Simulations of Fecu Alloys

C. Domain , C.S. Becquart , J.C. van Duysen
MRS Proceedings, 1998, 540, ⟨10.1557/PROC-540-643⟩
Article dans une revue hal-01828736v1

Computer simulations study of iron–copper alloy

C. Becquart , C. Domain , J. Ruste , Y. Souffez , J. Turbatte
Radiation Effects and Defects in Solids, 1997, 141 (1-4), pp.325 - 336. ⟨10.1080/10420159708211579⟩
Article dans une revue hal-01828708v1

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 hal-01828750v1

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 Marinica
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

Générateur thermoélectrique flexible imprimé sur papier à base de matériaux organiques et hybrides

Salim Ferhat , Christophe Domain , Julien Vidal , Didier Noël , Bernard Ratier
Science et Tecnologie des Systèmes Pi-Conjugués, Oct 2017, Limoges, France
Communication dans un congrès hal-01773632v1

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

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

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

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

Ab initio and Atomic kinetic Monte Carlo modelling of segregation in concentrated FeCrNi alloys

J.B. Piochaud , C. Becquart , C. Domain , D. Caruge , C. Calvin
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

Theoretical and Experimental study of spatial effects in 800 keV 3He implantation in W

Charlotte Becquart , M.F. Barthe , Christophe Ortiz , Christophe Domain , Julien Boisse
IEA 2013 Fusion modeling program WorkShop, May 2013, Alicante, Spain
Communication dans un congrès hal-03870748v1

Trap mutation phenomena in tungsten

Niklas Juslin , Charlotte Becquart , Julien Boisse , Christophe Domain , T. Faney
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

Atomic kinetic Monte Carlo modeling of multi-component Fe dilute alloys under irradiation

J. Boisse , C. Domain , C.S. Becquart , A. de Backer , M. Chiapetto
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

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

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. Simoni
Migration, Sep 2005, Avignon, France. pp.601-607, ⟨10.1524/ract.2006.94.9-11.601⟩
Communication dans un congrès in2p3-00145732v1