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Compact A15 Frank-Kasper nano-phases at the origin of dislocation loops in face-centred cubic metals
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Development of a plasticity-oriented interatomic potential for CrFeMnNi high entropy alloys
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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
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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
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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
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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
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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
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Study of solute segregation behavior at carbide–ferrite interfaces in 16MND5 welds
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Thermodynamic modeling of G-phase and assessment of phase stabilities in reactor pressure vessel steels and cast duplex stainless steels
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Article dans une revue
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The dominant mechanisms for the formation of solute-rich clusters in low-Cu steels under irradiation
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A DFT-driven multifidelity framework for constructing efficient energy models for atomic-scale simulations
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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
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Flexible thermoelectric device based on TiS2(HA)x n-type nanocomposite printed on paper
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The impact of alloying elements on the precipitation stability and kinetics in iron based alloys: An atomistic study
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hal-02062109
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A new scenario for ‹c› vacancy loop formation in zirconium based on atomic-scale modeling
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Investigation of solute segregation behavior using a correlative EBSD/TKD/APT methodology in a 16MND5 weld
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Hardening Contribution of G-Phase Nanoparticle Precipitation and Spinodal Decomposition in Aged Duplex Stainless Steel Studied by APT Analysis and Micro-Hardness of Ferrite
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Anti-aging treatment of nuclear power plant steel
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A DFT study of the stability of SIAs and small SIA clusters in the vicinity of solute atoms in Fe
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Article dans une revue
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Organic thermoelectric devices based on a stable n-type nanocomposite printed on paper
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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
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Multiscale modelling of the interaction of hydrogen with interstitial defects and dislocations in BCC tungsten
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A model of defect cluster creation in fragmented cascades in metals based on morphological analysis
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Advanced atomistic models for radiation damage in Fe-based alloys: Contributions and future perspectives from artificial neural networks
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Hydrogen accumulation around dislocation loops and edge dislocations: from atomistic to mesoscopic scales in BCC tungsten
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Introducing $ab\ initio$ based neural networks for transition-rate prediction in kinetic Monte Carlo simulations
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Recent advances in modeling and simulation of the exposure and response of tungsten to fusion energy conditions
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hal-01828019
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Influence of Ni, Mo and Mn Content on the G-Phase Precipitation and Spinodal Decomposition of Aged Duplex Stainless Steels.
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Improved atomistic Monte Carlo models based on $ab-initio$ -trained neural networks: Application to FeCu and FeCr alloys
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Interatomic potential to study the formation of NiCr clusters in high Cr ferritic steels
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Density functional theory-based cluster expansion to simulate thermal annealing in FeCrW alloys
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Carbon diffusion in bulk hcp zirconium: A multi-scale approach
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Non-equilibrium properties of interatomic potentials in cascade simulations in tungsten
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Ab initio threshold displacement energies in iron
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Article dans une revue
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Kinetic Monte Carlo simulation of nanostructural evolution under post-irradiation annealing in dilute FeMnNi
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Modeling of helium bubble nucleation and growth in austenitic stainless steels using an Object Kinetic Monte Carlo method
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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⟩
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Nanostructure evolution under irradiation of Fe(C)MnNi model alloys for reactor pressure vessel steels
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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⟩
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Modeling of helium bubble nucleation and growth in austenitic stainless steels using an Object Kinetic Monte Carlo method
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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⟩
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Molecular dynamics investigation of the interaction of an edge dislocation with Frank loops in Fe―Ni 10―Cr 20 alloy
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Journal of Nuclear Materials, 2015, 465, pp.301--310
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Kinetics of G-phase precipitation and spinodal decomposition in very long aged ferrite of a Mo-free duplex stainless steel
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Article dans une revue
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Numerical evaluation of dislocation loop sink strengths: A phase-field approach
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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-01828031
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Long term simulation of point defect cluster size distributions from atomic displacement cascades in Fe 70 Cr 20 Ni 10
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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⟩
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Recent radiation damage studies and developments of the Marlowe code
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hal-01828043
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Quantitative phase field model for dislocation sink strength calculations
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Article dans une revue
hal-01828046
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Modelling self trapping and trap mutation in tungsten using DFT and Molecular Dynamics with an empirical potential based on DFT
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Article dans une revue
hal-01486154
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Exact ab initio transport coefficients in bcc Fe − X ( X = Cr , Cu , Mn , Ni , P , Si ) dilute alloys
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Article dans une revue
hal-01828042
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First-principles study of point defects in an fcc Fe-10Ni-20Cr model alloy
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Influence of shape anisotropy of self-interstitials on dislocation sink efficiencies in Zr: Multiscale modeling
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Article dans une revue
hal-01828047
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Vacancy migration energy dependence on local chemical environment in Fe–Cr alloys: A Density Functional Theory study
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Article dans une revue
hal-01828038
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Kinetics of secondary phase precipitation during spinodal decomposition in duplex stainless steels: A kinetic Monte Carlo model – Comparison with atom probe tomography experiments
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Article dans une revue
hal-01828039
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Sintering of ferritic and austenitic nanopowders using Spark Plasma Sintering
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Modeling of the self trapping of helium and the trap mutation in tungsten using DFT and empirical potentials based on DFT
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Atomic structure of grain boundaries in iron modeled using the atomic density function
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Spatial effects in the 800keV 3He implantation in W followed by isochronal annealing at 900K
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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⟩
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Recent progress in research on tungsten materials for nuclear fusion applications in Europe
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Mechanisms of radiation strengthening in Fe–Cr alloys as revealed by atomistic studies
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hal-01830633
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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
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Article dans une revue
hal-01828090
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Self-interstitial defects in hexagonal close packed metals revisited: Evidence for low-symmetry configurations in Ti, Zr, and Hf
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TEM investigations of the oxide layers formed on a 316L alloy in simulated PWR environment
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hal-00839666
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Mechanisms of radiation strengthening in Fe–Cr alloys as revealed by atomistic studies
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Article dans une revue
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hal-01828092
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Sink strength calculations of dislocations and loops using OKMC
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Article dans une revue
hal-01828089
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Effect of the applied stress and the friction stress on the dislocation dissociation in face centered cubic metals
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Materials Letters, 2013, 97, pp.93--96
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hal-01540106
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Effect of the applied stress and the friction stress on the dislocation dissociation in face centered cubic metals
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hal-01830641
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First-principles molecular dynamics simulations of uranyl ion interaction at the water/rutile TiO2(110) interface
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in2p3-00723823
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Formation and evolution of MnNi clusters in neutron irradiated dilute Fe alloys modelled by a first principle-based AKMC method
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Article dans une revue
hal-01828096
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Atomistic modeling of carbon Cottrell atmospheres in bcc iron
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Journal of Physics: Condensed Matter, 2012, 25 (2), pp.025401
Article dans une revue
hal-01540113
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Structure of nanoscale copper precipitates in neutron-irradiated Fe-Cu-C alloys
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Article dans une revue
hal-01828095
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Solute–point defect interactions in bcc systems: Focus on first principles modelling in W and RPV steels
C. Becquart
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Article dans une revue
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hal-01828094
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Kinetic study of phase transformation in a highly concentrated Fe–Cr alloy: Monte Carlo simulation versus experiments
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hal-01828099
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Modeling Microstructure and Irradiation Effects
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Article dans une revue
hal-01828100
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Comparison of atomistic and elasticity approaches for carbon diffusion near line defects in α-iron
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Acta Materialia, 2011, 59 (18), pp.6963--6974
Article dans une revue
hal-01540115
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Investigation of hydrogen bonds and temperature effects on the water monolayer adsorption on rutile TiO2 (110) by first-principles molecular dynamics simulations
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in2p3-00616810
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Review on the EFDA programme on tungsten materials technology and science
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Article dans une revue
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hal-01828097
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Comparison of atomistic and elasticity approaches for carbon diffusion near line defects in alpha-iron
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Article dans une revue
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hal-01822580
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On the correlation between primary damage and long-term nanostructural evolution in iron under irradiation
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Article dans une revue
hal-01828101
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Effect of the stress field of an edge dislocation on carbon diffusion in alpha-iron: Coupling molecular statics and atomistic kinetic Monte Carlo
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Article dans une revue
hal-01822663
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Atomistic Kinetic Monte Carlo studies of microchemical evolutions driven by diffusion processes under irradiation
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Article dans une revue
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hal-01828143
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Interaction of a 1 2 ⟨ 111 ⟩ screw dislocation with Cr precipitates in bcc Fe studied by molecular dynamics
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Article dans une revue
hal-01828144
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Modeling the long-term evolution of the primary damage in ferritic alloys using coarse-grained methods
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Article dans une revue
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hal-01828107
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Isochronal annealing of electron-irradiated dilute Fe alloys modelled by an ab initio based AKMC method: Influence of solute–interstitial cluster properties
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Article dans une revue
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hal-01828111
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Overview of the RPV-2 and INTERN-1 packages: From primary damage to microplasticity
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Article dans une revue
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hal-01828105
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Ab initio study of solute transition-metal interactions with point defects in bcc Fe
P. Olsson
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Article dans une revue
hal-01828116
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Introducing chemistry in atomistic kinetic Monte Carlo simulations of Fe alloys under irradiation
C. Becquart
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Article dans une revue
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hal-01828137
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Microstructural evolution of irradiated tungsten: Ab initio parameterisation of an OKMC model
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Article dans une revue
hal-01828108
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Comparison of empirical interatomic potentials for iron applied to radiation damage studies
L. Malerba
,
C. Marinica
,
N. Anento
,
C. Björkas
,
H. Nguyen
et al.
Article dans une revue
istex
hal-01828113
v1
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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
et al.
Article dans une revue
istex
hal-01828115
v1
|
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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
et al.
Article dans une revue
istex
hal-01828110
v1
|
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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-00511286
v1
|
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Ferromagnetic Compounds for High Efficiency Photovoltaic Conversion: The Case of AlP:Cr
P. Olsson
,
C. Domain
,
J.-F. Guillemoles
Article dans une revue
hal-01828155
v1
|
|
An object Kinetic Monte Carlo Simulation of the dynamics of helium and point defects in tungsten
C. Becquart
,
C. Domain
Article dans une revue
istex
hal-01828147
v1
|
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MOLECULAR DDYNAMICS SIMULATIONS OF DAMAGE AND PLASTICITY - THE ROLE OF AB INITIO CALCULATIONS IN THE DEVELOPMENT OF INTERATOMIC POTENTIALS.
Charlotte Becquart
,
Christophe Domain
Article dans une revue
hal-00541678
v1
|
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Short- and long-range orders in Fe–Cr: A Monte Carlo study
Cristelle Pareige
,
C. Domain
,
P. Olsson
Article dans une revue
hal-01828256
v1
|
|
Atomic and dislocation dynamics simulations of plastic deformation in reactor pressure vessel steel
Ghiath Monnet
,
Christophe Domain
,
Sylvain Queyreau
,
Sanae Naamane
,
Benoit Devincre
Article dans une revue
istex
hal-01828154
v1
|
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A density functional theory assessment of the clustering behaviour of He and H in tungsten
C. Becquart
,
C. Domain
Article dans une revue
istex
hal-01828150
v1
|
|
Relevancy of displacement cascades features to the long term point defect cluster growth
M. Hou
,
A. Souidi
,
C. Becquart
,
C. Domain
,
L. Malerba
Article dans une revue
istex
hal-01828283
v1
|
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Self-Trapped Interstitial-Type Defects in Iron
D. Terentyev
,
C. Klaver
,
P. Olsson
,
C. Marinica
,
F. Willaime
et al.
Article dans une revue
hal-01828303
v1
|
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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
Article dans une revue
hal-01828277
v1
|
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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
Article dans une revue
istex
hal-01828300
v1
|
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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
Article dans une revue
istex
hal-01828292
v1
|
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Theoretical Investigation of the Uranyl Ion Sorption on the Rutile TiO2(110) Face
H. Perron
,
J. Roques
,
C. Domain
,
R. Drot
,
E. Simoni
et al.
Article dans une revue
istex
in2p3-00422532
v1
|
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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
et al.
Article dans une revue
istex
in2p3-00422487
v1
|
|
Towards improved photovoltaic conversion using dilute magnetic semiconductors (abstract only)
Pär Olsson
,
J-F Guillemoles
,
C. Domain
Article dans une revue
hal-01828290
v1
|
|
Precipitation of the FeCu system: A critical review of atomic kinetic Monte Carlo simulations
E. Vincent
,
C. Becquart
,
Cristelle Pareige
,
Philippe Pareige
,
C. Domain
Article dans une revue
istex
hal-01828295
v1
|
|
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-01828310
v1
|
|
Ab initio study of Cr interactions with point defects in bcc Fe
Pär Olsson
,
Christophe Domain
,
Janne Wallenius
Article dans une revue
hal-01828323
v1
|
|
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
et al.
Article dans une revue
in2p3-00134763
v1
|
|
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-01828328
v1
|
|
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
et al.
Article dans une revue
istex
in2p3-00142837
v1
|
|
Artificial intelligence applied to atomistic kinetic Monte Carlo simulations in Fe–Cu alloys
S. Becquart
,
M. Raulot
,
G. Bencteux
,
C. Domain
,
Michel Perez
et 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-01828313
v1
|
|
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
Article dans une revue
hal-01828320
v1
|
|
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-01828317
v1
|
|
Atomistic modeling of an Fe system with a small concentration of C
Charlotte Becquart
,
Jean-Marc Raulot
,
Guy Bencteux
,
Christophe Domain
,
Michel Perez
et al.
Computational Materials Science, 2007, 40, pp.119-129
Article dans une revue
hal-00168918
v1
|
|
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
et al.
Article dans une revue
in2p3-00273713
v1
|
|
Object kinetic Monte Carlo study of sink strengths
Lorenzo Malerba
,
Charlotte Becquart
,
Christophe Domain
Article dans une revue
istex
hal-01828326
v1
|
|
Ab initio atomic-scale determination of point-defect structure in hcp zirconium
C.S. Becquart *
,
A. Souidi
,
M. Hou
,
C. Domain
,
A. Legris
Article dans une revue
hal-01828666
v1
|
|
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
et al.
Article dans une revue
istex
hal-01828345
v1
|
|
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
et al.
Article dans une revue
istex
hal-01828358
v1
|
|
Ab initio atomic-scale modelling of iodine effects on hcp zirconium
A. Legris *
,
C. Domain
Article dans une revue
hal-01828669
v1
|
|
Vacancy-solute complexes and their clusters in iron
J. Kuriplach
,
O. Melikhova
,
C. Domain
,
C.S. Becquart
,
D. Kulikov
et al.
Article dans une revue
hal-01828340
v1
|
|
Migration Energy of He in W Revisited by Ab Initio Calculations
Charlotte Becquart
,
Christophe Domain
Article dans une revue
hal-01828351
v1
|
|
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
et al.
Article dans une revue
istex
hal-01828337
v1
|
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Massively parallel molecular dynamics simulations with EAM potentials
C. Becquart
,
K. Decker
,
C. Domain
,
J. Ruste
,
Y. Souffez
et al.
Article dans une revue
hal-01828694
v1
|
|
Ab initio calculations of some atomic and point defect interactions involving C and N in Fe
C. Becquart *
,
C. Domain
,
J. Foct
Article dans une revue
hal-01828429
v1
|
|
Comparison of algorithms for multiscale modelling of radiation damage in Fe–Cu alloys
L. Malerba *
,
C. Becquart
,
M. Hou
,
C. Domain
Article dans une revue
hal-01828431
v1
|
|
Ab initio calculations of self-interstitial interaction and migration with solute atoms in bcc Fe
E. Vincent
,
C. Becquart
,
C. Domain
Article dans une revue
istex
hal-01828366
v1
|
|
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
et al.
Article dans une revue
istex
in2p3-00211960
v1
|
|
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
Article dans une revue
istex
hal-01828332
v1
|
|
Helium–self-interstitial atom interaction in α-iron
Lisa Ventelon
,
Brian Wirth
,
Christophe Domain
Article dans une revue
istex
hal-01828360
v1
|
|
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
Article dans une revue
hal-01828662
v1
|
|
Ab initio investigation of potential indium and gallium free chalcopyrite compounds for photovoltaic application
J.M. Raulot
,
C. Domain
,
J.F. Guillemoles
Article dans une revue
istex
hal-01828384
v1
|
|
Interactions between dislocations and irradiation-induced defects in light water reactor pressure vessel steels
Stéphanie Jumel
,
Jean-Claude Van Duysen
,
Jacky Ruste
,
Christophe Domain
Article dans une revue
istex
hal-01828697
v1
|
|
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-01828670
v1
|
|
Simulation of Screw Dislocation Motion in Iron by Molecular Dynamics Simulations
Christophe Domain
,
Ghiath Monnet
Article dans une revue
hal-01828380
v1
|
|
Diffusion of phosphorus in α − Fe : An ab initio study
C. Domain
,
C. Becquart
Article dans une revue
hal-01828424
v1
|
|
Fe-doped CuInSe 2 : An ab initio study of magnetic defects in a photovoltaic material
Jean-Marc Raulot
,
Christophe Domain
,
Jean-François Guillemoles
Article dans une revue
hal-01828374
v1
|
|
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-01828382
v1
|
|
Two-band modeling of α -prime phase formation in Fe-Cr
Pär Olsson
,
Janne Wallenius
,
Christophe Domain
,
Kai Nordlund
,
Lorenzo Malerba
Article dans une revue
hal-01828421
v1
|
|
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
Article dans une revue
istex
hal-01828671
v1
|
|
Simulation of radiation damage in Fe alloys: an object kinetic Monte Carlo approach
C. Domain
,
C.S. Becquart
,
L. Malerba
Article dans une revue
istex
hal-01828687
v1
|
|
Ab initio study of foreign interstitial atom (C, N) interactions with intrinsic point defects in α -Fe
C. Domain
,
C. Becquart
,
J. Foct
Article dans une revue
hal-01828685
v1
|
|
Ab initio calculation of intrinsic point defects in CuInSe2
C. Domain
,
S. Laribi
,
S. Taunier
,
J.F. Guillemoles
Article dans une revue
istex
hal-01828696
v1
|
|
Atomic-scale Ab-initio study of the Zr-H system: I. Bulk properties
C. Domain
,
R. Besson
,
A. Legris
Article dans une revue
istex
hal-01828674
v1
|
|
Atomic displacement cascade distributions in iron
A. Souidi
,
M. Hou
,
C. Becquart
,
C. Domain
Article dans une revue
istex
hal-01828681
v1
|
|
Ab initio calculations of defects in Fe and dilute Fe-Cu alloys
C. Domain
,
C. Becquart
Article dans une revue
hal-01828683
v1
|
|
The role of Cu in displacement cascades examined by molecular dynamics
C. Becquart
,
C. Domain
,
J.C. van Duysen
,
J.M. Raulot
Article dans une revue
istex
hal-01828690
v1
|
|
Kinetic Monte Carlo simulations of cascades in Fe alloys
C. Domain
,
C.S. Becquart
,
J.C. van Duysen
Article dans une revue
hal-01828740
v1
|
|
Influence of the interatomic potentials on molecular dynamics simulations of displacement cascades
C Becquart
,
C. Domain
,
A. Legris
,
J.C van Duysen
Article dans une revue
istex
hal-01828691
v1
|
|
Atomic Scale Simulation of the Effect of Hydrogen on Dislocations in Zr
C. Domain
,
A. Legris
Article dans une revue
hal-01828743
v1
|
|
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
Article dans une revue
hal-01828744
v1
|
|
Kinetic Monte Carlo Simulations of Fecu Alloys
C. Domain
,
C.S. Becquart
,
J.C. van Duysen
Article dans une revue
hal-01828736
v1
|
|
Kinetic Monte Carlo Simulations of Fecu Alloys
C. Domain
,
C.S. Becquart
,
J.C. Van Duysen
Article dans une revue
hal-01828738
v1
|
|
The topological skeleton of cellular automaton dynamics
Christophe Domain
,
Howard Gutowitz
Article dans une revue
istex
hal-01828750
v1
|
|
Computer simulations study of iron–copper alloy
C. Becquart
,
C. Domain
,
J. Ruste
,
Y. Souffez
,
J. Turbatte
et al.
Article dans une revue
hal-01828708
v1
|