|
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
Journal articles
hal-04163000v1
|
|
Development of a plasticity-oriented interatomic potential for CrFeMnNi high entropy alloys
Ayobami Daniel Daramola
,
Giovanni Bonny
,
Gilles Adjanor
,
Christophe Domain
,
Ghiath Monnet
Journal articles
emse-03516753v1
|
|
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 articles
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 articles
hal-03159172v1
|
|
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 articles
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 articles
hal-03159140v1
|
|
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 articles
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
Journal articles
hal-03115399v1
|
|
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
,
C. Pareige
Journal articles
hal-02943308v1
|
|
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⟩
Journal articles
hal-03159191v1
|
|
Study of solute segregation behavior at carbide–ferrite interfaces in 16MND5 welds
Leifeng Zhang
,
Bertrand Radiguet
,
Patrick Todeschini
,
Christophe Domain
,
Yang Shen
Journal articles
hal-03115392v1
|
|
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
,
C. Pareige
Journal articles
hal-02061837v1
|
|
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 articles
hal-02172714v1
|
|
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
Journal articles
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
Journal articles
hal-02062109v1
|
|
Flexible thermoelectric device based on TiS2(HA)x n-type nanocomposite printed on paper
Salim Ferhat
,
Christophe Domain
,
Julien Vidal
,
Didier Noël
,
Bernard Ratier
Journal articles
hal-02062112v1
|
|
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
Journal articles
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 articles
hal-02623707v1
|
|
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
Journal articles
hal-01856544v1
|
|
Anti-aging treatment of nuclear power plant steel
Yan Zhao
,
Binyan He
,
Sébastien Saillet
,
Christophe Domain
,
Patrick Le Delliou
Journal articles
hal-01858543v1
|
|
Solute – 〈111〉 interstitial loop interaction in α-Fe: A DFT study
C. Domain
,
C.S. Becquart
Journal articles
hal-01828005v1
|
|
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
Journal articles
hal-01828010v1
|
|
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 articles
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 articles
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
Journal articles
hal-01773626v1
|
|
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 articles
hal-01828012v1
|
|
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
Journal articles
hal-01828017v1
|
|
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
Journal articles
hal-01828016v1
|
|
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
Journal articles
hal-01828014v1
|
|
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
Journal articles
hal-01828019v1
|
|
Introducing $ab\ initio$ based neural networks for transition-rate prediction in kinetic Monte Carlo simulations
Luca Messina
,
Nicolas Castin
,
Christophe Domain
,
Pär Olsson
Journal articles
hal-01828015v1
|
|
Ab initio threshold displacement energies in iron
P. Olsson
,
C. Becquart
,
C. Domain
Journal articles
hal-01828021v1
|
|
Carbon diffusion in bulk hcp zirconium: A multi-scale approach
Y. Xu
,
J. Roques
,
C. Domain
,
E. Simoni
Journal articles
in2p3-01339312v1
|
|
Density functional theory-based cluster expansion to simulate thermal annealing in FeCrW alloys
G. Bonny
,
N. Castin
,
C. Domain
,
P. Olsson
,
B. Verreyken
Journal articles
hal-01828020v1
|
|
Non-equilibrium properties of interatomic potentials in cascade simulations in tungsten
A.E. Sand
,
J. Dequeker
,
C. Becquart
,
C. Domain
,
K. Nordlund
Journal articles
hal-01828022v1
|
|
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⟩
Journal articles
hal-01828031v1
|
|
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
Journal articles
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 articles
hal-01828030v1
|
|
Kinetic Monte Carlo simulation of nanostructural evolution under post-irradiation annealing in dilute FeMnNi
M. Chiapetto
,
C. Becquart
,
C. Domain
,
L. Malerba
Journal articles
hal-01828025v1
|
|
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⟩
Journal articles
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
,
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⟩
Journal articles
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⟩
Journal articles
hal-01828024v1
|
|
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
Journal articles
hal-01828047v1
|
|
Quantitative phase field model for dislocation sink strength calculations
H. Rouchette
,
L. Thuinet
,
A. Legris
,
A. Ambard
,
C. Domain
Journal articles
hal-01828046v1
|
|
Sintering of ferritic and austenitic nanopowders using Spark Plasma Sintering
M Perez
,
M Blat
,
F Delabrouille
,
C Domain
,
C Pokor
Metallurgical Research & Technology, 2014, 111 (5), pp.305--310
Journal articles
hal-01540102v1
|
|
Recent radiation damage studies and developments of the Marlowe code
C. Ortiz
,
A. Souidi
,
C. Becquart
,
C. Domain
,
M. Hou
Journal articles
hal-01828043v1
|
|
Atomic structure of grain boundaries in iron modeled using the atomic density function
O. Kapikranian
,
H. Zapolsky
,
C. Domain
,
Renaud Patte
,
Cristelle Pareige
Journal articles
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 articles
hal-01943690v1
|
|
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 articles
hal-01828038v1
|
|
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 articles
hal-01828039v1
|
|
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 articles
hal-01486154v1
|
|
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
Journal articles
hal-01828042v1
|
|
First-principles study of point defects in an fcc Fe-10Ni-20Cr model alloy
J. Piochaud
,
C. Klaver
,
G. Adjanor
,
P. Olsson
,
C. Domain
Journal articles
hal-01828044v1
|
|
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
Journal articles
hal-01540106v1
|
|
Sink strength calculations of dislocations and loops using OKMC
V. Jansson
,
L. Malerba
,
A. de Backer
,
C. Becquart
,
C. Domain
Journal articles
hal-01828089v1
|
|
Mechanisms of radiation strengthening in Fe–Cr alloys as revealed by atomistic studies
D. Terentyev
,
G. Bonny
,
C. Domain
,
G. Monnet
,
L. Malerba
Journal articles
hal-01828092v1
|
|
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⟩
Journal articles
hal-01828088v1
|
|
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 articles
hal-01828091v1
|
|
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
Journal articles
hal-01830641v1
|
|
Mechanisms of radiation strengthening in Fe–Cr alloys as revealed by atomistic studies
Ghiath Monnet
,
D. Terentyev
,
G. Bonny
,
C. Domain
,
L. Malerba
Journal articles
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 articles
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. Legris
Journal articles
hal-01828093v1
|
|
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 articles
hal-00839666v1
|
|
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 articles
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
Journal articles
in2p3-00723823v1
|
|
Solute–point defect interactions in bcc systems: Focus on first principles modelling in W and RPV steels
C. Becquart
,
C. Domain
Journal articles
hal-01828094v1
|
|
Structure of nanoscale copper precipitates in neutron-irradiated Fe-Cu-C alloys
B. Minov
,
M. Lambrecht
,
D. Terentyev
,
C. Domain
,
M. Konstantinović
Journal articles
hal-01828095v1
|
|
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
Journal articles
hal-01540113v1
|
|
Modeling Microstructure and Irradiation Effects
C. Becquart
,
C. Domain
Journal articles
hal-01828100v1
|
|
Kinetic study of phase transformation in a highly concentrated Fe–Cr alloy: Monte Carlo simulation versus experiments
Cristelle Pareige
,
M. Roussel
,
S. Novy
,
V. Kuksenko
,
P. Olsson
Journal articles
hal-01828099v1
|
|
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 articles
hal-01828101v1
|
|
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
Journal articles
hal-01822580v1
|
|
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
Journal articles
hal-01540115v1
|
|
Review on the EFDA programme on tungsten materials technology and science
M. Rieth
,
L. Boutard
,
S. Dudarev
,
T. Ahlgren
,
S. Antusch
Journal articles
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
Journal articles
in2p3-00616810v1
|
|
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 articles
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 articles
hal-01828115v1
|
|
Ab initio study of solute transition-metal interactions with point defects in bcc Fe
P. Olsson
,
C. Klaver
,
C. Domain
Journal articles
hal-01828116v1
|
|
Introducing chemistry in atomistic kinetic Monte Carlo simulations of Fe alloys under irradiation
C. Becquart
,
C. Domain
Journal articles
hal-01828137v1
|
|
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 articles
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
Journal articles
hal-01822663v1
|
|
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
Journal articles
hal-00511286v1
|
|
Microstructural evolution of irradiated tungsten: Ab initio parameterisation of an OKMC model
C. Becquart
,
C. Domain
,
U. Sarkar
,
A. Debacker
,
M. Hou
Journal articles
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 articles
hal-01828113v1
|
|
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 articles
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
Journal articles
hal-01828144v1
|
|
Overview of the RPV-2 and INTERN-1 packages: From primary damage to microplasticity
G. Adjanor
,
S. Bugat
,
C. Domain
,
A. Barbu
Journal articles
hal-01828105v1
|
|
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 articles
hal-01828111v1
|
|
MOLECULAR DDYNAMICS SIMULATIONS OF DAMAGE AND PLASTICITY - THE ROLE OF AB INITIO CALCULATIONS IN THE DEVELOPMENT OF INTERATOMIC POTENTIALS.
Charlotte Becquart
,
Christophe Domain
Journal articles
hal-00541678v1
|
|
Short- and long-range orders in Fe–Cr: A Monte Carlo study
Cristelle Pareige
,
C. Domain
,
P. Olsson
Journal articles
hal-01828256v1
|
|
A density functional theory assessment of the clustering behaviour of He and H in tungsten
C. Becquart
,
C. Domain
Journal articles
hal-01828150v1
|
|
Atomic and dislocation dynamics simulations of plastic deformation in reactor pressure vessel steel
Ghiath Monnet
,
Christophe Domain
,
Sylvain Queyreau
,
Sanae Naamane
,
Benoit Devincre
Journal articles
hal-01828154v1
|
|
Ferromagnetic Compounds for High Efficiency Photovoltaic Conversion: The Case of AlP:Cr
P. Olsson
,
C. Domain
,
J.-F. Guillemoles
Journal articles
hal-01828155v1
|
|
An object Kinetic Monte Carlo Simulation of the dynamics of helium and point defects in tungsten
C. Becquart
,
C. Domain
Journal articles
hal-01828147v1
|
|
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 articles
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
Journal articles
in2p3-00422532v1
|
|
Towards improved photovoltaic conversion using dilute magnetic semiconductors (abstract only)
Pär Olsson
,
J-F Guillemoles
,
C. Domain
Journal articles
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 articles
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
Journal articles
in2p3-00422487v1
|
|
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 articles
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 articles
hal-01828283v1
|
|
Self-Trapped Interstitial-Type Defects in Iron
D. Terentyev
,
C. Klaver
,
P. Olsson
,
C. Marinica
,
F. Willaime
Journal articles
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 articles
hal-01828277v1
|
|
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⟩
Journal articles
hal-01828317v1
|
|
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⟩
Journal articles
hal-01828328v1
|
|
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
Journal articles
in2p3-00134763v1
|
|
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⟩
Journal articles
hal-01828310v1
|
|
Ab initio study of Cr interactions with point defects in bcc Fe
Pär Olsson
,
Christophe Domain
,
Janne Wallenius
Journal articles
hal-01828323v1
|
|
Object kinetic Monte Carlo study of sink strengths
Lorenzo Malerba
,
Charlotte Becquart
,
Christophe Domain
Journal articles
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 articles
in2p3-00273713v1
|
|
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
Journal articles
hal-00168918v1
|
|
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
Journal articles
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⟩
Journal articles
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 articles
hal-01828320v1
|
|
Vacancy-solute complexes and their clusters in iron
J. Kuriplach
,
O. Melikhova
,
C. Domain
,
C.S. Becquart
,
D. Kulikov
Journal articles
hal-01828340v1
|
|
Migration Energy of He in W Revisited by Ab Initio Calculations
Charlotte Becquart
,
Christophe Domain
Journal articles
hal-01828351v1
|
|
Ab initio atomic-scale determination of point-defect structure in hcp zirconium
C.S. Becquart *
,
A. Souidi
,
M. Hou
,
C. Domain
,
A. Legris
Journal articles
hal-01828666v1
|
|
Ab initio atomic-scale modelling of iodine effects on hcp zirconium
A. Legris *
,
C. Domain
Journal articles
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. Malerba
Journal articles
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 articles
hal-01828358v1
|
|
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
Journal articles
hal-01828662v1
|
|
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 articles
hal-01828332v1
|
|
Helium–self-interstitial atom interaction in α-iron
Lisa Ventelon
,
Brian Wirth
,
Christophe Domain
Journal articles
hal-01828360v1
|
|
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 articles
hal-01828337v1
|
|
Ab initio calculations of self-interstitial interaction and migration with solute atoms in bcc Fe
E. Vincent
,
C. Becquart
,
C. Domain
Journal articles
hal-01828366v1
|
|
Massively parallel molecular dynamics simulations with EAM potentials
C. Becquart
,
K. Decker
,
C. Domain
,
J. Ruste
,
Y. Souffez
Journal articles
hal-01828694v1
|
|
Ab initio calculations of some atomic and point defect interactions involving C and N in Fe
C. Becquart *
,
C. Domain
,
J. Foct
Journal articles
hal-01828429v1
|
|
Comparison of algorithms for multiscale modelling of radiation damage in Fe–Cu alloys
L. Malerba *
,
C. Becquart
,
M. Hou
,
C. Domain
Journal articles
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
Journal articles
in2p3-00211960v1
|
|
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⟩
Journal articles
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 articles
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 articles
hal-01828384v1
|
|
Simulation of Screw Dislocation Motion in Iron by Molecular Dynamics Simulations
Christophe Domain
,
Ghiath Monnet
Journal articles
hal-01828380v1
|
|
Diffusion of phosphorus in α − Fe : An ab initio study
C. Domain
,
C. Becquart
Journal articles
hal-01828424v1
|
|
Fe-doped CuInSe 2 : An ab initio study of magnetic defects in a photovoltaic material
Jean-Marc Raulot
,
Christophe Domain
,
Jean-François Guillemoles
Journal articles
hal-01828374v1
|
|
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⟩
Journal articles
hal-01828382v1
|
|
Two-band modeling of α -prime phase formation in Fe-Cr
Pär Olsson
,
Janne Wallenius
,
Christophe Domain
,
Kai Nordlund
,
Lorenzo Malerba
Journal articles
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
Journal articles
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
Journal articles
hal-01828671v1
|
|
Simulation of radiation damage in Fe alloys: an object kinetic Monte Carlo approach
C. Domain
,
C.S. Becquart
,
L. Malerba
Journal articles
hal-01828687v1
|
|
Ab initio calculation of intrinsic point defects in CuInSe2
C. Domain
,
S. Laribi
,
S. Taunier
,
J.F. Guillemoles
Journal articles
hal-01828696v1
|
|
Atomic-scale Ab-initio study of the Zr-H system: I. Bulk properties
C. Domain
,
R. Besson
,
A. Legris
Journal articles
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 articles
hal-01828690v1
|
|
Atomic displacement cascade distributions in iron
A. Souidi
,
M. Hou
,
C. Becquart
,
C. Domain
Journal articles
hal-01828681v1
|
|
Ab initio calculations of defects in Fe and dilute Fe-Cu alloys
C. Domain
,
C. Becquart
Journal articles
hal-01828683v1
|
|
Influence of the interatomic potentials on molecular dynamics simulations of displacement cascades
C Becquart
,
C. Domain
,
A. Legris
,
J.C van Duysen
Journal articles
hal-01828691v1
|
|
Atomic Scale Simulation of the Effect of Hydrogen on Dislocations in Zr
C. Domain
,
A. Legris
Journal articles
hal-01828743v1
|
|
Kinetic Monte Carlo simulations of cascades in Fe alloys
C. Domain
,
C.S. Becquart
,
J.C. van Duysen
Journal articles
hal-01828740v1
|
|
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
Journal articles
hal-01828744v1
|
|
Kinetic Monte Carlo Simulations of Fecu Alloys
C. Domain
,
C.S. Becquart
,
J.C. Van Duysen
Journal articles
hal-01828738v1
|
|
Kinetic Monte Carlo Simulations of Fecu Alloys
C. Domain
,
C.S. Becquart
,
J.C. van Duysen
Journal articles
hal-01828736v1
|
|
The topological skeleton of cellular automaton dynamics
Christophe Domain
,
Howard Gutowitz
Journal articles
hal-01828750v1
|
|
Computer simulations study of iron–copper alloy
C. Becquart
,
C. Domain
,
J. Ruste
,
Y. Souffez
,
J. Turbatte
Journal articles
hal-01828708v1
|