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

Journal of nuclear materials, 2010-11, Vol.406 (1), p.19-38

2010

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Microstructural evolution of irradiated tungsten: Ab initio parameterisation of an OKMC model

Journal of nuclear materials, 2010-08, Vol.403 (1), p.75-88

2010

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An object Kinetic Monte Carlo Simulation of the dynamics of helium and point defects in tungsten

Journal of nuclear materials, 2009-03, Vol.385 (2), p.223-227

2009

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Monte Carlo and molecular dynamics simulations of screw dislocation locking by Cottrell atmospheres in low carbon Fe–C alloys

Scripta materialia, 2015-11, Vol.108, p.19-22

2015

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Ab initio calculations about intrinsic point defects and He in W

Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 2007-02, Vol.255 (1), p.23-26

2007

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A DFT study of the stability of SIAs and small SIA clusters in the vicinity of solute atoms in Fe

Journal of nuclear materials, 2018-03, Vol.500, p.92-109

2018

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Non-equilibrium properties of interatomic potentials in cascade simulations in tungsten

Journal of nuclear materials, 2016-03, Vol.470, p.119-127

2016

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Macroscopic rate equation modeling of trapping/detrapping of hydrogen isotopes in tungsten materials

Journal of nuclear materials, 2015-12, Vol.467 (Part 1), p.424-431

2015

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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

Journal of materials research, 2014-10, Vol.29 (20), p.2374-2386

2014

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Simulation of radiation damage in Fe alloys: an object kinetic Monte Carlo approach

Journal of nuclear materials, 2004-10, Vol.335 (1), p.121-145

2004

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Effect of Cr content on the nanostructural evolution of irradiated ferritic/martensitic alloys: An object kinetic Monte Carlo model

Journal of nuclear materials, 2015-10, Vol.465, p.326-336

2015

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Mean field rate theory and object kinetic Monte Carlo: A comparison of kinetic models

Journal of nuclear materials, 2008-12, Vol.382 (2), p.77-90

2008

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Nanostructure evolution under irradiation of Fe(C)MnNi model alloys for reactor pressure vessel steels

Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 2015-06, Vol.352, p.56-60

2015

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

Journal of nuclear materials, 2010-11, Vol.406 (1), p.55-67

2010

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Sink strength calculations of dislocations and loops using OKMC

Journal of nuclear materials, 2013-11, Vol.442 (1-3), p.218-226

2013

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Physical mechanisms and parameters for models of microstructure evolution under irradiation in Fe alloys – Part I: Pure Fe

Nuclear materials and energy, 2021-12, Vol.29, p.101069, Article 101069

2021

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Simulation of nanostructural evolution under irradiation in Fe-9%Cr C alloys: An object kinetic Monte Carlo study of the effect of temperature and dose-rate

Nuclear materials and energy, 2016-12, Vol.9 (C), p.565-570

2016

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Ab initio calculations and interatomic potentials for iron and iron alloys: Achievements within the Perfect Project

Journal of nuclear materials, 2010-11, Vol.406 (1), p.7-18

2010

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Precipitation of the FeCu system: A critical review of atomic kinetic Monte Carlo simulations

Journal of nuclear materials, 2008-02, Vol.373 (1), p.387-401

2008

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Solute – 〈111〉 interstitial loop interaction in α-Fe: A DFT study

Journal of nuclear materials, 2018-02, Vol.499, p.582-594

2018

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Ab initio contribution to the study of complexes formed during dilute FeCu alloys radiation

Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 2003-04, Vol.202 (Complete), p.44-50

2003

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Stability and mobility of small vacancy and copper-vacancy clusters in bcc-Fe: An atomistic kinetic Monte Carlo study

Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 2007-02, Vol.255 (1), p.47-51

2007

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Modelling self trapping and trap mutation in tungsten using DFT and Molecular Dynamics with an empirical potential based on DFT

Journal of nuclear materials, 2014-12, Vol.455 (1-3), p.10-15

2014

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Solute–point defect interactions in bcc systems: Focus on first principles modelling in W and RPV steels

Current opinion in solid state & materials science, 2012-06, Vol.16 (3), p.115-125

2012

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Dependence of radiation damage accumulation in iron on underlying models of displacement cascades and subsequent defect migration

Journal of nuclear materials, 2006-09, Vol.355 (1-3), p.89-103

2006

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

Microstructural evolution of irradiated tungsten: Ab initio parameterisation of an OKMC model

An object Kinetic Monte Carlo Simulation of the dynamics of helium and point defects in tungsten

Monte Carlo and molecular dynamics simulations of screw dislocation locking by Cottrell atmospheres in low carbon Fe–C alloys

Ab initio calculations about intrinsic point defects and He in W

A DFT study of the stability of SIAs and small SIA clusters in the vicinity of solute atoms in Fe

Non-equilibrium properties of interatomic potentials in cascade simulations in tungsten

Macroscopic rate equation modeling of trapping/detrapping of hydrogen isotopes in tungsten materials

Modeling of the self trapping of helium and the trap mutation in tungsten using DFT and empirical potentials based on DFT

Simulation of radiation damage in Fe alloys: an object kinetic Monte Carlo approach

Effect of Cr content on the nanostructural evolution of irradiated ferritic/martensitic alloys: An object kinetic Monte Carlo model

Mean field rate theory and object kinetic Monte Carlo: A comparison of kinetic models

Nanostructure evolution under irradiation of Fe(C)MnNi model alloys for reactor pressure vessel steels

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

Sink strength calculations of dislocations and loops using OKMC

Physical mechanisms and parameters for models of microstructure evolution under irradiation in Fe alloys – Part I: Pure Fe

Simulation of nanostructural evolution under irradiation in Fe-9%Cr C alloys: An object kinetic Monte Carlo study of the effect of temperature and dose-rate

Ab initio calculations and interatomic potentials for iron and iron alloys: Achievements within the Perfect Project

Precipitation of the FeCu system: A critical review of atomic kinetic Monte Carlo simulations

Solute – 〈111〉 interstitial loop interaction in α-Fe: A DFT study

Ab initio contribution to the study of complexes formed during dilute FeCu alloys radiation

Stability and mobility of small vacancy and copper-vacancy clusters in bcc-Fe: An atomistic kinetic Monte Carlo study

Modelling self trapping and trap mutation in tungsten using DFT and Molecular Dynamics with an empirical potential based on DFT

Solute–point defect interactions in bcc systems: Focus on first principles modelling in W and RPV steels

Dependence of radiation damage accumulation in iron on underlying models of displacement cascades and subsequent defect migration

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