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Ab initio investigation of the Peierls potential of screw dislocations in bcc Fe and W

Acta materialia, 2013-06, Vol.61 (11), p.3973-3985

2013

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Dislocation core energies and core fields from first principles

Physical review letters, 2009-02, Vol.102 (5), p.055502-055502, Article 055502

2009

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Ab initio modeling of dislocation core properties in metals and semiconductors

Acta materialia, 2017-02, Vol.124, p.633-659

2017

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First-principles prediction of kink-pair activation enthalpy on screw dislocations in bcc transition metals: V, Nb, Ta, Mo, W, and Fe

Physical review. B, Condensed matter and materials physics, 2015-03, Vol.91 (9), Article 094105

2015

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Dislocation core reconstruction induced by carbon segregation in bcc iron

Physical review. B, Condensed matter and materials physics, 2015-06, Vol.91 (22), Article 220102

2015

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Ab initio study of helium in α-Fe : Dissolution, migration, and clustering with vacancies

Physical review. B, Condensed matter and materials physics, 2005-08, Vol.72 (6), p.064117.1-064117.6, Article 064117

2005

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Interatomic potentials for modelling radiation defects and dislocations in tungsten

Journal of physics. Condensed matter, 2013-10, Vol.25 (39), p.395502-395502

2013

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Ab initio investigation of radiation defects in tungsten: Structure of self-interstitials and specificity of di-vacancies compared to other bcc transition metals

Journal of nuclear materials, 2012-06, Vol.425 (1-3), p.16-21

2012

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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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Irradiation-induced formation of nanocrystallites with C15 Laves phase structure in bcc iron

Physical review letters, 2012-01, Vol.108 (2), p.025501-025501

2012

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Stability and mobility of mono- and di-interstitials in alpha-Fe

Physical review letters, 2004-04, Vol.92 (17), p.175503-175503, Article 175503

2004

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Ab initio scaling laws for the formation energy of nanosized interstitial defect clusters in iron, tungsten, and vanadium

Physical review. B, 2016-07, Vol.94 (2), Article 024103

2016

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Ab initio study of self-interstitials in hcp-Zr

Journal of nuclear materials, 2003-12, Vol.323 (2), p.205-212

Willaime, F

2003

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Self-interstitial defects in hexagonal close packed metals revisited: Evidence for low-symmetry configurations in Ti, Zr, and Hf

Physical review. B, Condensed matter and materials physics, 2013-04, Vol.87 (13), Article 134108

2013

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Energy landscape of small clusters of self-interstitial dumbbells in iron

Physical review. B, Condensed matter and materials physics, 2011-03, Vol.83 (9), Article 094119

2011

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Some improvements of the activation-relaxation technique method for finding transition pathways on potential energy surfaces

The Journal of chemical physics, 2009-03, Vol.130 (11), p.114711-114711

2009

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HRTEM study of oxide nanoparticles in K3-ODS ferritic steel developed for radiation tolerance

Journal of nuclear materials, 2011-02, Vol.409 (2), p.72-79

2011

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Interaction between helium and self-defects in α-iron from first principles

Journal of nuclear materials, 2007-08, Vol.367, p.244-250

2007

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Ab initio thermodynamics of carbon segregation on dislocation cores in bcc iron

Modelling and simulation in materials science and engineering, 2019-07, Vol.27 (7), p.74002

2019

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First principles investigation of carbon-screw dislocation interactions in body-centered cubic metals

Modelling and simulation in materials science and engineering, 2017-10, Vol.25 (8), p.84001

2017

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Root-growth mechanism for single-wall carbon nanotubes

Physical review letters, 2001-12, Vol.87 (27 Pt 1), p.275504-275504, Article 275504

2001

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Atomistic simulation of single kinks of screw dislocations in α-Fe

Journal of nuclear materials, 2009-04, Vol.386, p.26-29

2009

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Stability of self-interstitial clusters with C15 Laves phase structure in iron

Journal of nuclear materials, 2014-06, Vol.449 (1-3), p.219-224

2014

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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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Boron nitride nanotubes with reduced numbers of layers synthesized by arc discharge

Physical review letters, 1996-06, Vol.76 (25), p.4737-4740

1996

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Ab initio investigation of the Peierls potential of screw dislocations in bcc Fe and W

Dislocation core energies and core fields from first principles

Ab initio modeling of dislocation core properties in metals and semiconductors

First-principles prediction of kink-pair activation enthalpy on screw dislocations in bcc transition metals: V, Nb, Ta, Mo, W, and Fe

Dislocation core reconstruction induced by carbon segregation in bcc iron

Ab initio study of helium in α-Fe : Dissolution, migration, and clustering with vacancies

Interatomic potentials for modelling radiation defects and dislocations in tungsten

Ab initio investigation of radiation defects in tungsten: Structure of self-interstitials and specificity of di-vacancies compared to other bcc transition metals

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

Irradiation-induced formation of nanocrystallites with C15 Laves phase structure in bcc iron

Stability and mobility of mono- and di-interstitials in alpha-Fe

Ab initio scaling laws for the formation energy of nanosized interstitial defect clusters in iron, tungsten, and vanadium

Ab initio study of self-interstitials in hcp-Zr

Self-interstitial defects in hexagonal close packed metals revisited: Evidence for low-symmetry configurations in Ti, Zr, and Hf

Energy landscape of small clusters of self-interstitial dumbbells in iron

Some improvements of the activation-relaxation technique method for finding transition pathways on potential energy surfaces

HRTEM study of oxide nanoparticles in K3-ODS ferritic steel developed for radiation tolerance

Interaction between helium and self-defects in α-iron from first principles

Ab initio thermodynamics of carbon segregation on dislocation cores in bcc iron

First principles investigation of carbon-screw dislocation interactions in body-centered cubic metals

Root-growth mechanism for single-wall carbon nanotubes

Atomistic simulation of single kinks of screw dislocations in α-Fe

Stability of self-interstitial clusters with C15 Laves phase structure in iron

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

Boron nitride nanotubes with reduced numbers of layers synthesized by arc discharge

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