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Plastic anisotropy and dislocation trajectory in BCC metals

Nature communications, 2016-05, Vol.7 (1), p.11695-11695, Article 11695

2016

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Screw dislocation-carbon interaction in BCC tungsten: an ab initio study

Acta materialia, 2020-11, Vol.200, p.481-489

2020

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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 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 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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Efficient and transferable machine learning potentials for the simulation of crystal defects in bcc Fe and W

Physical review materials, 2021-10, Vol.5 (10), Article 103803

2021

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Assessment of interatomic potentials for atomistic analysis of static and dynamic properties of screw dislocations in W

Journal of physics. Condensed matter, 2013-02, Vol.25 (8), p.085702-085702

2013

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Interaction of C, N and O interstitial solute atoms with screw dislocations in HfNbTaTiZr high entropy alloy

Acta materialia, 2024-08, Vol.275, Article 120062

2024

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Mobility of screw dislocation in BCC tungsten at high temperature in presence of carbon

Acta materialia, 2022-01, Vol.222, p.117440, Article 117440

2022

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Ab initio modeling of the two-dimensional energy landscape of screw dislocations in bcc transition metals

Physical review. B, Condensed matter and materials physics, 2014-01, Vol.89 (2), Article 024104

2014

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Generalized stacking-faults and screw-dislocation core-structure in bcc iron: A comparison between ab initio calculations and empirical potentials

Philosophical magazine (Abingdon, England), 2010-03, Vol.90 (7-8), p.1063-1074

2010

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Ab initio investigation of the screw dislocation-hydrogen interaction in bcc tungsten and iron

Acta materialia, 2022-08, Vol.234, p.118048, Article 118048

2022

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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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Mobility of carbon-decorated screw dislocations in bcc iron

Acta materialia, 2023-04, Vol.247, p.118716, Article 118716

2023

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Prediction of the kink-pair formation enthalpy on screw dislocations in α -iron by a line tension model parametrized on empirical potentials and first-principles calculations

Physical review. B, Condensed matter and materials physics, 2013-04, Vol.87 (14), Article 144106

2013

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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 field.II. Screw dislocation in iron

Physical review. B, Condensed matter and materials physics, 2011-12, Vol.84 (22), Article 224107

2011

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Screw dislocation core structure in the paramagnetic state of bcc iron from first-principles calculations

Physical review. B, 2020-09, Vol.102 (9), p.1, Article 094420

2020

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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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Non-glide effects and dislocation core fields in BCC metals

npj computational materials, 2019-11, Vol.5 (1), p.1-8, Article 109

2019

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Helium–self-interstitial atom interaction in α-iron

Journal of nuclear materials, 2006-06, Vol.351 (1), p.119-132

2006

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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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Screw dislocation in hcp Ti : DFT dislocation excess energies and metastable core structures

Modelling and simulation in materials science and engineering, 2014-07, Vol.22 (5), p.55016-19

2014

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Generalized stacking-faults and screw-dislocation core-structure in bcc iron: A comparison between ab initio calculations and empirical potentials: Elasticity to Atomistics: Predictive Modeling of Defect Behavior: Symposium within MMM4 (October 2008): Dedicated to David Bacon

Philosophical magazine (Abingdon, England), 2010, Vol.90 (7-8), p.1063-1074

2010

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Plastic anisotropy and dislocation trajectory in BCC metals

Screw dislocation-carbon interaction in BCC tungsten: an ab initio study

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

Dislocation core reconstruction induced by carbon segregation in bcc iron

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

Efficient and transferable machine learning potentials for the simulation of crystal defects in bcc Fe and W

Assessment of interatomic potentials for atomistic analysis of static and dynamic properties of screw dislocations in W

Interaction of C, N and O interstitial solute atoms with screw dislocations in HfNbTaTiZr high entropy alloy

Mobility of screw dislocation in BCC tungsten at high temperature in presence of carbon

Ab initio modeling of the two-dimensional energy landscape of screw dislocations in bcc transition metals

Generalized stacking-faults and screw-dislocation core-structure in bcc iron: A comparison between ab initio calculations and empirical potentials

Ab initio investigation of the screw dislocation-hydrogen interaction in bcc tungsten and iron

Dislocation core energies and core fields from first principles

Mobility of carbon-decorated screw dislocations in bcc iron

Prediction of the kink-pair formation enthalpy on screw dislocations in α -iron by a line tension model parametrized on empirical potentials and first-principles calculations

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

Dislocation core field.II. Screw dislocation in iron

Screw dislocation core structure in the paramagnetic state of bcc iron from first-principles calculations

Interatomic potentials for modelling radiation defects and dislocations in tungsten

Non-glide effects and dislocation core fields in BCC metals

Helium–self-interstitial atom interaction in α-iron

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

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

Screw dislocation in hcp Ti : DFT dislocation excess energies and metastable core structures

Generalized stacking-faults and screw-dislocation core-structure in bcc iron: A comparison between ab initio calculations and empirical potentials: Elasticity to Atomistics: Predictive Modeling of Defect Behavior: Symposium within MMM4 (October 2008): Dedicated to David Bacon

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