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Dislocation core reconstruction induced by carbon segregation in bcc iron

Lisa Ventelon , B. L. Uethi , E. Clouet , L. Proville , B. Legrand , et al.
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2015, 91 (22), pp.220102. ⟨10.1103/PhysRevB.91.220102⟩
Article dans une revue hal-02305589v1

Helium–self-interstitial atom interaction in α-iron

Lisa Ventelon , Brian Wirth , Christophe Domain
Journal of Nuclear Materials, 2006, 351 (1-3), pp.119 - 132. ⟨10.1016/j.jnucmat.2006.02.029⟩
Article dans une revue istex hal-01828360v1

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

L. Proville , L. Ventelon , D. Rodney
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2013, 87 (14), ⟨10.1103/PhysRevB.87.144106⟩
Article dans une revue hal-00850236v1

Hydrogen accumulation around dislocation loops and edge dislocations: from atomistic to mesoscopic scales in BCC tungsten

Andrée de Backer , Daniel R. Mason , Christophe Domain , Duc Nguyen-Manh , Mihai-Cosmin Marinica , et al.
16. International Conference on Plasma-Facing Materials and Components for Fusion Applications (PFMC-16), Forschungszentrum Jülich GmbH. DEU., May 2017, Neuss, Germany. ⟨10.1088/1402-4896/aa9400⟩
Communication dans un congrès hal-02737835v1

Ab initio modeling of dislocation core properties in metals and semiconductors

David Rodney , L. Ventelon , E. Clouet , Laurent Pizzagalli , F. Willaime
Acta Materialia, 2017, 124, pp.633-659. ⟨10.1016/j.actamat.2016.09.049⟩
Article dans une revue hal-02317567v1

Review on the EFDA programme on tungsten materials technology and science

M. Rieth , L. Boutard , S. Dudarev , T. Ahlgren , S. Antusch , et al.
Journal of Nuclear Materials, 2011, 417 (1-3), pp.463 - 467. ⟨10.1016/j.jnucmat.2011.01.075⟩
Article dans une revue istex hal-01828097v1
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Ab initio thermodynamics of carbon segregation on dislocation cores in bcc iron

B. Luthi , F. Berthier , L. Ventelon , B. Legrand , D. Rodney , et al.
Modelling and Simulation in Materials Science and Engineering, 2019, 27 (7), pp.074002. ⟨10.1088/1361-651X/ab28d4⟩
Article dans une revue hal-02357980v1
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Dislocation core field. II. Screw dislocation in iron

Emmanuel Clouet , Lisa Ventelon , F. Willaime
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2011, 84 (22), pp.224107. ⟨10.1103/PhysRevB.84.224107⟩
Article dans une revue hal-00654126v1
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Screw dislocation-carbon interaction in BCC tungsten: an ab initio study

Guillaume Hachet , Lisa Ventelon , François Willaime , Emmanuel Clouet
Acta Materialia, 2020, 200, pp.481-489. ⟨10.1016/j.actamat.2020.09.014⟩
Article dans une revue hal-03234070v1

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

Nathalie Tarrat , Magali Benoit , Daniel Caillard , Lisa Ventelon , Nicolas Combe , et al.
Modelling and Simulation in Materials Science and Engineering, 2014, 22 (5), pp.055016. ⟨10.1088/0965-0393/22/5/055016⟩
Article dans une revue hal-01726242v1

Mobility of carbon-decorated screw dislocations in bcc iron

Lisa Ventelon , Daniel Caillard , Bérengère Lüthi , Emmanuel Clouet , David Rodney , et al.
Acta Materialia, 2023, 247, pp.118716. ⟨10.1016/j.actamat.2023.118716⟩
Article dans une revue hal-04501043v1

Attractive interaction between interstitial solutes and screw dislocations in bcc iron from first principles

B. Luthi , L. Ventelon , David Rodney , F. Willaime
Computational Materials Science, 2018, 148, pp.21-26. ⟨10.1016/j.commatsci.2018.02.016⟩
Article dans une revue hal-02290271v1

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 , et al.
Physica Scripta, 2017, T170, ⟨10.1088/1402-4896/aa9400⟩
Article dans une revue hal-01828016v1
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Ab initio modeling of the two-dimensional energy landscape of screw dislocations in bcc transition metals

L. Dezerald , L. Ventelon , E. Clouet , C. Denoual , David Rodney , et al.
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2014, 89 (2), pp.024104. ⟨10.1103/PhysRevB.89.024104⟩
Article dans une revue hal-02311245v1
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Plastic anisotropy and dislocation trajectory in BCC metals

Lucile Dezerald , David Rodney , Emmanuel Clouet , Lisa Ventelon , Francois Willaime
Nature Communications, 2016, 7, pp.11695. ⟨10.1038/ncomms11695⟩
Article dans une revue hal-02303907v1
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Screw dislocation core structure in the paramagnetic state of bcc iron from first-principles calculations

Luis Casillas-Trujillo , David Gambino , Lisa Ventelon , Björn Alling
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2020, 102, pp.094420. ⟨10.1103/PhysRevB.102.094420⟩
Article dans une revue cea-02985556v1

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

L. Dezerald , M. C. Marinica , L. Ventelon , David Rodney , F. Willaime
Journal of Nuclear Materials, 2014, 449, pp.219-224. ⟨10.1016/j.joucmat.2014.02.012⟩
Article dans une revue hal-02311248v1

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

B. Luthi , L. Ventelon , C. Elsaesser , David Rodney , F. Willaime
Modelling and Simulation in Materials Science and Engineering, 2017, 25 (8), pp.084001. ⟨10.1088/1361-651X/aa88eb⟩
Article dans une revue hal-02317563v1
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Ab initio investigation of the Peierls potential of screw dislocations in bcc Fe and W

Lisa Ventelon , François Willaime , Emmanuel Clouet , David Rodney
Acta Materialia, 2013, 61 (11), pp.3973-3985. ⟨10.1016/j.actamat.2013.03.012⟩
Article dans une revue hal-00850210v1
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Non-glide effects and dislocation core fields in BCC metals

Antoine Kraych , Emmanuel Clouet , Lucile Dezerald , Lisa Ventelon , François Willaime , et al.
npj Computational Materials, 2019, 5 (1), pp.109. ⟨10.1038/s41524-019-0247-3⟩
Article dans une revue hal-03230150v1
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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

L. Dezerald , L. Proville , Lisa Ventelon , F. Willaime , David Rodney
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2015, 91 (9), pp.094105. ⟨10.1103/PhysRevB.91.094105⟩
Article dans une revue hal-02308769v1

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 , et al.
Nuclear Fusion, 2018, 58 (1), ⟨10.1088/1741-4326/aa8e0c⟩
Article dans une revue hal-01828011v1
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Dislocation Core Energies and Core Fields from First Principles

Emmanuel Clouet , Lisa Ventelon , François Willaime
Physical Review Letters, 2009, 102 (5), pp.055502
Article dans une revue hal-00359884v1