P R O F E S S I O N A L H
O M E
P A G E
O F L I S A V E N T E L O N
Lisa Ventelon is a researcher at
CEA, at the
Section de Recherches de Métallurgie Physique (SRMP), part of the Département de Recherche sur les Matériaux et la Physico-chimie
pour les énergies bas carbone.
Contact:
CEA Saclay
DES/ISAS/DRMP/S2CM/SRMP
91191 Gif-sur-Yvette Cedex
France
tel. +33 1 69 08 11 77
lisa.ventelon@cea.fr
News
Master internship offered for 6 months
and starting in February 2025 - Possibility of continuing with a PhD thesis
Subject: "Dislocation glide in body-centered cubic high-entropy alloys"
Click here to apply
Ongoing
research
- Application of ab initio
structure calculations of DFT type to large systems, in order to
describe defects in materials
- Predictive
modelling of plasticity in body-centered cubic metals at the atomic scale: dislocation mobility, dislocation-solute interactions
- Couple the ab initio approach with other modeling methods
and with experimental studies
PhD Thesis
"Core structure of screw dislocations in Fe from first-principles"
SRMP, CEA Saclay, France (2008)
Master Thesis
"Migration behavior of He
in interstitial or substitutional
positions in the Fe lattice"
Nuclear Engineering Department, University of California, Berkeley, USA
(2005)
Publications
- Interaction of C, N and O interstitial solute atoms with screw dislocations in HfNbTaTiZr high entropy alloy
T. Leveau, L. Ventelon and E. Clouet. Acta Mater. 275, 120062 (2024)
DOI
- Mobility of carbon-decorated screw dislocations in bcc iron
L. Ventelon, D. Caillard, B. Lüthi, E. Clouet and D. Rodney. Acta Mater. 247, 118716 (2023)
DOI
- Ab initio investigation of the screw dislocation-hydrogen interaction in bcc tungsten and iron
P. P. P. O. Borges, E. Clouet and L. Ventelon. Acta Mater. 234, 118048 (2022)
DOI
- Mobility of screw dislocation in BCC tungsten at high temperature in presence of carbon
G. Hachet, D. Caillard, L. Ventelon and E. Clouet. Acta Mater. 222, 117440 (2022)
DOI
- Efficient and transferable machine learning potentials for the simulation of crystal defects in bcc Fe and W
A. M. Goryaeva, J. Dérčs, C. Lapointe, P. Grigorev, T. D. Swinburne, J. R. Kermode, L. Ventelon, J. Baima, and M.-C. Marinica. Phys. Rev. Materials 5, 103803 (2021)
DOI
- Screw dislocation-carbon interaction in BCC tungsten: an ab initio study
G. Hachet, L. Ventelon, F. Willaime and E. Clouet. Acta Mater. 200, 481 (2020)
DOI
- Screw dislocation core structure in the paramagnetic state of bcc iron from first-principles calculations
L. Casillas-Trujillo, D. Gambino, L. Ventelon and B. Alling. Phys. Rev. B 102, 094420 (2020)
DOI
- Non-glide effects and dislocation core fields in BCC metals
A. Kraych, E. Clouet, L. Dezerald, L. Ventelon, F. Willaime and D. Rodney. npj Comput. Mater. 5, 109 (2019)
DOI
- Ab initio thermodynamics of carbon segregation on dislocation cores in bcc iron
B. Lüthi, F. Berthier, L. Ventelon, B. Legrand, D. Rodney and F. Willaime. Modelling Simul. Mater. Sci. Eng. 27, 074002 (2019)
DOI
- Attractive interaction between interstitial solutes and screw dislocations in bcc iron from first principles
B. Lüthi, L. Ventelon, D. Rodney and F. Willaime. Comput. Mater. Sci. 148, 21 (2018)
DOI
- Multiscale modelling of the interaction of hydrogen with interstitial defects and dislocations in BCC tungsten
A. De Backer, D. R. Mason, C. Domain, D. Nguyen-Manh, M.-C. Marinica, L. Ventelon, C. S. Becquart and S. L. Dudarev. Nucl. Fusion 58, 016006 (2018)
DOI
- First principles investigation of carbon-screw dislocation interactions in body-centered cubic metals
B. Lüthi, L. Ventelon, C. Elsässer, D. Rodney and F. Willaime. Modelling Simul. Mater. Sci. Eng. 25, 084001 (2017)
DOI
- Ab initio modeling of dislocation core properties in metals and semiconductors
D. Rodney, L. Ventelon, E. Clouet, L. Pizzagalli and F. Willaime. Acta Mater. 124, 633 (2017)
DOI
- Hydrogen accumulation around dislocation loops and edge dislocations: from atomistic to mesoscopic scales in BCC tungsten
A. De Backer, D. R. Mason, C. Domain, D. Nguyen-Manh, M.-C. Marinica, L. Ventelon, C. S. Becquart and S. L. Dudarev. Phys. Scr. T170, 014073 (2017)
DOI
- Plastic anisotropy and dislocation trajectory in BCC metals
L. Dezerald, D. Rodney, E. Clouet, L. Ventelon and F. Willaime. Nature Comm. 7, 11695 (2016)
DOI
- Dislocation core reconstruction induced by carbon segregation in bcc iron
L. Ventelon, B. Lüthi, E. Clouet, L. Proville, B. Legrand, D. Rodney and F. Willaime. Phys Rev. B 91, 220102(R) (2015)
DOI
- 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, L. Ventelon, F. Willaime and D. Rodney. Phys Rev. B 91, 094105 (2015)
DOI
- Stability of self-interstitial clusters with C15 Laves phase structure in iron
L. Dezerald, M.-C. Marinica, L. Ventelon, D. Rodney and F. Willaime. J. Nucl. Mater. 449, 219 (2014)
DOI
- Screw dislocation in hcp Ti: DFT dislocation excess energies and metastable core structures
N. Tarrat, M. Benoit, D. Caillard, L. Ventelon, N. Combe and J. Morillo. Modelling Simul. Mater. Sci. Eng. 22, 055016 (2014)
DOI
- Ab initio modeling of the two-dimensional energy landscape of screw dislocations in bcc transition metals
L. Dezerald, L. Ventelon, E. Clouet, C. Denoual, D. Rodney and F. Willaime. Phys. Rev. B 89, 024104 (2014)
DOI
- Interatomic potentials for modelling radiation defects and dislocations in tungsten
M.-C. Marinica, L. Ventelon, M. R. Gilbert, L. Proville, S. L. Dudarev, J. Marian, G. Bencteux and F. Willaime. Phys.: Condens. Matter 25, 395502 (2013)
DOI
- 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 and D. Rodney. Phys. Rev. B 87, 144106 (2013)
DOI
- Assessment of interatomic potentials for atomistic analysis of static and dynamic properties of screw dislocations in W
D. Cereceda, A. Stukowski, M. R. Gilbert, S. Queyreau, L. Ventelon, M.-C. Marinica, J. M. Perlado and J. Marian. J. Phys.: Condens. Matter 25, 085702 (2013)
DOI
- Ab initio investigation of the Peierls potential of screw dislocations in bcc Fe and W
L. Ventelon, F. Willaime, E. Clouet and D. Rodney. Acta Mater. 61, 3973 (2013)
DOI
- Ab initio investigation of radiation defects in tungsten: Structure of self-interstitials and specificity of di-vacancies compared to other bcc transition metals
L. Ventelon, F. Willaime, C.-C. Fu, M. Héran and I. Ginoux. J. Nucl. Mater. 425, 16 (2012)
DOI
- Dislocation core field. II. Screw dislocation in iron
E. Clouet, L. Ventelon and F. Willaime. Phys. Rev. B 84, 224107 (2011)
DOI
- Review on the EFDA programme on tungsten materials technology and science
M. Rieth et al. J. Nucl. Mater. 417, 463 (2011)
DOI
- Generalized stacking-faults and screw-dislocation core-structure in bcc iron: a comparison between ab initio calculations and empirical potentials
L. Ventelon and F. Willaime. Philos. Mag. 90, 1063 (2010)
DOI
- Atomistic simulation of single kinks of screw dislocations in alpha-Fe
L. Ventelon, F. Willaime and P. Leyronnas. J. Nucl. Mater. 386-388, 26 (2009)
DOI
- Dislocation core energies and core fields from first-principles
E. Clouet, L. Ventelon and F. Willaime. Phys. Rev. Lett. 102, 055502 (2009)
DOI
- Core structure and Peierls potential of screw dislocations in alpha-Fe from first principles: cluster versus dipole approach
L. Ventelon and F. Willaime. J. Computer-Aided Mater. Des. 14, 85 (2007)
DOI
- Helium-self interstitial atom interaction in ferritic alloys
L. Ventelon, B. D. Wirth and C. Domain. J. Nucl. Mater. 351, 119 (2006)
DOI
- Multiscale modeling of radiation damage in Fe-based alloys in the fusion environment
B. D. Wirth, G. R. Odette, J. Marian, L. Ventelon, J. A. Young-Vandersall and L. A. Zepeda-Ruiz. J. Nucl. Mater. 329-333, 103 (2004)
DOI
Colleague homepages
Fabien Bruneval
Emmanuel Clouet
Jean-Paul Crocombette
Laurent Proville
Guido Roma
https://orcid.org/0000-0001-9846-197X