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 Saclay, at the
Section of Physical
Metallurgy (SRMP), part of the Department of Materials for
Nuclear Energy.

Contact:
CEA Saclay
DEN/DANS/DMN/SRMP
91191 Gif-sur-Yvette Cedex
France
tel. +33 1 69 08 11 77
lisa.ventelon@cea.fr
News
Internship position
for Spring 2022 - VACANT
"Mobility of dislocations decorated by carbon atoms in iron"
SUMMARY OF THE PROJECT
Ongoing
research
- Application
of ab
initio
structure calculations of DFT type to large systems, in order to
describe defects in materials, such as dislocations
- Predictive
modelling from ab initio of plasticity in body-centered cubic metals
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
- "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. Dérès, 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. J. 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. 103, 329 (2004)
DOI
Colleague
homepages
Fabien
Bruneval
Emmanuel
Clouet
Jean-Paul
Crocombette
Thomas
Jourdan
Laurent
Proville
Guido Roma