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First-principles molecular dynamics compression of small metallic nanoparticles
Laurent Pizzagalli
,
J. Durinck
,
S. Brochard
,
J. Godet
Article dans une revue
hal-04291303
v1
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Structural stability of tungsten nanoparticles
Laurent Pizzagalli
,
S. Brochard
,
J. Godet
,
J. Durinck
Article dans une revue
hal-04713816
v1
|
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Experimental characterization of quasi-2-dimension nanoporous gold ultra-thin film from nano to micro length scale
Julien Godet
,
Gwénaël Massé
,
Issraa Shahine
,
Quentin Hatte
,
Hadi Bahsoun
et al.
Article dans une revue
hal-04372632
v1
|
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Tailoring the Plasticity of Topologically Close‐packed Phases via the Crystals’ Fundamental Building Blocks
Wei Luo
,
Zhuocheng Xie
,
Siyuan Zhang
,
Julien Guénolé
,
Pei‐ling Sun
et al.
Article dans une revue
hal-04083174
v2
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Ultra high strength and plasticity mechanisms of Si and SiC nanoparticles revealed by first principles molecular dynamics
Laurent Pizzagalli
,
J. Godet
Article dans une revue
hal-04434174
v1
|
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First principles molecular dynamics calculations of the mechanical properties of endofullerenes containing noble gas atoms or small molecules
Laurent Pizzagalli
Article dans une revue
hal-03651039
v1
|
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Mechanical properties of C 60 at finite temperature from first-principles calculations
Laurent Pizzagalli
Article dans une revue
hal-03552310
v1
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Surface stress calculations for nanoparticles and cavities in aluminum, silicon, and iron: influence of pressure and validity of the Young-Laplace equation
Laurent Pizzagalli
,
Marie-Laure David
Article dans une revue
hal-03338736
v1
|
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Modeling the mechanical properties of nanoparticles: a review
Jonathan Amodeo
,
Laurent Pizzagalli
Article dans une revue
hal-03232533
v1
|
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Accurate values of 3C, 2H, 4H, and 6H SiC elastic constants using DFT calculations and heuristic errors corrections
Laurent Pizzagalli
Article dans une revue
hal-03232526
v1
|
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Atomic and electronic structures of a vacancy in amorphous silicon
Andreas Pedersen
,
Laurent Pizzagalli
,
Hannes Jónsson
Article dans une revue
hal-02933774
v1
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Atomistic simulations of a helium bubble in silicon carbide
Laurent Pizzagalli
,
M.-L. David
Article dans une revue
hal-02447139
v1
|
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Finite temperature mechanical properties of nanostructures with first principles accuracy
Laurent Pizzagalli
Article dans une revue
hal-02933767
v1
|
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Stacking fault formation created by plastic deformation at low temperature and small scales in silicon
Laurent Pizzagalli
,
J Godet
,
S Brochard
,
H J Gotsis
,
Tristan Albaret
Article dans une revue
hal-02990149
v1
|
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Influence of helium on the nucleation and growth of bubbles in silicon: a multiscale modelling study
Laurent Pizzagalli
,
Julien Dérès
,
Marie-Laure David
,
Thomas Jourdan
Article dans une revue
hal-02299410
v1
|
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Plastic behaviour and deformation mechanisms in silicon nano-objects
M Texier
,
A Merabet
,
C Tromas
,
S Brochard
,
L Pizzagalli
et al.
Article dans une revue
hal-04254688
v1
|
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Core properties and the role of screw dislocations in the bulk n-type conductivity in InN
I. Belabbas
,
Laurent Pizzagalli
,
J. Kioseoglou
,
Jie Chen
Article dans une revue
hal-02278629
v1
|
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Molecular dynamics study of mechanical behavior of gold-silicon core-shell nanowires under cyclic loading
Julien Godet
,
Laurent Pizzagalli
,
Maxime Guillotte
Article dans une revue
hal-02136332
v1
|
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A fully molecular dynamics-based method for modeling nanoporous gold
Maxime Guillotte
,
Julien Godet
,
Laurent Pizzagalli
Article dans une revue
hal-02116222
v1
|
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Ductile deformation of core-shell Si-SiC nanoparticles controlled by shell thickness
Dimitrios Kilymis
,
Céline Gérard
,
Laurent Pizzagalli
Article dans une revue
hal-02117203
v1
|
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Uniaxial compression of silicon nanoparticles: an atomistic study on the shape and size effects
Dimitrios Kilymis
,
Céline Gérard
,
Jonathan Amodeo
,
Umesh V Waghmare
,
Laurent Pizzagalli
Article dans une revue
hal-02136329
v1
|
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Low-temperature intrinsic plasticity in silicon at small scales
A. Merabet
,
M. Texier
,
C. Tromas
,
Sandrine Brochard
,
Laurent Pizzagalli
et al.
Article dans une revue
hal-02318908
v1
|
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First-principles calculations of threading screw dislocations in AlN and InN
Laurent Pizzagalli
,
I. Belabbas
,
J. Kioseoglou
,
Jun Chen
Article dans une revue
hal-02114776
v1
|
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Atomistic modeling of point defect contributions to swelling in Xe- implanted silicon carbide
Laurent Pizzagalli
Article dans une revue
hal-02418257
v1
|
|
Evolution of the properties of helium nanobubbles during in situ annealing probed by spectrum imaging in the transmission electron microscope
K. Alix
,
M.-L. David
,
J. Dérès
,
C. Hébert
,
Laurent Pizzagalli
Article dans une revue
hal-02114782
v1
|
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Influence of strain on dislocation core in silicon
Laurent Pizzagalli
,
J. Godet
,
Sandrine Brochard
Article dans une revue
hal-02310760
v1
|
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Atomic scale mechanisms and brittle to ductile transition at low size in silicon
Sandrine Brochard
,
Firas Abed El Nabi
,
Laurent Pizzagalli
,
Amina Merabet
,
Michael Texier
et al.
Article dans une revue
hal-02308704
v1
|
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Atomic Scale Formation Mechanism of Edge Dislocation Relieving Lattice Strain in a GeSioverlayer on Si(001)
E. Maras
,
Laurent Pizzagalli
,
T. Ala-Nissila
,
H. Jonsson
Article dans une revue
cea-02339914
v1
|
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Ab initio modeling of dislocation core properties in metals and semiconductors
David Rodney
,
L. Ventelon
,
E. Clouet
,
Laurent Pizzagalli
,
F. Willaime
Article dans une revue
hal-02317567
v1
|
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Properties of helium bubbles in covalent systems at the nanoscale: A combined numerical and experimental study
J. Dérès
,
M.-L. David
,
K. Alix
,
C. Hébert
,
D. T L Alexander
et al.
Article dans une revue
hal-02114780
v1
|
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Influence of surface atomic structure on the mechanical response of aluminum nanospheres under compression
Céline Gérard
,
S. Bel Haj Salah
,
Laurent Pizzagalli
Article dans une revue
hal-01637721
v1
|
|
Uniform tensile elongation in Au–Si core–shell nanowires
Julien Godet
,
Clarisse Furgeaud
,
Laurent Pizzagalli
,
Michael Demkowicz
Article dans une revue
hal-03675686
v1
|
|
Onset of plasticity in zirconium in relation with hydrides precipitation
Wojciech Szewc
,
Laurent Pizzagalli
,
Sandrine Brochard
,
Emmanuel Clouet
Article dans une revue
cea-02389333
v1
|
|
Onset of ductility and brittleness in silicon nanowires mediated by dislocation nucleation
Firas Abed El Nabi
,
Julien Godet
,
Sandrine Brochard
,
Laurent Pizzagalli
Article dans une revue
hal-03672147
v1
|
|
Surface effects on the mechanical behavior of silicon nanowires: Consequence on the brittle to ductile transition at low scale and low temperature
Julien Godet
,
Firas Abed El Nabi
,
Sandrine Brochard
,
Laurent Pizzagalli
Article dans une revue
istex
hal-03662331
v1
|
|
Investigation of helium interstitials aggregation in silicon: Why bubbles formation by a self-trapping mechanism does not work
Laurent Pizzagalli
,
M.-L. David
,
A. Charaf-Eddin
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2015, 352, pp.152-155. ⟨10.1016/j.nimb.2014.12.002⟩
Article dans une revue
hal-01164544
v1
|
|
Stability and mobility of screw dislocations in 4H, 2H and 3C silicon carbide
L. Pizzagalli
Article dans une revue
hal-03614884
v1
|
|
Numerical simulations and modeling of the stability of noble gas atoms in interaction with vacancies in silicon
Laurent Pizzagalli
,
A. Charaf-Eddin
,
Sandrine Brochard
Article dans une revue
hal-02142152
v1
|
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A new parametrization of the Stillinger–Weber potential for an improved description of defects and plasticity of silicon
Laurent Pizzagalli
,
J. Godet
,
Julien Guénolé
,
Sandrine Brochard
,
E. Holmström
et al.
Article dans une revue
hal-02459325
v1
|
|
First principles calculation of noble gas atoms properties in 3C-SiC
Laurent Pizzagalli
Article dans une revue
hal-00728924
v1
|
|
Dislocation cores in silicon: new aspects from numerical simulations
Laurent Pizzagalli
,
Julien Godet
,
Julien Guénolé
,
Sandrine Brochard
Article dans une revue
hal-02459340
v1
|
|
Determination of activation parameters for the core transformation of the screw dislocation in silicon
Julien Guénolé
,
Julien Godet
,
Laurent Pizzagalli
Article dans une revue
hal-02459331
v1
|
|
Glissile dislocations with transient cores in silicon
Laurent Pizzagalli
,
Julien Godet
,
Sandrine Brochard
Physical Review Letters, 2009, 103, pp.065505
Article dans une revue
hal-00418686
v1
|
|
Evidence of two plastic regimes controlled by dislocation nucleation in silicon nanostructures
Julien Godet
,
Pierre Hirel
,
Sandrine Brochard
,
Laurent Pizzagalli
Journal of Applied Physics, 2009, Journal of Applied Physics, 105 (2), pp.026104. ⟨10.1063/1.3072707⟩
Article dans une revue
hal-02510296
v1
|
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Investigation of the interaction between hydrogen and screw dislocation in silicon by first principles calculations
Laurent Pizzagalli
Article dans une revue
hal-00728916
v1
|
|
Dislocation nucleation from surface step in silicon: The glide set versus the shuffle set
Julien Godet
,
Pierre Hirel
,
Sandrine Brochard
,
Laurent Pizzagalli
Physica Status Solidi A (applications and materials science), 2009, physica status solidi (a), 206 (8), pp.1885-1891. ⟨10.1002/pssa.200881460⟩
Article dans une revue
istex
hal-02502437
v1
|
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Dislocation motion in silicon: the shuffle-glide controversy revisited
Laurent Pizzagalli
,
Pierre Beauchamp
Philosophical Magazine Letters, 2008, 88 (6), pp.421
Article dans une revue
hal-00418679
v1
|
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Theoretical study of kinks on screw dislocation in silicon
Laurent Pizzagalli
,
Andreas Pedersen
,
Andri Arnaldsson
,
Hannes Jónsson
,
Pierre Beauchamp
Article dans une revue
hal-00274424
v1
|
|
Extended Defects Created by Light Ion Implantation in Ge
Marie-Laure David
,
Jean François Barbot
,
Sophie Rousselet
,
Frederic Pailloux
,
David Babonneau
et al.
Article dans une revue
hal-04447818
v1
|
|
Determination of activation parameters for dislocation formation from a surface in fcc metals by atomistic simulations
Pierre Hirel
,
Julien Godet
,
Sandrine Brochard
,
Laurent Pizzagalli
,
Pierre Beauchamp
Article dans une revue
hal-02487181
v1
|
|
Helium implanted gallium nitride evidence of gas-filled rod-shaped cavity formation along the c-axis
J-F. Barbot
,
F. Pailloux
,
M.-L. David
,
Laurent Pizzagalli
,
E. Oliviero
et al.
Article dans une revue
in2p3-00828299
v1
|
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Effects of temperature and surface step on the incipient plasticity in strained aluminium studied by atomistic simulations
Pierre Hirel
,
Sandrine Brochard
,
Laurent Pizzagalli
,
Pierre Beauchamp
Article dans une revue
hal-00175884
v1
|
|
Theoretical study of the recombination of Frenkel pairs in irradiated silicon carbide
Guillaume Lucas
,
Laurent Pizzagalli
Article dans une revue
hal-00170794
v1
|
|
Calculations of dislocation mobility using nudged elastic band method and first principles DFT calculations
Laurent Pizzagalli
,
Pierre Beauchamp
,
Hannes Jónsson
Article dans une revue
hal-00513845
v1
|
|
Dislocation formation from a surface step in semiconductors: an ab initio study
Julien Godet
,
Sandrine Brochard
,
Laurent Pizzagalli
,
Pierre Beauchamp
,
Jose M. Soler
Article dans une revue
hal-00170873
v1
|
|
Stability of undissociated screw dislocations in zinc-blende covalent materials from first principle simulations
Laurent Pizzagalli
,
Pierre Beauchamp
,
Jacques Rabier
Article dans une revue
hal-00170875
v1
|
|
Ab initio molecular dynamics calculations of threshold displacement energies in silicon carbide
Guillaume Lucas
,
Laurent Pizzagalli
Article dans une revue
hal-00170874
v1
|
|
Classical potentials and ab initio comparison in the determination of threshold displacement energies in $\beta$-SiC
Guillaume Lucas
,
Laurent Pizzagalli
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2005, 229 (3-4), pp.359. ⟨10.1016/j.nimb.2004.12.119⟩
Article dans une revue
hal-00170955
v1
|
|
Theoretical study of dislocation nucleation from simple surface defects in semiconductors
Julien Godet
,
Laurent Pizzagalli
,
Sandrine Brochard
,
Pierre Beauchamp
Article dans une revue
hal-00170983
v1
|
|
First principles determination of the Peierls stress of the shuffle screw dislocation in silicon
Laurent Pizzagalli
,
Pierre Beauchamp
Article dans une revue
hal-00170960
v1
|
|
Probing the Electronic Density of States of Germanium Nanoparticles: A Method for Determining Atomic Structure
Andrew J. Williamson
,
C. Bostedt
,
T. van Buuren
,
T. M. Willey
,
L. J. Terminello
et al.
Article dans une revue
hal-00170969
v1
|
|
Classical Atomistic Simulations in Materials Sciences: An Introduction
Laurent Pizzagalli
MATERIALS SCIENCE (MEDŽIAGOTYRA), 2004, 10 (2), pp.125
Article dans une revue
hal-00170973
v1
|
|
Comparison between classical potentials and ab initio for silicon under large shear
Julien Godet
,
Laurent Pizzagalli
,
Sandrine Brochard
,
Pierre Beauchamp
Article dans une revue
hal-00170987
v1
|
|
Theory of single atom manipulation with a scanning probe tip: Force signatures, constant-height, and constant-force scans
Laurent Pizzagalli
,
Alexis Baratoff
Article dans une revue
hal-00170999
v1
|
|
Undissociated screw dislocations in silicon: calculations of core structure and energy
Laurent Pizzagalli
,
Pierre Beauchamp
,
Jacques Rabier
Article dans une revue
hal-00170990
v1
|
|
Theoretical investigations of a highly mismatched interface: the case of SiC/Si(001)
Laurent Pizzagalli
,
Giancarlo Cicero
,
Alessandra Catellani
Article dans une revue
hal-00171004
v1
|
|
Ab initio Study of Misfit Dislocations at the SiC/Si(001) Interface
Giancarlo Cicero
,
Laurent Pizzagalli
,
Alessandra Catellani
Article dans une revue
hal-00171009
v1
|
|
Surface step effects on Si (100) under uniaxial tensile stress, by atomistic calculations
Julien Godet
,
Laurent Pizzagalli
,
Sandrine Brochard
,
Pierre Beauchamp
Article dans une revue
hal-00171015
v1
|
|
Reconstruction of the Si-terminated β-SiC(100) surface
Laurent Pizzagalli
,
C Joachim
,
A Mayne
,
G Dujardin
,
F Semond
et al.
Article dans une revue
istex
cea-04464999
v1
|
|
Direct Observation of a β -SiC(100)- c ( 4 × 2 ) Surface Reconstruction
P. Soukiassian
,
F. Semond
,
L. Douillard
,
A. Mayne
,
G. Dujardin
et al.
Article dans une revue
hal-04329809
v1
|
|
van der Waals atomic trap in a scanning-tunneling-microscope junction:Tip shape, dynamical effects, and tunnel current signatures
X. Bouju
,
Ch. Girard
,
Hao Tang
,
Christian Joachim
,
L. Pizzagalli
Article dans une revue
hal-02049582
v1
|