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Atomistic modeling of point defect contributions to swelling in Xe- implanted silicon carbide

Laurent Pizzagalli
Journal of Nuclear Materials, 2018, 512, pp.349-356. ⟨10.1016/j.jnucmat.2018.10.024⟩
Article dans une revue hal-02418257v1
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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.
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2017, 96 (1), ⟨10.1103/PhysRevB.96.014110⟩
Article dans une revue hal-02114780v1
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Atomistic simulations of a helium bubble in silicon carbide

Laurent Pizzagalli , M.-L. David
Journal of Nuclear Materials, 2020, 531, pp.151990. ⟨10.1016/j.jnucmat.2020.151990⟩
Article dans une revue hal-02447139v1

Core properties and the role of screw dislocations in the bulk n-type conductivity in InN

I. Belabbas , Laurent Pizzagalli , J. Kioseoglou , Jie Chen
Physical Chemistry Chemical Physics, 2019, 21 (28), pp.15767-15778. ⟨10.1039/c9cp02062d⟩
Article dans une revue hal-02278629v1

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
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Modeling the mechanical properties of nanoparticles: a review

Jonathan Amodeo , Laurent Pizzagalli
Comptes Rendus. Physique, 2021, 22 (S3), pp.35-66. ⟨10.5802/crphys.70⟩
Article dans une revue hal-03232533v1
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Theoretical study of the recombination of Frenkel pairs in irradiated silicon carbide

Guillaume Lucas , Laurent Pizzagalli
Journal of Physics: Condensed Matter, 2007, 19, pp.086208. ⟨10.1088/0953-8984/19/8/086208⟩
Article dans une revue hal-00170794v1
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Comparison between classical potentials and ab initio for silicon under large shear

Julien Godet , Laurent Pizzagalli , Sandrine Brochard , Pierre Beauchamp
Journal of Physics: Condensed Matter, 2003, 15, pp.6943. ⟨10.1088/0953-8984/15/41/004⟩
Article dans une revue hal-00170987v1
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First-principles calculations of threading screw dislocations in AlN and InN

Laurent Pizzagalli , I. Belabbas , J. Kioseoglou , Jun Chen
Physical Review Materials, 2018, 2 (6), ⟨10.1103/PhysRevMaterials.2.064607⟩
Article dans une revue hal-02114776v1

Determination of activation parameters for the core transformation of the screw dislocation in silicon

Julien Guénolé , Julien Godet , Laurent Pizzagalli
Modelling and Simulation in Materials Science and Engineering, 2010, 18 (6), pp.065001. ⟨10.1088/0965-0393/18/6/065001⟩
Article dans une revue hal-02459331v1
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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
Acta Materialia, 2019, 5, pp.100204. ⟨10.1016/j.mtla.2018.100204⟩
Article dans une revue hal-02136332v1
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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
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2018, 97 (10), ⟨10.1103/PhysRevB.97.104102⟩
Article dans une revue hal-02114782v1
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A fully molecular dynamics-based method for modeling nanoporous gold

Maxime Guillotte , Julien Godet , Laurent Pizzagalli
Computational Materials Science, 2019, 161, pp.135-142. ⟨10.1016/j.commatsci.2019.01.042⟩
Article dans une revue hal-02116222v1
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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.
Nano Letters, 2004, 4 (6), pp.1041. ⟨10.1021/nl049654m⟩
Article dans une revue hal-00170969v1
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Calculations of dislocation mobility using nudged elastic band method and first principles DFT calculations

Laurent Pizzagalli , Pierre Beauchamp , Hannes Jónsson
Philosophical Magazine, 2007, 88 (01), pp.91-100. ⟨10.1080/14786430701767402⟩
Article dans une revue hal-00513845v1
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First principles determination of the Peierls stress of the shuffle screw dislocation in silicon

Laurent Pizzagalli , Pierre Beauchamp
Philosophical Magazine Letters, 2004, 84 (11), pp.729. ⟨10.1080/09500830500041377⟩
Article dans une revue hal-00170960v1
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Theoretical study of dislocation nucleation from simple surface defects in semiconductors

Julien Godet , Laurent Pizzagalli , Sandrine Brochard , Pierre Beauchamp
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2004, 70 (5), pp.054109. ⟨10.1103/PhysRevB.70.054109⟩
Article dans une revue hal-00170983v1
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Dislocation formation from a surface step in semiconductors: an ab initio study

Julien Godet , Sandrine Brochard , Laurent Pizzagalli , Pierre Beauchamp , Jose M. Soler
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2006, 73 (9), pp.092105. ⟨10.1103/PhysRevB.73.092105⟩
Article dans une revue hal-00170873v1
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First-principles molecular dynamics compression of small metallic nanoparticles

Laurent Pizzagalli , J. Durinck , S. Brochard , J. Godet
Scripta Materialia, 2024, 241, pp.115863. ⟨10.1016/j.scriptamat.2023.115863⟩
Article dans une revue hal-04291303v1

Influence of surface atomic structure on the mechanical response of aluminum nanospheres under compression

Céline Gérard , S. Bel Haj Salah , Laurent Pizzagalli
Computational Materials Science, 2017, 129, pp.273 - 278. ⟨10.1016/j.commatsci.2016.12.033⟩
Article dans une revue hal-01637721v1

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.
Materials Today: Proceedings, 2018, 5 (6), pp.14693-14704. ⟨10.1016/j.matpr.2018.03.059⟩
Article dans une revue hal-02308704v1

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.
Journal of Applied Physics, 2008, 104, pp.043526. ⟨10.1063/1.2970062⟩
Article dans une revue in2p3-00828299v1
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Surface step effects on Si (100) under uniaxial tensile stress, by atomistic calculations

Julien Godet , Laurent Pizzagalli , Sandrine Brochard , Pierre Beauchamp
Scripta Materialia, 2002, 47 (7), pp.481. ⟨10.1016/S1359-6462(02)00183-5⟩
Article dans une revue hal-00171015v1
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Theoretical investigations of a highly mismatched interface: the case of SiC/Si(001)

Laurent Pizzagalli , Giancarlo Cicero , Alessandra Catellani
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2003, 68 (19), pp.195302. ⟨10.1103/PhysRevB.68.195302⟩
Article dans une revue hal-00171004v1
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Stability of undissociated screw dislocations in zinc-blende covalent materials from first principle simulations

Laurent Pizzagalli , Pierre Beauchamp , Jacques Rabier
EPL - Europhysics Letters, 2005, 72 (3), pp.410. ⟨10.1209/epl/i2005-10259-y⟩
Article dans une revue hal-00170875v1
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Undissociated screw dislocations in silicon: calculations of core structure and energy

Laurent Pizzagalli , Pierre Beauchamp , Jacques Rabier
Philosophical Magazine a, 2003, 83 (10), pp.1191. ⟨10.1080/0141861031000071999⟩
Article dans une revue hal-00170990v1
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Ab initio molecular dynamics calculations of threshold displacement energies in silicon carbide

Guillaume Lucas , Laurent Pizzagalli
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2005, 72 (16), pp.161202R. ⟨10.1103/PhysRevB.72.161202⟩
Article dans une revue hal-00170874v1
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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-00170955v1
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First principles molecular dynamics calculations of the mechanical properties of endofullerenes containing noble gas atoms or small molecules

Laurent Pizzagalli
Physical Chemistry Chemical Physics, 2022, 24 (16), pp.9449-9458. ⟨10.1039/d2cp00622g⟩
Article dans une revue hal-03651039v1

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
Scientific Reports, 2017, 7, ⟨10.1038/s41598-017-12009-y⟩
Article dans une revue cea-02339914v1