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Computational diffraction reveals long-range strains, disorder and crystalline domains in atomic scale simulations

Alexandre Boulle , Alain Chartier , Aurélien Debelle , Xin Jin , Jean-Paul Crocombette
Pré-publication, Document de travail hal-03293459v1
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Basic study of the relaxation volume of crystalline defects in bcc iron

M. El-Bakouri El-Haddaji , J.-P. Crocombette , Alexandre Boulle , A. Chartier , A. Debelle
Computational Materials Science, 2022, 215, pp.111816. ⟨10.1016/j.commatsci.2022.111816⟩
Article dans une revue hal-03901572v1
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Lattice strain in irradiated materials unveils a prevalent defect evolution mechanism

Aurélien Debelle , Jean-Paul Crocombette , Alexandre Boulle , Alain Chartier , Thomas Jourdan , et al.
Physical Review Materials, 2018, 2 (1), pp.013604. ⟨10.1103/PhysRevMaterials.2.013604⟩
Article dans une revue hal-02193081v1
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Interplay between atomic disorder, lattice swelling and defect energy in ion-irradiation-induced amorphization of SiC

A. Debelle , Alexandre Boulle , A. Chartier , F. Gao , W. J. Weber
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2014, 90 (17), ⟨10.1103/PhysRevB.90.174112⟩
Article dans une revue hal-02194005v1
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Strain and damage build-up in irradiated crystals : Coupling X-ray diffraction with numerical simulations

Alexandre Boulle , A. Chartier , J.-P. Crocombette , T. Jourdan , S. Pellegrino , et al.
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2019, 458, pp.143-150. ⟨10.1016/j.nimb.2018.11.048⟩
Article dans une revue hal-02192777v1
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Analysis of strain and disordering kinetics based on combined RBS-channeling and X-ray diffraction atomic-scale modelling

Xin Jin , Alexandre Boulle , Alain Chartier , Jean-Paul Crocombette , Aurelien Debelle
Acta Materialia, 2020, 201, pp.63-71. ⟨10.1016/j.actamat.2020.09.076⟩
Article dans une revue hal-03034474v1
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Computational diffraction reveals long-range strains, distortions and disorder in molecular dynamics simulations of irradiated single crystals

Alexandre Boulle , Alain Chartier , Aurélien Debelle , Xin Jin , Jean-Paul Crocombette
Journal of Applied Crystallography, 2022, 55 (2), pp.296-309. ⟨10.1107/S1600576722001406⟩
Article dans une revue hal-03764295v1

Experimental and computational investigation of the ion-beam-induced amorphization and recrystallization processes in SiC

A. Debelle , L. Thomé , F. Garrido , Alexandre Boulle , A. Chartier , et al.
MRS Spring Meeting 2016, Mar 2016, Phoenix, United States
Communication dans un congrès hal-01870102v1

Radiation damage in materials: coupling X-ray diffraction with multi-scale numerical simulations

Alexandre Boulle , A. Chartier , J.P. Crocombette , T. Jourdan , S. Pellegrino , et al.
E-MRS 2018 Spring Meeting, Jun 2018, Strasbourg, France
Communication dans un congrès hal-02138920v1
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Structural Aspects of the Superionic Transition in AX2 Compounds With the Fluorite Structure

Paul Fossati , Alain Chartier , Alexandre Boulle
Frontiers in Chemistry, 2021, 9, pp.723507. ⟨10.3389/fchem.2021.723507⟩
Article dans une revue hal-03385662v1

Computational RBS/C method based on Molecular Dynamic simulations for investigating irradiation induced defect: UO2 as test-case material

X. Jin , Alexandre Boulle , A. Chartier , Jp. Crocombette , F. Garrido , et al.
IBA 2019 - 24th International Conference on Ion Beam Analysis, Oct 2019, Antibes, France
Poster de conférence hal-02438583v1