Search - CEA - Commissariat à l’énergie atomique et aux énergies alternatives Access content directly

Filter your results

29 Results
authFullName_s : Jean-Paul Crocombette

Cell Molecular Dynamics for Cascades (CMDC): A new tool for cascade simulation

Jean-Paul Crocombette , Thomas Jourdan
Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 2015, 352, pp.9-13. ⟨10.1016/j.nimb.2014.12.009⟩
Journal articles cea-03190089v1

Pressure, relaxation volume, and elastic interactions in charged simulation cells

Fabien Bruneval , Céline Varvenne , Jean-Paul Crocombette , Emmanuel Clouet
Physical Review B, 2015, 91 (2), ⟨10.1103/PhysRevB.91.024107⟩
Journal articles cea-03188722v1
Image document

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⟩
Journal articles hal-02193081v1
Image document

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⟩
Journal articles hal-03034474v1
Image document

Molecular dynamics simulations of high energy cascade in ordered alloys: Defect production and subcascade division

Laurence Luneville , Jean-Paul Crocombette , Laurent van Brutzel , David Simeone , Laurence Lunéville
Journal of Nuclear Materials, 2016, 474, pp.134-142. ⟨10.1016/j.jnucmat.2016.03.020⟩
Journal articles hal-02429493v1

Simulation of uranium dioxide polymorphs and their phase transitions

Paul C. M. Fossati , Laurent van Brutzel , Alain Chartier , Jean-Paul Crocombette
Physical Review B, 2013, 88 (21), pp.214112. ⟨10.1103/PhysRevB.88.214112⟩
Journal articles hal-03550946v1
Image document

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⟩
Journal articles hal-03764295v1

Clusters of Oxygen Interstitials in UO$_{2+x}$ and $\alpha$-U$_4$O$_9$: Structure and Arrangements

Aurélien Soulié , Gianguido Baldinozzi , Frédérico Garrido , Jean-Paul Crocombette
Inorganic Chemistry, 2019, 58 (19), pp.12678-12688. ⟨10.1021/acs.inorgchem.9b01483⟩
Journal articles hal-02350385v1

Quantitative electronic stopping power from localized basis set

Ivan Maliyov , Jean-Paul Crocombette , Fabien Bruneval
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2020, 101, pp.035136. ⟨10.1103/PhysRevB.101.035136⟩
Journal articles cea-02454608v1
Image document

Quick calculation of damage for ion irradiation: implementation in Iradina and comparisons to SRIM

Jean-Paul Crocombette , Christian Van Wambeke
EPJ N - Nuclear Sciences & Technologies, 2019, 5, pp.7. ⟨10.1051/epjn/2019003⟩
Journal articles cea-02304265v1

A defect model for UO$_{2+x}$ based on electrical conductivity and deviation from stoichiometry measurements

Philippe Garcia , Elisabetta Pizzi , Boris Dorado , David A. Andersson , Jean-Paul Crocombette , et al.
Journal of Nuclear Materials, 2017, 494, pp.461 - 472. ⟨10.1016/j.jnucmat.2017.03.033⟩
Journal articles hal-01614248v1
Image document

The influence of irradiation induced vacancies on the mobility of helium in boron carbide

Kevin Gillet , Guido Roma , Jean-Paul Crocombette , Dominique Gosset
Journal of Nuclear Materials, 2018, 512, pp.288-296. ⟨10.1016/j.jnucmat.2018.10.020⟩
Journal articles cea-02339428v1

Role of displacement cascades in Ni clustering in a ferritic Fe-3.3at.%Ni model alloy: comparison of heavy and light particle irradiations

Lisa Belkacémi , Estelle Meslin , Brigitte Décamps , Jean-Paul Crocombette , Olivier Tissot , et al.
Scripta Materialia, 2020, 188, pp.169-173. ⟨10.1016/j.scriptamat.2020.07.031⟩
Journal articles cea-02932370v1

New developments in the simulation of Rutherford backscattering spectrometry in channeling mode using arbitrary atom structures

Xin Jin , Jean-Paul Crocombette , Flyura Djurabekova , Shuo Zhang , Kai Nordlund , et al.
Modell.Simul.Mater.Sci.Eng., 2020, 28 (7), pp.075005. ⟨10.1088/1361-651x/ab81a9⟩
Journal articles hal-02953156v1
Image document

How relative defect migration energies drive contrasting temperature-dependent microstructural evolution in irradiated ceramics

Aurélien Debelle , Jean-Paul Crocombette , Alexandre Boulle , Enrique Martínez , Blas Pedro Uberuaga , et al.
Physical Review Materials, 2018, 2 (8), ⟨10.1103/PhysRevMaterials.2.083605⟩
Journal articles hal-02193035v1

Atomistically-informed thermal glide model for edge dislocations in uranium dioxide

Aurélien Soulié , Jean-Paul Crocombette , Antoine Kraych , Frédérico Garrido , Gaël Sattonnay , et al.
Acta Materialia, 2018, 150, pp.248-261. ⟨10.1016/j.actamat.2018.03.024⟩
Journal articles hal-02429515v1
Image document

Défauts ponctuels et irradiation dans les oxydes : simulations à l'échelle atomique (HDR)

Jean-Paul Crocombette
Physique [physics]. Université de Marne la Vallée, 2005
Habilitation à diriger des recherches tel-00011337v1
Image document

Interactions of hydrogen with zirconium alloying elements and oxygen vacancies in monoclinic zirconia

Emile Haurat , Marc Tupin , Jean-Paul Crocombette
Acta Materialia, 2022, 225, pp.117547. ⟨10.1016/j.actamat.2021.117547⟩
Journal articles cea-03885931v1
Image document

Lattice constant in nonstoichiometric uranium dioxide from first principles

Fabien Bruneval , Michel Freyss , Jean-Paul Crocombette
Physical Review Materials, 2018, 2, pp.023801. ⟨10.1103/PhysRevMaterials.2.023801⟩
Journal articles cea-02063621v1

Oxygen diffusion model of the mixed (U,Pu)O2 ± x: Assessment and application

Emily Moore , Christine Guéneau , Jean-Paul Crocombette
Journal of Nuclear Materials, 2017, 485, pp.216-230. ⟨10.1016/j.jnucmat.2016.12.026⟩
Journal articles cea-02381332v1
Image document

Influence of vibrational entropy on the concentrations of oxygen interstitial clusters and uranium vacancies in non-stoichiometric UO$_2$

Aurélien Soulié , Fabien Bruneval , Mihai-Cosmin Marinica , Samuel Murphy , Jean-Paul Crocombette
Physical Review Materials, 2018, 2, pp.083607. ⟨10.1103/PhysRevMaterials.2.083607⟩
Journal articles cea-02340007v1
Image document

State of the art of fuel micro-mechanical modelling: From atomic scale to engineering laws in fuel performance codes

Bruno Michel , Michael Welland , Nana Ofori-Opoku , Laurent Vanbrutzel , Katalin Kulacsy , et al.
Journal of Nuclear Materials, 2022, 572, pp.154034. ⟨10.1016/j.jnucmat.2022.154034⟩
Journal articles irsn-03940475v1
Image document

Ab-initio calculations of hydrogen diffusion coefficient in monoclinic zirconia

Orane Barbour , Jean-Paul Crocombette , Thomas Schuler , Marc Tupin
Journal of Nuclear Materials, 2020, 539, pp.152333. ⟨10.1016/j.jnucmat.2020.152333⟩
Journal articles cea-03169490v1

Cell Molecular Dynamics for Cascade (CMDC): Molecular dynamics simulation of cascades for realistic ion energies

Jean-Paul Crocombette
Computational Materials Science, 2018, 147, pp.168-175. ⟨10.1016/j.commatsci.2018.02.008⟩
Journal articles cea-02443544v1
Image document

A molecular dynamics study of a cascade induced irradiation creep mechanism in pure copper

Nargisse Khiara , Fabien Onimus , Jean-Paul Crocombette , Laurent Dupuy , Thomas Pardoen , et al.
Journal of Nuclear Materials, 2022, 560, pp.153518. ⟨10.1016/j.jnucmat.2022.153518⟩
Journal articles hal-04064965v1

Nature and Behaviour of Point Defects in UO2 Based on an Experimental and Theoretical Study of Electrical and Atomic Transport Properties

Philippe Garcia , Elizabetta Pizzi , David Simeone , Gianguido Baldinozzi , David A. Andersson , et al.
Symposium HH – Advances in Materials for Nuclear Energy, Nov 2012, Boston, United States
Conference papers hal-00761368v1

Effect of disorder on the metal-insulator transition of vanadium oxides: Local versus global effects

Juan Gabriel Ramirez , Thomas Saerbeck , Siming Wang , J. Trastoy , M. Malnou , et al.
Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2015, 91 (20), ⟨10.1103/PhysRevB.91.205123⟩
Journal articles cea-02384456v1

Effect of the variation of the electronic density of states of zirconium and tungsten on their respective thermal conductivity evolution with temperature

Jean-Paul Crocombette , Paul Notargiacomo , M-C Marinica
Journal of Physics: Condensed Matter, 2015, 27 (16), pp.165501. ⟨10.1088/0953-8984/27/16/165501⟩
Journal articles cea-02384785v1
Image document

A novel displacement cascade driven irradiation creep mechanism in $\alpha$-zirconium: A molecular dynamics study

Nargisse Khiara , Fabien Onimus , Laurent Dupuy , Wassim Kassem , Jean-Paul Crocombette , et al.
Journal of Nuclear Materials, 2020, 541, pp.152336. ⟨10.1016/j.jnucmat.2020.152336⟩
Journal articles hal-03491637v1