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Unité Matériaux et Transformations
CNRS UMR 8207 - Université de Lille

BECQUART Charlotte
Charlotte BECQUART
Professeur des Universités Centrale Lille Institut
Bâtiment C6 - 231
Unité Matériaux et Transformations
Cité scientifique, Bât. C6
Université de Lille
59655 Villeneuve d'Ascq
France
Tel: +33 (0) 320 43 49 44
Fax: +33 (0) 320 43 65 91
Courriel Envoyer un mel à  Charlotte BECQUART: Envoyer un mel à Charlotte BECQUART
Identifiant ORCID 0000-0002-0164-1745 : 0000-0002-0164-1745

Recherche

Simulations à l'échelle atomique du dommage d'irradiation dans les alliages métalliques (ab initio, dynamique moléculaire, monte carlo cinétique).

Enseignement

Métallurgie, thermodynamique appliquée à l'élaboration, modélisation, traitements de surface.

En poste depuis 1993 à l’Ecole Nationale Supérieure de Chimie de Lille, j’utilise et développe des moyens informatiques pour l'étude à l’échelle atomique de phénomènes de déformation, de changements de phases et d'endommagement. Les techniques que je mets en application sont la Dynamique Moléculaire (DM), les méthodes de Monte Carlo (MC) et des méthodes de calcul de structures utilisant les premiers principes (méthodes ab initio). Les thèmes de recherche abordés dans mon travail sont en grande partie centrés sur le dommage d’irradiation : les mécanismes de fragilisation des aciers de cuve des Réacteurs à Eau Pressurisée (REP) ne sont pas tous bien compris et les prédictions fondées sur des bases purement statistiques prenant en compte la composition chimique et la fluence ne correspondent pas aux résultats des essais du programme de surveillance. Les échelles de temps et d’espace des mécanismes élémentaires de la fragilisation correspondent de plus aux domaines accessibles par la simulation à l’échelle atomique. Dans le cadre de la fusion et de ITER, je travaille sur les matériaux du divertor (le tungstène).

Thèses soutenues

Derniers dépôts dans dans LillOA (Lille Open Archive)

Publications

  1. A. De Backer, A. Souidi, E.A. Hodille, E. Autissier, C. Genevois, F. Haddad, A. Della Noce, C. Becquart, M.-F. Barthe, A. De Backer, Readdressing nanocavity diffusion in tungsten, Frontiers in Nuclear Engineering 2, (2023), [doi: 10.3389/fnuen.2023.1240995, LillOA]
  2. .A. Restrepo, . Arnache, J. Restrepo, C. Becquart, Elastic properties and anisotropic effects on waves propagation of zinc-ferrite spinel systems as a function of pressure, Solid State Communications 372, 115312 (2023), [doi: 10.1016/j.ssc.2023.115312, LillOA]
  3. G.-F. Bouobda Moladje, L. Thuinet, C. Becquart, A. Legris, Radiation induced segregation near dislocations and symmetric tilt grain boundaries in Fe-Cr alloys: A phase-field study, Acta Materialia 225, 117523 (2022), [doi: 10.1016/j.actamat.2021.117523, LillOA]
  4. C. Lapointe, T.D. Swinburne, L. Proville, C. Becquart, N. Mousseau, M.-C. Marinica, Machine learning surrogate models for strain-dependent vibrational properties and migration rates of point defects, Physical Review Materials 6;11, 113803 (2022), [doi: 10.1103/physrevmaterials.6.113803, LillOA]
  5. .A. Restrepo, . Arnache, J. Restrepo, C. Becquart, N. Mousseau, Structural modeling of ZnFe2O4 systems using Buckingham potentials with static molecular dynamics, Solid State Communications 114914 (2022), [doi: 10.1016/j.ssc.2022.114914, LillOA]
  6. .A. Restrepo, . Arnache, J. Restrepo, C. Becquart, N. Mousseau, Comparison of bulk basic properties with different existing Ni-Fe-O empirical potentials for Fe3O4 and NiFe2O4 spinel ferrites, Computational Materials Science 111653 (2022), [doi: 10.1016/j.commatsci.2022.111653, LillOA]
  7. M. Lloyd, A. London, J. Haley, M. Gilbert, C. Becquart, C. Domain, E. Martinez, M. Moody, P. Bagot, D. Nguyen-Manh, D. Armstrong, Interaction of transmutation products with precipitates, dislocations and grain boundaries in neutron irradiated W, Materialia 101370 (2022), [doi: 10.1016/j.mtla.2022.101370, LillOA]
  8. E. Tayeb Bentria, S. Omotayo Akande, A. Ramesh, N. Laycock, W. Hamer, N. Mousseau, C. Becquart, O. Bouhali, F. El-Mellouhi, Insights on the effect of water content in carburizing gas mixtures on the metal dusting corrosion of iron, Applied Surface Science 579, 152138 (2021), [doi: 10.1016/j.apsusc.2021.152138, LillOA]
  9. L. Malerba, N. Anento, J. Balbuena, C. Becquart, N. Castin, M. Caturla, C. Domain, C. Guerrero, C. Ortiz, B. Pannier, A. Serra, Physical mechanisms and parameters for models of microstructure evolution under irradiation in Fe alloys – Part I: Pure Fe, Nuclear Materials and Energy 101069 (2021), [doi: 10.1016/j.nme.2021.101069, LillOA]
  10. M.M. Rahman, F. El-Mellouhi, O. Bouhali, C. Becquart, N. Mousseau, Pressure effect on diffusion of carbon at the 85.91∘⟨100⟩ symmetric tilt grain boundary of α-iron, Physical Review Materials 5;4, 043605 (2021), [doi: 10.1103/physrevmaterials.5.043605, LillOA]
  11. A. De Backer, C. Becquart, P. Olsson, C. Domain, Modelling the primary damage in Fe and W: influence of the short-range interactions on the cascade properties: Part 2 – multivariate multiple linear regression analysis of displacement cascades, Journal of Nuclear Materials 549, 152887 (2021), [doi: 10.1016/j.jnucmat.2021.152887, LillOA]
  12. C. Becquart, A. De Backer, P. Olsson, C. Domain, Modelling the primary damage in Fe and W: Influence of the short range interactions on the cascade properties: Part 1 – Energy transfer, Journal of Nuclear Materials 152816 (2021), [doi: 10.1016/j.jnucmat.2021.152816, LillOA]
  13. E. Toijer, L. Messina, C. Domain, J. Vidal, C. Becquart, P. Olsson, Solute-point defect interactions, coupled diffusion, and radiation-induced segregation in fcc nickel, Physical Review Materials 5;1, (2021), [doi: 10.1103/physrevmaterials.5.013602, LillOA]
  14. E.T. Bentria, S.O. Akande, C. Becquart, N. Mousseau, O. Bouhali, F. El-Mellouhi, Capturing the Iron Carburization Mechanisms from the Surface to Bulk, The Journal of Physical Chemistry C 124;52, 28569-28579 (2020), [doi: 10.1021/acs.jpcc.0c09001, LillOA]
  15. Y. Wang, K. Li, F. Soisson, C. Becquart, Combining DFT and CALPHAD for the development of on-lattice interaction models: The case of Fe-Ni system, Physical Review Materials 4;11, 113801 (2020), [doi: 10.1103/physrevmaterials.4.113801, LillOA]
  16. C. Lapointe, T.D. Swinburne, L. Thiry, S. Mallat, L. Proville, C. Becquart, M.-C. Marinica, Machine learning surrogate models for prediction of point defect vibrational entropy, Physical Review Materials 4;6, (2020), [doi: 10.1103/PhysRevMaterials.4.063802, LillOA]
  17. P.N. Babu, C. Becquart, S. Pal, Molecular dynamics simulation-based study of creep–ratcheting behavior of nanocrystalline aluminum, Applied Nanoscience (2020), [doi: 10.1007/s13204-020-01595-5, LillOA]
  18. G.-F. Bouobda Moladje, L. Thuinet, C. Becquart, A. Legris, A phase field model for dislocation climb under irradiation: Formalism and applications to pure bcc iron and ferritic alloys, International Journal of Plasticity 102810 (2020), [doi: 10.1016/j.ijplas.2020.102810, LillOA]
  19. G.-F. Bouobda Moladje, L. Thuinet, C. Domain, C. Becquart, A. Legris, Phase-field calculations of sink strength in Al, Ni, and Fe: A detailed study of elastic effects, Computational Materials Science 109905 (2020), [doi: 10.1016/j.commatsci.2020.109905, LillOA]
  20. R. Alexander, L. Proville, C. Becquart, A.M. Goryeava, J. Dérès, C. Lapointe, M.-C. Marinica, Interatomic potentials for irradiation-induced defects in iron, Journal of Nuclear Materials 152141 (2020), [doi: 10.1016/j.jnucmat.2020.152141, LillOA]
  21. S. Pal, P.N. Babu, B. Gargeya, C. Becquart, Molecular Dynamics simulation based investigation of possible enhancement in strength and ductility of nanocrystalline aluminum by CNT reinforcement, Materials Chemistry and Physics 122593 (2020), [doi: 10.1016/j.matchemphys.2019.122593, LillOA]

Liste complète (Le lien peut être lent)

Communications

  1. A. Debacker, A. Souidi, E. Hodille, C. Becquart, C. Domain, M.-F. Barthe, Modelling and experimental validation of the formation of nanocavities in tungsten, Poster, 6th Nuclear Materials Conference (NuMat 2020), Online, Belgique, Oct 2020 [LillOA]
  2. A. Theodorou, M. Syskaki, Z. Kotsina, M. Axiotis, G. Apostopoulos, A. Debacker, C. Becquart, C. Domain, P. Olsson, Reactions between irradiation defects and carbon in proton irradiated α-Fe; comparison of resistivity recovery experiments and kinetic Monte-Carlo simulations, Poster, 6th Nuclear Materials Conference (NuMat 2020), Online, Belgique, Oct 2020 [LillOA]
  3. C. Domain, A. Debacker, J. Vidal, C. Becquart, Insights of statistics and large atomic mechanism database for microstructure modelling under irradiation, Communication dans un congrès sans actes, 6th Nuclear Materials Conference (NuMat 2020), Online, Belgique, Oct 2020 [LillOA]
  4. C. Paré, J. Vidal, C. Domain, C. Becquart, Solute segregation at grain boundaries in Fe at the atomic scale, Poster, 6th Nuclear Materials Conference (NuMat 2020), Online, Belgique, Oct 2020 [LillOA]
  5. C. Domain, C. Becquart, Multi-scale modelling of microstructure evolution under irradiation — importance of statistics and large atomic mechanism database, Conférence invitée, The 15th conference of COmputer Simulation of IRradiation Effects in Solids (COSIRES 2022), Porquerolles, France, Mai 2022 [LillOA]
  6. A. Nair, C. Becquart, C. Domain, A. Debacker, Modeling the primary damage in nickel and nickel-based alloys: a statistical study, Poster, The 15th conference of COmputer Simulation of IRradiation Effects in Solids (COSIRES 2022), Porquerolles, France, Mai 2022 [LillOA]
  7. A. Nair, C. Becquart, C. Domain, A. Debacker, The influence of cascade energy, cascade morphology and atypical cascades in primary damage: a statistical study on nickel and nickel based alloys, Communication dans un congrès sans actes, 2022 Nuclear Materials Conference (NuMAT 2022), Gent, Belgique, Oct 2022 [LillOA]
  8. A. Debacker, A. Souidi, E. Hodille, E. Autissier, F. Haddad, C. Genevois, A. Della Noce, C. Domain, C. Becquart, M.-F. Barthe, Multiobjective Optimization Of The Diffusion Properties Of Nanocavities In Metallic Tungsten, Communication dans un congrès sans actes, The 10th International Conference on Multiscale Materials Modeling (MMM-10), Baltimore, MD, Etats-Unis d'Amérique, Oct 2022 [LillOA]
  9. D. Nguyen, M. Lloyd, J. Wrobel, M. Klimenkov, L. Messina, S.L. Dudarev, E. Martinez, C. Becquart, C. Domain, First-principles modelling of transmutation induced segregation in neutron-irradiated W(Re,Os) system at high temperature, Communication dans un congrès sans actes, The 15th conference of COmputer Simulation of IRradiation Effects in Solids (COSIRES 2022), Porquerolles, France, Mai 2022 [LillOA]
  10. C. Becquart, A. Debacker, C. Domain, A. Nair, Modelling the primary damage in Fe and W: influence of the short range interactions on the cascade properties, Communication dans un congrès sans actes, The 15th conference of COmputer Simulation of IRradiation Effects in Solids (COSIRES 2022), Porquerolles, France, Mai 2022 [LillOA]

Liste complète (Le lien peut être lent)

 
 
UMET - Unité Matériaux et Transformations
CNRS UMR 8207
Université de Lille
Bâtiment C6
59655 Villeneuve d'Ascq
France
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