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Unité Matériaux et Transformations
CNRS UMR 8207 - Université de Lille

BECQUART Charlotte
Charlotte BECQUART
Professor
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
Email Send an email to  Charlotte BECQUART: Send an email to Charlotte BECQUART
ORCID Identifier 0000-0002-0164-1745 : 0000-0002-0164-1745

Research

Simulations at the atomistic level of radiation damage in metallic alloys (ab initio calculations, molecular dynamics, kinetic monte carlo).

Teaching

Metallurgy, applied thermodynamics, modelling and surface treatments.

Defended PhD thesis

Latest scientific contributions in 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]

Full list (The link could be slow)

Conference presentations

  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, May 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, May 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, May 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, May 2022 [LillOA]

Full list (The link could be slow)

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