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Documents dont l'auteur est "Becquart, Charlotte"

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Nombre de documents: 8

Article de revue

Restrepo, Ó. A., Becquart, C., & Mousseau, N. (2024). Diffusion mechanisms for spinel ferrite NiFe2O4 by using kinetic activation–relaxation technique. The Journal of Chemical Physics, 161(9), 094307 (15 pages). Lien externe

Lapointe, C., Swinburne, T. D., Proville, L., Becquart, C., Mousseau, N., & Marinica, M.-C. (2022). Machine learning surrogate models for strain-dependent vibrational properties and migration rates of point defects. Physical Review Materials, 6(11), 113803 (15 pages). Lien externe

Restrepo, Ó. A., Arnache, Ó., Restrepo, J., Becquart, C., & Mousseau, N. (2022). Structural modeling of ZnFe₂O₄ systems using Buckingham potentials with static molecular dynamics. Solid State Communications, 354, 114914 (9 pages). Lien externe

Restrepo, Ó. A., Arnache, Ó., Restrepo, J., Becquart, C., & Mousseau, N. (2022). Comparison of bulk basic properties with different existing Ni-Fe-O empirical potentials for Fe₃O₄ and NiFe₂O₄ spinel ferrites. Computational Materials Science, 213, 111653 (16 pages). Lien externe

Rahman, M. M., El-Mellouhi, F., Bouhali, O., Becquart, C., & Mousseau, N. (2021). Pressure effect on diffusion of carbon at the 85.91∘〈100〉 symmetric tilt grain boundary of α-iron. Physical Review Materials, 5(4), 043605 (11 pages). Lien externe

Chakrabarty, A., Bentria, E. T., Akande Omotayo, S., Bouhali, O., Mousseau, N., Becquart, C., & El-Mellouhi, F. (2019). Elucidating the role of extended surface defects at Fe surfaces on CO adsorption and dissociation. Applied Surface Science, 491, 792-798. Lien externe

Adhikari, K., Chakrabarty, A., Bouhali, O., Mousseau, N., Becquart, C., & El-Mellouhi, F. (2018). Benchmarking the performance of plane-wave vs. localized orbital basis set methods in DFT modeling of metal surface: a case study for Fe-(110). Journal of Computational Science, 29, 163-167. Lien externe

Chapitre de livre

Becquart, C., Mousseau, N., & Domain, C. (2019). Kinetic Monte Carlo Simulations of Irradiation Effects. Dans Konings, R. J. M., & Stoller, R. E. (édit.), Comprehensive Nuclear Materials (2e éd., p. 754-778). Lien externe

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