 | Monter d'un niveau |
Restrepo, O. A., Mousseau, N., Trochet, M., El-Mellouhi, F., Bouhali, O., & Becquart, C. S. (2018). Carbon diffusion paths and segregation at high-angle tilt grain boundaries in α-Fe studied by using a kinetic activation-relation technique. Physical Review B, 97(5), 054309. Lien externe
Sahputra, I. H., Chakrabarty, A., Restrepo, O., Bouhali, O., Mousseau, N., Becquart, C. S., & El-Mellouhi, F. (2017). Carbon adsorption on and diffusion through the Fe(110) surface and in bulk: Developing a new strategy for the use of empirical potentials in complex material set-ups. Physica Status Solidi B-Basic Solid State Physics, 254(2), 1600408 (10 pages). Lien externe
Restrepo, O. A., Becquart, C. S., El-Mellouhi, F., Bouhali, O., & Mousseau, N. (2017). Diffusion mechanisms of C in 100, 110 and 111 Fe surfaces studied using kinetic activation-relaxation technique. ACTA Materialia, 136, 303-314. Lien externe
Bentria, E. T., N'tsouaglo, G. K., Becquart, C. S., Bouhali, O., Mousseau, N., & El-Mellouhi, F. (2017). The role of emerging grain boundary at iron surface, temperature and hydrogen on metal dusting initiation. ACTA Materialia, 135, 340-347. Lien externe
Restrepo, O. A., Mousseau, N., El-Mellouhi, F., Bouhali, O., Trochet, M., & Becquart, C. S. (2016). Diffusion properties of Fe-C systems studied by using kinetic activation-relaxation technique. Computational Materials Science, 112, Part, 96-106. Lien externe
Chakrabarty, A., Bouhali, O., Mousseau, N., Becquart, C. S., & El-Mellouhi, F. (2016). Influence of surface vacancy defects on the carburisation of Fe 110 surface by carbon monoxide. Journal of Chemical Physics, 145(4), 044710 (10 pages). Lien externe
Mousseau, N., Béland, L. K., Brommer, P., Joly, J.-F., El-Mellouhi, F., Machado-Charry, E., Marinica, M.-C., & Pochet, P. (2012). The activation-relaxation technique: ART nouveau and kinetic ART. Journal of Atomic, Molecular, and Optical Physics, 2012, 1-14. Disponible
Joly, J.-F., Béland, L. K., Brommer, P., El-Mellouhi, F., & Mousseau, N. (juin 2011). Optimization of the Kinetic Activation-Relaxation Technique, an off-lattice and self-learning kinetic Monte-Carlo method [Communication écrite]. High Performance Computing Symposium 2011, Montréal, Canada. Publié dans Journal of Physics: Conference Series, 341. Lien externe
Béland, L. K., Brommer, P., El-Mellouhi, F., Joly, J.-F., & Mousseau, N. (2011). Kinetic activation-relaxation technique. Physical Review E, 84(4), 046704 (11 pages). Lien externe
El-Mellouhi, F., Mousseau, N., & Lewis, L. J. (2008). Kinetic activation-relaxation technique: An off-lattice self-learning kinetic Monte Carlo algorithm. Physical Review B, 78(15), 153202 (4 pages). Lien externe
El-Mellouhi, F., & Mousseau, N. (juillet 2007). Ab-initio simulations of self-diffusion mechanisms in semiconductors [Communication écrite]. 24th International Conference on Defects in Semiconductors (ICDS-24), Albuquerque, NM. Publié dans Physica B: Condensed Matter, 401-402. Lien externe
Malouin, M.-A., El-Mellouhi, F., & Mousseau, N. (2007). Gallium self-interstitial relaxation in GaAs: An ab initio characterization. Physical Review B, 76(4), 045211 (8 pages). Lien externe
El-Mellouhi, F., & Mousseau, N. (2006). Charge-dependent migration pathways for the Ga vacancy in GaAs. Physical Review B, 74(20), 205207 (9 pages). Lien externe
El-Mellouhi, F., & Mousseau, N. (2006). Thermally activated charge reversibility of gallium vacancies in GaAs. Journal of Applied Physics, 100(8), 083521 (8 pages). Lien externe
El-Mellouhi, F., & Mousseau, N. (2005). Self-vacancies in gallium arsenide: An ab initio calculation. Physical Review B, 71(12), 125207 (12 pages). Lien externe
El-Mellouhi, F., Mousseau, N., & Ordejón, P. (2004). Sampling the diffusion paths of a neutral vacancy in silicon with quantum mechanical calculations. Physical Review B, 70(20), 205202 (9 pages). Lien externe
