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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. External link
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). External link
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). External link
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). External link
El-Mellouhi, F., & Mousseau, N. (2007, July). Ab-initio simulations of self-diffusion mechanisms in semiconductors [Paper]. 24th International Conference on Defects in Semiconductors (ICDS-24), Albuquerque, NM. Published in Physica B: Condensed Matter, 401-402. External link
El-Mellouhi, F., & Mousseau, N. (2006). Charge-dependent migration pathways for the Ga vacancy in GaAs. Physical Review B, 74(20), 205207 (9 pages). External link
El-Mellouhi, F., & Mousseau, N. (2006). Thermally activated charge reversibility of gallium vacancies in GaAs. Journal of Applied Physics, 100(8), 083521 (8 pages). External link
El-Mellouhi, F., & Mousseau, N. (2005). Self-vacancies in gallium arsenide: An ab initio calculation. Physical Review B, 71(12), 125207 (12 pages). External link
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). External link
Joly, J.-F., Béland, L. K., Brommer, P., El-Mellouhi, F., & Mousseau, N. (2011, June). Optimization of the Kinetic Activation-Relaxation Technique, an off-lattice and self-learning kinetic Monte-Carlo method [Paper]. High Performance Computing Symposium 2011, Montréal, Canada. Published in Journal of Physics: Conference Series, 341. External link
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. Available
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). External link
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. External link
Restrepo, Ó. 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. External link
Restrepo, Ó. 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. External link
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). External link
