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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
Candela, R., Gelin, S., Mousseau, N., Veiga, R., Domain, C., Perez, M., & Becquart, C. S. (2020). Investigating the kinetics of the formation of a C Cottrell atmosphere around a screw dislocation in bcc iron: a mixed-lattice atomistic kinetic Monte-Carlo analysis. Journal of Physics: Condensed Matter, 33(6), 11 pages. External link
Candela, R., Becquart, C. S., Domain, C., Mousseau, N., & Veiga, R. (2018). Interaction between interstitial carbon atoms and an ½ 〈111〉 self-interstitial atoms loop in an iron matrix: a combined DFT, off lattice KMC and MD study. Journal of Physics: Condensed Matter, 30(33), 335901. 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
Chakrabarty, A., Bouhali, O., Mousseau, N., Becquart, C. S., & El-Mellouhi, F. (2016). Insights on finite size effects in ab initio study of CO adsorption and dissociation on Fe 110 surface. Journal of Applied Physics, 120(5), 055301. 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, 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. External link
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. 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
