Documents publiés en "2018"

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

Becquart, C. S., Mousseau, N., & Domain, C. (2018). Atomistic Kinetic Monte Carlo and Solute Effects. Dans Andreoni, W., & Yip, S. (édit.), Handbook of Materials Modeling (p. 1-20). Lien externe

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. Lien externe

Henkelman, G., Jónsson, H., Lelièvre, T., Mousseau, N., & Voter, A. F. (2018). Long-Timescale Simulations: Challenges, Pitfalls, Best Practices, for Development and Applications. Dans Andreoni, W., & Yip, S. (édit.), Handbook of Materials Modeling : Methods, Theory and Modeling (10 pages). Lien externe

Jay, A., Hémeryck, A., Richard, N., Martin-Samos, L., Raine, M., Le Roch, A., Mousseau, N., Goiffon, V., Paillet, P., Gaillardin, M., & Magnan, P. (2018). Simulation of Single-Particle Displacement Damage in Silicon. Part III: First Principle Characterization of Defect Properties. IEEE Transactions on Nuclear Science, 65(2), 724-731. Lien externe

Mahmoud, S., & Mousseau, N. (2018). Long-time point defect diffusion in ordered nickel-based binary alloys: How small kinetic differences can lead to completely long-time structural evolution. Materialia, 4, 575-584. Lien externe

Mahmoud, S., Trochet, M., Restrepo, O. A., & Mousseau, N. (2018). Study of point defects diffusion in nickel using kinetic activation-relaxation technique. ACTA Materialia, 144(Supplement), 679-690. Lien externe

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

Trochet, M., Mousseau, N., Béland, L. K., & Henkelman, G. (2018). Off-Lattice Kinetic Monte Carlo Methods. Dans Handbook of Materials Modeling (p. 1-29). Lien externe