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References

Articles:

Amaral-Labat, G., Szczurek, A., Fierro, V., Stein, N., Boulanger, C., Pizzi, A. and Celzard, A.
Biomass & Bioenergy, 39:274-282
2012

Equipe: Département CP2S : Chimie et électrochimie des matériaux

BUR, N., ROUX, S., GéRAUD, Y. and FEUGEAS, F.
European Journal of Environmental and Civil Engineering, 15(6):699-714
2012

Equipe: Département CP2S : Matériaux pour le Génie Civil

Kenzari, S., Bonina, D., Dubois, J. M. and Fournee, V.
MATERIALS & DESIGN, 35:691-695
2012
ISSN: 0261-3069

Equipe: Département CP2S : Métallurgie et Surfaces

Kenzari, S, Bonina, D, Dubois, JM and Fournée, V
Materials & Design, 35:691--695
2012

Equipe: Centre de Compétences : Matériaux et Procédés additifs

Briquet, L.G.V., Jana, A, Mether, L., Nordlund, K., Henrion, G., Philipp, P. and WIRTZ, T.
J. Phys. Cond. Mat., 24:395004 (13 pp)
2012

Resume: In this paper a new interatomic potential based on the Kieffer force field and designed to perform molecular dynamics (MD) simulations of carbon eposition on silicon surfaces is implemented. This potential is a third-order reactive force field that includes a dynamic charge transfer and allows for the formation and breaking of bonds. The parameters for Si-C and C-C interactions are optimized using a genetic algorithm. The quality of the potential is tested on its ability to model silicon carbide and diamond physical properties as well as the formation energies of point defects. Furthermore, MD simulations of carbon deposition on reconstructed (100) silicon surfaces are carried out and compared to similar simulations using a Tersoff-like bond order potential. Simulations with both potentials produce similar results showing the ability to extend the use of the Kieffer potential to deposition studies. The investigation reveals the presence of a channelling effect when depositing the carbon at 45 incidence angle. This effect is due to channels running in directions symmetrically equivalent to the (110) direction. The channelling is observed to a lesser extent for carbon atoms with 30 and 60 incidence angles relative to the surface normal. On a pristine silicon surface, sticking coefficients were found to vary between 100 and 73%, depending on deposition conditions.

Equipe: Département CP2S : Expériences et Simulations des Plasmas Réactifs - Interaction plasma-surface et Traitement des Surfaces ESPRITS

Girod, S., Bubendorff, J.-L., Montaigne, F., Simon, L., Lacour, D. and Hehn, M.
Nanotechnology, 23(36)
2012

Equipe: Département P2M : Nanomagnétisme et Electronique de Spin

Girod, S., Bubendorff, J.-L., Montaigne, F., Simon, L., Lacour, D. and Hehn, M.
Nanotechnology, 23(36)
2012

Equipe: Centre de Compétences : MiNaLor micro et nanotechnologies

Bartasyte, A., Elmazria, O., Gonzalez, M., Bouvot, L., Blampain, E. and Boulet, P.
2012
ISSN: 1099-4734

Equipe: Centre de Compétences : X-Gamma rayons X et spectroscopie

POLISHCHUK, S., Boulet, P., MEZIN, A., de Weerd, M.C., Weber, S., Ledieu, J., Dubois, J.M. and Fournee, V.
J. Mater. Res., 27-5:837-8443
2012

Equipe: Département CP2S : Métallurgie et Surfaces

Polishchuk, Sergey, Boulet, Pascal, Mezin, Andre, de Weerd, Marie-Cecile, Weber, Sylvain, Ledieu, Julian, Dubois, Jean-Marie and Fournee, Vincent
JOURNAL OF MATERIALS RESEARCH, 27(5):837-844
2012
ISSN: 0884-2914

Equipe: Département CP2S : Métallurgie et Surfaces

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