Search Results - "Mastail, C."

Determination of vacancy migration enthalpy in a series of ternary iron-chromium-nickel alloys through Monte Carlo simulations of ordering kinetics using a vacancy diffusion mechanism by Benkaddour, M, Bahia, D, Mastail, C, Benkaddour, A

“…We have performed Monte Carlo simulations to calculate Isothermal electrical resistivity curves over time at T’ = 700°K and T’’ = 800°K temperatures. These…”
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Multiscale Modeling of the Atomic Layer Deposition of HfO2 Thin Film Grown on Silicon: How to Deal with a Kinetic Monte Carlo Procedure by Dkhissi, A, Estève, A, Mastail, C, Olivier, S, Mazaleyrat, G, Jeloaica, L, Djafari Rouhani, M

“…An original integrated approach developed within a multiscale strategy, which combines first-principles quantum simulations and kinetic Monte Carlo (KMC), is…”
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Introducing densification mechanisms into the modelling of HfO2 atomic layer deposition by Mastail, C., Lanthony, C., Olivier, S., Ducéré, J.-M., Landa, G., Estève, A., Djafari Rouhani, M., Richard, N., Dkhissi, A.

“…Density functional theory calculations are used to highlight some basics of the densification mechanisms arising during atomic layer deposition of HfO2 onto…”
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Defect generation during silicon oxidation: A Kinetic Monte Carlo study by Ali-Messaoud, A., Chikouche, A., Estève, A., Hemeryck, A., Lanthony, C., Mastail, C., Djafari Rouhani, M.

“…We present a synthetic review of elementary chemical mechanisms source of the oxidation of pure silicon (100) surfaces. These mechanisms are then discussed…”
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Ti, Al and N adatom adsorption and diffusion on rocksalt cubic AlN (001) and (011) surfaces: Ab initio calculations by Mastail, C., David, M., Nita, F., Michel, A., Abadias, G.

“…[Display omitted] •DFT studies of Ti, Al, and N species adsorption and diffusion on (100) and (110) AlN surfaces.•Preferential diffusion direction for all…”
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Impact of Ge alloying on the early growth stages, microstructure and stress evolution of sputter-deposited Cu-Ge thin films by Furgeaud, C., Simonot, L., Michel, A., Mastail, C., Abadias, G.

“…The effect of Ge alloying on the growth morphology and intrinsic stress evolution during deposition of Cu thin films is investigated using in situ and real…”
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Multiscale Modeling of the Atomic Layer Deposition of HfO 2 Thin Film Grown on Silicon: How to Deal with a Kinetic Monte Carlo Procedure by Dkhissi, A., Estève, A., Mastail, C., Olivier, S., Mazaleyrat, G., Jeloaica, L., Djafari Rouhani, M.

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