| People | Locations | Statistics |
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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Politano, Olivier
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (11/11 displayed)
- 2024Directional solidification of Cu with dispersed W nanoparticles: a molecular dynamics study in the context of additive manufacturing
- 2024Effect of hydrogen on the chemical state, stoichiometry and density of amorphous Al 2 O 3 films grown by thermal atomic layer depositioncitations
- 2024Effect of hydrogen on the chemical state, stoichiometry and density of amorphous Al<sub>2</sub>O<sub>3</sub> films grown by thermal atomic layer depositioncitations
- 2023Atomistic simulations of the crystalline-to-amorphous transformation of gamma-Al2O3 nanoparticles: delicate interplay between lattice distortions, stresses, and space chargescitations
- 2023Atomistic simulations of the crystalline-to-amorphous transformation of γ -Al 2 O 3 nanoparticles: delicate interplay between lattice distortions, stresses, and space chargescitations
- 2023A molecular dynamics study of Ag-Ni nanometric multilayers: thermal behavior and stabilitycitations
- 2021Mechanical activation of metallic powders and reactivity of activated nanocomposites: a molecular dynamics approachcitations
- 2021Effects of mechanical activation on chemical homogeneity and contamination level in dual-phase AlCoCrFeNi high entropy alloycitations
- 2014Tools for studying water vapor at high temperatures
- 2012Study of the reactive dynamics of nanometric metallic multilayers using Molecular Dynamics: the Al−Ni systemcitations
- 2009Variable-charge method applied to study coupled grain boundary migration in the presence of oxygencitations
Places of action
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article
Study of the reactive dynamics of nanometric metallic multilayers using Molecular Dynamics: the Al−Ni system
Abstract
International audience ; A molecular dynamics study of a layered Ni-Al-Ni system is developed using an embedded atom method potential. The specific geometry is designed to model a Ni-Al nanometric metallic multilayer. The system is initially thermalized at the fixed temperature of 600 K. We first observe the interdiffusion of Ni and Al at the interfaces, which is followed by the spontaneous phase formation of B2-NiAl in the Al layer. The solid-state reaction is associated with a rapid system's heating which further enhances the diffusion processes. NiAl phase is organized in small regions separated by grain boundaries. This study confirms the hypothesis of a layer-by-layer development of the new phase. For longer times, the temperature is notably higher (> 1000 K) and the system may partly lose some its B2-NiAl microstructure in favor of the formation of Ni3Al in L12 configuration. This work shows the spontaneous development of a real exothermic solid-state reaction in metallic nanosystems mostly constituted by interfaces.