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67documents trouvés

16410
01/06/2017

A multi-phase micro-kinetic model for simulating aluminium based thermite reaction

V.BAIJOT, M.DJAFARI ROUHANI, C.ROSSI, A.ESTEVE

NEO

Revue Scientifique : Combustion and Flame, Vol.180, pp.10-19, Juin 2017 , N° 16410

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Abstract

This paper presents a hierarchical multiscale approach based on a micro-kinetic model enabling to predict temperature, pressure and species generated during the thermite reaction of Al nanoparticles mixed with CuO nanoparticles. Overall, our phenomenological model integrates and combines series of complex atomistic mechanisms, e.g. diffusion and phase transformation, gas phase reactions and interphase exchange mechanisms, in particular molecular condensation, evaporation and decomposition. Thermodynamics considerations as well as Density Functional Theory (DFT) calculations are used to implement rate equations expressing the complex reactions at solid/liquid/gas interphases. We demonstrate that the model can predict the pressure–time dependence, the different phases and compositions with good accuracy at significantly low computational cost. The influence of Al and CuO particle size, compaction or density, alumina shell thickness and stoichiometry on the pressure and temperature versus time is theoretically predicted with fairly good agreement with available experimental data. A maximum pressure of 47 MPa and adiabatic temperature of 3500 K are obtained at high compaction, i.e. 50% of the TMD (Theoretical Maximum Density) for stoichiometric mixture, where AlO is shown to be the prevailing gaseous species. At low compaction, we highlight the role of ambient oxygen condition for which the model gives a maximal pressure of 4.2 MPa for Al rich mixtures (stoichiometric ratio of 1.2).

139192
17087
22/05/2017

A multi-phase micro-kinetic model for simulating the combustion of aluminothermites: case of Al/CuO powder mixtures

V.BAIJOT, M.DJAFARI ROUHANI, C.ROSSI, A.ESTEVE

NEO

Affiche/Poster : E-MRS Spring Meeting 2017 du 22 mai au 26 mai 2017, Strasbourg (France), Mai 2017, 1p. , N° 17087

Non diffusable

139522
17088
22/05/2017

On-chip ignition of Al/CuO reactive multilayers: influence of the heating surface area and substrate nature

A.NICOLLET, L.MARIN MERCADO, A.BELISARIO, C.ROSSI

NEO

Manifestation avec acte : E-MRS Spring Meeting 2017 du 22 mai au 26 mai 2017, Strasbourg (France), Mai 2017, 1p. , N° 17088

Diffusable

139524
17094
12/04/2017

Design and evaluation of a smart insole: application for continuous monitoring of frail people at home

Y.CHARLON, E.CAMPO, D.BRULIN

S4M

Rapport LAAS N°17094, Avril 2017, 19p.

Diffusable

139534
17098
12/04/2017

Basic mechanisms of Al interaction with the ZnO surface

Y.GAO, L.MARIN MERCADO, E.C.MATTSON, J.CURE, C.E.NANAYAKKARA, J.F.VEYAN, A.LUCERO, J.KIM, C.ROSSI, A.ESTEVE, Y.J.CHABAL

University of Texas, NEO

Rapport LAAS N°17098, Avril 2017, 32p.

Diffusable

139539
17096
12/04/2017

Etat de l'art sur les études de vieillissement des nanomatériaux réactifs déposés en couches minces multiples

A.LAHIMER, A.ESTEVE, C.ROSSI

INSAT Tunis, NEO

Rapport de Contrat : Collaboration de recherche CNRS-LAAS/CEA-DAM n° 148672, Avril 2017, 25p. , N° 17096

Diffusion restreinte

139537
17097
12/04/2017

Approche méthodologique pluridisciplinaire pour l'observation de la prise en main de technologies numériques par des personnes âgées

N.VIGOUROUX, E.CAMPO, C.GRIMAUD, F.VELLA, E.BOUGEOIS

IRIT-UPS, S4M, AG2R La Mondiale, LERASS

Rapport LAAS N°17097, Avril 2017, 19p.

Diffusable

139538
17093
12/04/2017

Design and evaluation of a connected insole to support healthy aging of frail patients at home

Y.CHARLON, A.PIAU, D.BRULIN, E.CAMPO

S4M, CHU Toulouse

Rapport LAAS N°17093, Avril 2017, 10p.

Diffusable

139533
16457
01/03/2017

Dioxygen molecule adsorption and oxygen atom diffusion on clean and defective Aluminum (111) surface using first principles calculations

A.HEMERYCK, M.GUILTAT, M.BRUT, S.VIZZINI

M3, IM2NP

Revue Scientifique : Surface Science, Vol.657, pp.79-89, Mars 2017 , N° 16457

Lien : https://hal.archives-ouvertes.fr/hal-01407658

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Abstract

First principles calculations are conducted to investigate kinetic behavior of oxygen species at the surface of clean and defective Al(111) substrate. Oxygen island, aluminum vacancy, aluminum sub-vacancy, aluminum ad-atom and aluminum terraces defects are addressed. Adsorption of oxygen molecule is first performed on all these systems resulting in dissociated oxygen atoms in main cases. The obtained adsorbed configurations are then picked to study the behavior of atomic oxygen specie and get a detailed understanding on the effect of the local environment on the ability of the oxygen atom to diffuse on the surface. We pointed out that local environment impacts energetics of oxygen atom diffusion. Close packed oxygen island, sub-vacancy and ad-atoms favor oxygen atom stability and decrease mobility of oxygen atom on the surface, to be seen as surface area for further nucleation of oxygen island.

138449
17084
01/03/2017

Innovating in energetic materials from the bottom

C.ROSSI

NEO

Rédacteur invité : Propellants, Explosive, Pyrotechnics, Mars 2017, Vol.42, pp.235-236 , N° 17084

Diffusable

139517
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