A diffusion–reaction scheme for modeling ignition and self-propagating reactions in Al/CuO multilayered thin films

Lahiner, Guillaume; Nicollet, Andréa; Zapata, James; Marìn, Lorena; Richard, Nicolas; Rouhani, M. Djafari; Rossi, Carole; Estève, Alain

doi:10.1063/1.5000312

Cited by 36 publications

(51 citation statements)

References 37 publications

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“…The results plotted in Figure 11 and 12 demonstrate several key trends discussed previously by [10,39]. The sustained combustion velocity increases for thinner bilayers.…”

Section: Effect Of Multilayer Strcuture On Combustion Velocitymentioning

confidence: 98%

“…The pre-exponent and activation energy parameters of the Arrhenius law are, as usual, fitted to experimental measurements of Review C. Rossi 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 self-propagating reaction front. This modelling scheme has been applied to Al/CuO multilayers [39,45,46]. In [39], the model considers that the Al/CuO reaction follows three chemical phase transitions (see Figure 13): the CuO first decomposes into Cu 2 O at a low temperature, and the free oxygen atoms diffuse across the Al 2 O 3 layers to oxidize the Al layer close to the interface.…”

Section: Sustained Combustion Modelmentioning

confidence: 99%

“…This modelling scheme has been applied to Al/CuO multilayers [39,45,46]. In [39], the model considers that the Al/CuO reaction follows three chemical phase transitions (see Figure 13): the CuO first decomposes into Cu 2 O at a low temperature, and the free oxygen atoms diffuse across the Al 2 O 3 layers to oxidize the Al layer close to the interface. This first step induces an increase of the Al 2 O 3 thickness.…”

Section: Sustained Combustion Modelmentioning

confidence: 99%

“…The multilayers are composed of n 300 nm thick 1 : 1 Al/CuO bilayers and are deposited on Kapton. Taken from[39].…”

mentioning

confidence: 99%

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Engineering of Al/CuO Reactive Multilayer Thin Films for Tunable Initiation and Actuation

Rossi

2018

Propellants Explo Pyrotec

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Sputter‐deposited Al/CuO multilayers represent the state‐of‐the‐art of energetic nanomaterials for tunable ignition and actuation because their theoretical energy densities are significantly higher than most conventional secondary explosives while being less sensitive to undesired initiation. Both the sensitivity and combustion properties (temperature, combustion velocity and products of reaction) can be manipulated via the layering, reactant spacing and stoichiometry of the multilayer and, to a lesser extent, via interface engineering. In this article, we first describe the technology of deposition of Al/CuO multilayers focusing on direct current sputter deposition followed by a comprehensive review of the materials structural characteristics. Next, experimental and theoretical works performed on these reactive multilayered materials to date is presented in terms of methods used, the results acquired on ignition and combustion properties, and conclusions drawn. Emphasis is placed on several studies elucidating the fundamental processes that underlie propagating combustion reactions. This paper provides a good support for engineers to safely propose Al/CuO multilayers structure to regulate the energy release rates and ignition threshold in order to manufacture high performance and tunable initiator devices.

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“…The results plotted in Figure 11 and 12 demonstrate several key trends discussed previously by [10,39]. The sustained combustion velocity increases for thinner bilayers.…”

Section: Effect Of Multilayer Strcuture On Combustion Velocitymentioning

confidence: 98%

Section: Sustained Combustion Modelmentioning

confidence: 99%

Section: Sustained Combustion Modelmentioning

confidence: 99%

“…The multilayers are composed of n 300 nm thick 1 : 1 Al/CuO bilayers and are deposited on Kapton. Taken from[39].…”

mentioning

confidence: 99%

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Engineering of Al/CuO Reactive Multilayer Thin Films for Tunable Initiation and Actuation

Rossi

2018

Propellants Explo Pyrotec

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“…Often for practical reasons, only first-order functions are considered which cannot interpret complex redox reaction and multiple phase transformation mechanisms, which may interfere within a single DSC peak. That is why we also developed an alternative method for the derivation of activation energies which is based on the setting up of a Fick diffusion equation implemented in the Deal & Grove formulation [15], coupled with a thermal equation. Recently, this coupled approach enabled us to propose a combustion model that was inaugurated to perform flame velocity prediction in Al/CuO multilayers, assuming a simple and reduced set of mechanisms [7].…”

Section: Theoretical Approachmentioning

confidence: 99%

A redox reaction model for self-heating and aging prediction of Al/CuO multilayers

Lahiner

Zappata

Cure

et al. 2019

Combustion Theory and Modelling

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Sputter-deposited Al/CuO multilayers capable of highly energetic reactions have been the subject of intense studies for tunable initiation and actuation. Designing high performance Al/CuO-based initiator devices definitively requires reliable prediction of their ignition and reaction kinetics including self-heating or aging as a function of heating rate and environmental conditions. The paper proposes a heterogeneous reaction model integrating an ensemble of basic mechanisms (oxygen diffusion, structural transformations, polymorphic phase changes) that have been collected from recent experimental investigations. The reaction model assumes that the rate of reaction is limited by the transport of oxygen across the growing layer of Al2O3 separating Al and CuO. Importantly, we show that the model predicts reasonably all exotherms through a wide range of temperature (ambient -1000 °C), all resulting from a pure diffusion process as experimentally observed for such Al/CuO multilayers. The model shows how the temperature ramp affects the structure of the multilayer and especially the growth of alumina-based interfacial regions. It highlights the importance of the interfacial chemistry evolution such as the native mixture of AlxCuyOz transformation into a thin amorphous alumina, and the polymorphic phase transformation of this latter. The first one occurring at ~350 °C results in a loss of continuity of the interface leading to the accelerated redox 2 reaction whereas the second one occurring between 500 and 600 °C produces a denser barrier to oxygen diffusion leading to the stop of redox reaction. We finally use the model to simulate thermal annealing as usually performed in accelerated aging experiments. We theoretically observe and experimentally validate that a two weeks exposure of the multilayers at 200 °C starts degrading the multilayers thermal properties whereas when the temperature remains below 200 °C, the material keeps its entire integrity.

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Recent Advances in Preparation and Reactivity of Metastable Intermixed Composites

Nie

Yan

2023

Nano and Micro‐Scale Energetic Materials

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A diffusion–reaction scheme for modeling ignition and self-propagating reactions in Al/CuO multilayered thin films

Abstract: International audienc

Cited by 36 publications

References 37 publications

Engineering of Al/CuO Reactive Multilayer Thin Films for Tunable Initiation and Actuation

Engineering of Al/CuO Reactive Multilayer Thin Films for Tunable Initiation and Actuation

A redox reaction model for self-heating and aging prediction of Al/CuO multilayers

Recent Advances in Preparation and Reactivity of Metastable Intermixed Composites

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