A diffusion-limited reaction model for self-propagating Al/Pt multilayers with quench limits

Kittell, David E.; Yarrington, Cole D.; Hobbs, M. L.; Abere, M. J.; Adams, D. P.

doi:10.1063/1.5025820

Title: A diffusion-limited reaction model for self-propagating Al/Pt multilayers with quench limits

Journal Article · Sat Apr 14 00:00:00 EDT 2018 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.5025820· OSTI ID:1432789

^[1]; Yarrington, Cole D. ^[1]; Hobbs, M. L. ^[1]; Abere, M. J. ^[1]; Adams, D. P. ^[1]

Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

A diffusion-limited reaction model was calibrated for Al/Pt multilayers ignited on oxidized silicon, sapphire, and tungsten substrates, as well as for some Al/Pt multilayers ignited as free-standing foils. The model was implemented in a finite element analysis code and used to match experimental burn front velocity data collected from several years of testing at Sandia National Laboratories. Moreover, both the simulations and experiments reveal well-defined quench limits in the total Al + Pt layer (i.e., bilayer) thickness. At these limits, the heat generated from atomic diffusion is insufficient to support a self-propagating wave front on top of the substrates. Quench limits for reactive multilayers are seldom reported and are found to depend on the thermal properties of the individual layers. Here, the diffusion-limited reaction model is generalized to allow for temperature- and composition-dependent material properties, phase change, and anisotropic thermal conductivity. Utilizing this increase in model fidelity, excellent overall agreement is shown between the simulations and experimental results with a single calibrated parameter set. However, the burn front velocities of Al/Pt multilayers ignited on tungsten substrates are over-predicted. Finally, possible sources of error are discussed and a higher activation energy (from 41.9 kJ/mol.at. to 47.5 kJ/mol.at.) is shown to bring the simulations into agreement with the velocity data observed on tungsten substrates. Finally, this higher activation energy suggests an inhibited diffusion mechanism present at lower heating rates.

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Research Organization:: Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC04-94AL85000; NA0003525

OSTI ID:: 1432789

Alternate ID(s):: OSTI ID: 1432583

Report Number(s):: SAND-2018-1350J; 660566; TRN: US1802362

Journal Information:: Journal of Applied Physics, Vol. 123, Issue 14; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 6 works

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References (37)

A generalized reduced model of uniform and self-propagating reactions in reactive nanolaminates Alawieh, Leen; Weihs, Timothy P.; Knio, Omar M. Combustion and Flame, Vol. 160, Issue 9 https://doi.org/10.1016/j.combustflame.2013.03.016	journal	September 2013
A Simplified Probabilistic Model of Self-Propagating Reactions in Randomly Layered Nanolaminates Knio, Omar M.; Besnoin, Etienne; Xun, Yuwei Journal of Computational and Theoretical Nanoscience, Vol. 6, Issue 10 https://doi.org/10.1166/jctn.2009.1286	journal	October 2009
The dynamics of Al/Pt reactive multilayer ignition via pulsed-laser irradiation Murphy, Ryan D.; Reeves, Robert V.; Yarrington, Cole D. Applied Physics Letters, Vol. 107, Issue 23 https://doi.org/10.1063/1.4937161	journal	December 2015
Conditions for combustion synthesis in nanosized Ni/Al films on a substrate Rabinovich, O. S.; Grinchuk, P. S.; Andreev, M. A. Physica B: Condensed Matter, Vol. 392, Issue 1-2 https://doi.org/10.1016/j.physb.2006.11.032	journal	April 2007
Effect of thermal properties on self-propagating fronts in reactive nanolaminates Alawieh, Leen; Knio, Omar M.; Weihs, Timothy P. Journal of Applied Physics, Vol. 110, Issue 1 https://doi.org/10.1063/1.3599847	journal	July 2011
Reactive multilayers fabricated by vapor deposition: A critical review Adams, D. P. Thin Solid Films, Vol. 576, p. 98-128 https://doi.org/10.1016/j.tsf.2014.09.042	journal	February 2015
Reactive nanolaminate pulsed-laser ignition mechanism: Modeling and experimental evidence of diffusion limited reactions Yarrington, C. D.; Abere, M. J.; Adams, D. P. Journal of Applied Physics, Vol. 121, Issue 13 https://doi.org/10.1063/1.4979578	journal	April 2017
Diffusion of197Pt and199Au in platinum at low temperatures Rein, G.; Mehrer, H.; Maier, K. Physica Status Solidi (a), Vol. 45, Issue 1 https://doi.org/10.1002/pssa.2210450130	journal	January 1978
Models for Gasless Combustion in Layered Materials and Random Media Armstrong, Robert Combustion Science and Technology, Vol. 71, Issue 4-6 https://doi.org/10.1080/00102209008951630	journal	June 1990
Numerical predictions of oscillatory combustion in reactive multilayers Jayaraman, S.; Knio, O. M.; Mann, A. B. Journal of Applied Physics, Vol. 86, Issue 2 https://doi.org/10.1063/1.370807	journal	July 1999
Impurity Diffusion of Fifth Period Solutes (Ru, Ag, Sn and Sb) in Liquid Aluminum [溶融アルミニウム中への第5周期元素（Ru, Ag, SnおよびSb）の不純物拡散] Ejima, Tatsuhiko; Yamamura, Tsutomu; Maki, Akira Journal of the Japan Institute of Metals, Vol. 45, Issue 3 https://doi.org/10.2320/jinstmet1952.45.3_336	journal	January 1981
Simulation of reactive nanolaminates using reduced models: I. Basic formulation Salloum, Maher; Knio, Omar M. Combustion and Flame, Vol. 157, Issue 2 https://doi.org/10.1016/j.combustflame.2009.06.019	journal	February 2010
Exothermic reactions in Co/Al nanolaminates Adams, D. P.; Hodges, V. C.; Bai, M. M. Journal of Applied Physics, Vol. 104, Issue 4, Article No. 043502 https://doi.org/10.1063/1.2968444	journal	August 2008
Nmr Measurement of the Diffusion Coefficient of pure Aluminum Fradin, F. Y.; Rowland, T. J. Applied Physics Letters, Vol. 11, Issue 6 https://doi.org/10.1063/1.1755100	journal	September 1967
Modeling and characterizing the propagation velocity of exothermic reactions in multilayer foils Mann, A. B.; Gavens, A. J.; Reiss, M. E. Journal of Applied Physics, Vol. 82, Issue 3 https://doi.org/10.1063/1.365886	journal	August 1997
Effects of physical properties of components on reactive nanolayer joining Wang, J.; Besnoin, E.; Knio, O. M. Journal of Applied Physics, Vol. 97, Issue 11 https://doi.org/10.1063/1.1915540	journal	June 2005
Bayesian Inference of Atomic Diffusivity in a Binary Ni/Al System Based on Molecular Dynamics Rizzi, F.; Salloum, M.; Marzouk, Y. M. Multiscale Modeling & Simulation, Vol. 9, Issue 1 https://doi.org/10.1137/10080590X	journal	January 2011
Propagation of gasless reactions in solids—I. Analytical study of exothermic intermetallic reaction rates Hardt, A. P.; Phung, P. V. Combustion and Flame, Vol. 21, Issue 1 https://doi.org/10.1016/0010-2180(73)90009-6	journal	August 1973
Impurity Diffusion in Aluminum Peterson, N. L.; Rothman, S. J. Physical Review B, Vol. 1, Issue 8 https://doi.org/10.1103/PhysRevB.1.3264	journal	April 1970
Effect of intermixing on self-propagating exothermic reactions in Al/Ni nanolaminate foils Gavens, A. J.; Van Heerden, D.; Mann, A. B. Journal of Applied Physics, Vol. 87, Issue 3, p. 1255-1263 https://doi.org/10.1063/1.372005	journal	February 2000
Size effect in self-propagating exothermic reaction of Al/Ni multilayer block on a Si wafer Namazu, Takahiro; Ito, Shun; Kanetsuki, Shunsuke Japanese Journal of Applied Physics, Vol. 56, Issue 6S1 https://doi.org/10.7567/JJAP.56.06GN11	journal	May 2017
Stability, thermal and mechanical properties of PtxAly compounds Feng, J.; Xiao, B.; Chen, J. Materials & Design, Vol. 32, Issue 6 https://doi.org/10.1016/j.matdes.2011.02.043	journal	June 2011
A Comparison of Three Methods for Selecting Values of Input Variables in the Analysis of Output from a Computer Code McKay, M. D.; Beckman, R. J.; Conover, W. J. Technometrics, Vol. 21, Issue 2 https://doi.org/10.2307/1268522	journal	May 1979
Exploring the reaction mechanism in self-propagating Al/Ni multilayers by adding inert material Grapes, Michael D.; Weihs, Timothy P. Combustion and Flame, Vol. 172 https://doi.org/10.1016/j.combustflame.2016.07.006	journal	October 2016
Self-diffusion in platinum Cattaneo, F.; Germagnoli, E.; Grasso, F. Philosophical Magazine, Vol. 7, Issue 80 https://doi.org/10.1080/14786436208213170	journal	August 1962
Heat transfer in reactive Co/Al nanolaminates Hobbs, M. L.; Adams, D. P.; McDonald, J. P. HEAT TRANSFER 2008, Advanced Computational Methods in Heat Transfer X https://doi.org/10.2495/HT080121	conference	June 2008
Self-propagating, high-temperature combustion synthesis of rhombohedral AlPt thin films Adams, D. P.; Rodriguez, M. A.; Tigges, C. P. Journal of Materials Research, Vol. 21, Issue 12 https://doi.org/10.1557/jmr.2006.0387	journal	December 2006
Effect of varying bilayer spacing distribution on reaction heat and velocity in reactive Al/Ni multilayers Knepper, Robert; Snyder, Murray R.; Fritz, Greg Journal of Applied Physics, Vol. 105, Issue 8, Article No. 083504 https://doi.org/10.1063/1.3087490	journal	April 2009
Self-propagating formation reactions in Nb/Si multilayers Reiss, M. E.; Esber, C. M.; Van Heerden, D. Materials Science and Engineering: A, Vol. 261, Issue 1-2 https://doi.org/10.1016/S0921-5093(98)01069-7	journal	March 1999
Simulation of reactive nanolaminates using reduced models: II. Normal propagation Salloum, Maher; Knio, Omar M. Combustion and Flame, Vol. 157, Issue 3 https://doi.org/10.1016/j.combustflame.2009.08.010	journal	March 2010
Thresholds for igniting exothermic reactions in Al/Ni multilayers using pulses of electrical, mechanical, and thermal energy Fritz, Gregory M.; Spey, Stephen J.; Grapes, Michael D. Journal of Applied Physics, Vol. 113, Issue 1 https://doi.org/10.1063/1.4770478	journal	January 2013
Effect of reactant and product melting on self-propagating reactions in multilayer foils Besnoin, Etienne; Cerutti, Stefano; Knio, Omar M. Journal of Applied Physics, Vol. 92, Issue 9 https://doi.org/10.1063/1.1509840	journal	November 2002
Simulation of reactive nanolaminates using reduced models: III. Ingredients for a general multidimensional formulation Salloum, Maher; Knio, Omar M. Combustion and Flame, Vol. 157, Issue 6 https://doi.org/10.1016/j.combustflame.2009.10.005	journal	June 2010
Impurity Diffusion of Fourth Period Solutes (Fe, Co, Ni, Cu and Ga) and Homovalent Solutes (In and Tl) into Molten Aluminum [溶融アルミニウム中への第4周期元素 (Fe, Co, Ni, CuおよびGa) および第III族元素 (InおよびTl) の不純物拡散] Ejima, Tatsuhiko; Yamamura, Tsutomu; Uchida, Naoto Journal of the Japan Institute of Metals, Vol. 44, Issue 3 https://doi.org/10.2320/jinstmet1952.44.3_316	journal	January 1980
Impurity diffusion activation energies in Al from first principles Simonovic, Darko; Sluiter, Marcel H. F. Physical Review B, Vol. 79, Issue 5 https://doi.org/10.1103/PhysRevB.79.054304	journal	February 2009
Impurity diffusion in aluminum Hirano, K.; Fujikawa, S. Journal of Nuclear Materials, Vol. 69-70 https://doi.org/10.1016/0022-3115(78)90275-1	journal	February 1978
A Comparison of Three Methods for Selecting Values of Input Variables in the Analysis of Output From a Computer Code Mckay, M. D.; Beckman, R. J.; Conover, W. J. Technometrics, Vol. 42, Issue 1 https://doi.org/10.1080/00401706.2000.10485979	journal	February 2000

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