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Grain size effects on Ni/Al nanolaminate combustion

Published online by Cambridge University Press:  06 March 2019

Brandon Witbeck  and
Douglas E. Spearot
Brandon Witbeck
Affiliation:
Department of Mechanical & Aerospace Engineering, University of Florida, Gainesville, Florida 32611, USA; and Air Force Research Lab, Munitions Directorate, Eglin AFB, Florida 32542, USA
Douglas E. Spearot*
Affiliation:
Department of Mechanical & Aerospace Engineering, University of Florida, Gainesville, Florida 32611, USA
*
a)Address all correspondence to this author. e-mail: dspearot@ufl.edu
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Abstract

Reactions in Ni/Al nanolaminates exhibit high combustion temperatures and wave speeds that are customizable through changes to nanostructure. Nanolaminates fabricated via vapor deposition exhibit columnar grains with average diameters on the order of the individual layer thickness; yet, their role on nanolaminate combustion has not been previously investigated. The current work uses molecular dynamics simulations to elucidate the effect of grain size on reaction rates and combustion temperatures in Ni/Al nanolaminates. Decreasing grain size is shown to increase reaction rates as well as increase peak temperatures consistent with the excess enthalpy of smaller grain sizes. Additionally, grain boundaries provide heterogenous nucleation sites for the diffusion-restricting B2–NiAl phase. Focusing on Ni diffusion into liquid Al, an effective diffusion coefficient is computed as a function of grain size, which may be used in thermodynamic models for this stage of the reaction.

Keywords

grain boundariesgrain sizereactivity
Type
Invited Paper
Information
Journal of Materials Research , Volume 34 , Issue 13: Focus Issue: Intrinsic and Extrinsic Size Effects in Materials , 15 July 2019 , pp. 2229 - 2238
Copyright
Copyright © Materials Research Society 2019 

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References

Rogachev, A.S.: Exothermic reaction waves in multilayer nanofilms. Russ. Chem. Rev. 77, 21 (2008).CrossRefGoogle Scholar
Mukasyan, A.S., Rogachev, A.S., and Aruna, S.T.: Combustion synthesis in nanostructured reactive systems. Adv. Powder Technol. 26, 954 (2015).CrossRefGoogle Scholar
Zhou, X., Shen, R., Ye, Y., Zhu, P., Hu, Y., and Wu, L.: Influence of Al/CuO reactive multilayer films additives on exploding foil initiator. J. Appl. Phys. 110, 094505 (2011).CrossRefGoogle Scholar
Qiu, X., Tang, R., Liu, R., Huang, H., Guo, S., and Yu, H.: A micro initiator realized by reactive Ni/Al nanolaminates. J. Mater. Sci.: Mater. Electron. 23, 2140 (2012).Google Scholar
Knepper, R., Snyder, M.R., Fritz, G., Fisher, K., Knio, O.M., and Weihs, T.P.: Effect of varying bilayer spacing distribution on reaction heat and velocity in reactive Al/Ni multilayers. J. Appl. Phys. 105, 083504 (2009).CrossRefGoogle Scholar
Politano, O. and Baras, F.: Molecular dynamics simulations of self-propagating reactions in Ni–Al multilayer nanofoils. J. Alloys Compd. 652, 25 (2015).CrossRefGoogle Scholar
Jayaraman, S., Mann, A.B., Weihs, T.P., and Knio, O.M.: A numerical study of unsteady self-propagating reactions in multilayer foils. Symp. (Int.) Combust. 27, 2459 (1998).CrossRefGoogle Scholar
Mann, A.B., Gavens, A.J., Reiss, M.E., Van Heerden, D., Bao, G., and Weihs, T.P.: Modeling and characterizing the propagation velocity of exothermic reactions in multilayer foils. J. Appl. Phys. 82, 1178 (1997).CrossRefGoogle Scholar
Gavens, A.J., Van Heerden, D., Mann, A.B., Reiss, M.E., and Weihs, T.P.: Effect of intermixing on self-propagating exothermic reactions in Al/Ni nanolaminate foils. J. Appl. Phys. 87, 1255 (2000).CrossRefGoogle Scholar
Crone, J.C., Knap, J., Chung, P.W., and Rice, B.M.: Role of microstructure in initiation of Ni–Al reactive multilayers. Appl. Phys. Lett. 98, 141910 (2011).CrossRefGoogle Scholar
Rogachev, A.S., Vadchenko, S.G., Baras, F., Politano, O., Rouvimov, S., Sachkova, N.V., Grapes, M.D., Weihs, T.P., and Mukasyan, A.S.: Combustion in reactive multilayer Ni/Al nanofoils: Experiments and molecular dynamic simulation. Combust. Flame 166, 158 (2016).CrossRefGoogle Scholar
Turlo, V., Politano, O., and Baras, F.: Alloying propagation in nanometric Ni/Al multilayers: A molecular dynamics study. J. Appl. Phys. 121, 055304 (2017).CrossRefGoogle Scholar
Witbeck, B., Sink, J., and Spearot, D.E.: Influence of vacancy defect concentration on the combustion of reactive Ni/Al nanolaminates. J. Appl. Phys. 124, 045105 (2018).CrossRefGoogle Scholar
Xu, R.G., Falk, M.L., and Weihs, T.P.: Interdiffusion of Ni–Al multilayers: A continuum and molecular dynamics study. J. Appl. Phys. 114, 163511 (2013).CrossRefGoogle Scholar
Turlo, V., Politano, O., and Baras, F.: Dissolution process at solid/liquid interface in nanometric metallic multilayers: Molecular dynamics simulations versus diffusion modeling. Acta Mater. 99, 363 (2015).CrossRefGoogle Scholar
Kelly, S.C. and Thadhani, N.N.: Shock compression response of highly reactive Ni + Al multilayered thin foils. J. Appl. Phys. 119, 095903 (2016).CrossRefGoogle Scholar
Jankowski, A.F.: Vapor deposition and characterization of nanocrystalline nanolaminates. Surf. Coat. Technol. 203, 484 (2008).CrossRefGoogle Scholar
Fritz, G.M., Grzyb, J.A., Knio, O.M., Grapes, M.D., and Weihs, T.P.: Characterizing solid-state ignition of runaway chemical reactions in Ni–Al nanoscale multilayers under uniform heating. J. Appl. Phys. 118, 135101 (2015).CrossRefGoogle Scholar
Turlo, V., Politano, O., and Baras, F.: Modeling self-sustaining waves of exothermic dissolution in nanometric Ni–Al multilayers. Acta Mater. 120, 189 (2016).CrossRefGoogle Scholar
Alawieh, L., Weihs, T.P., and Knio, O.M.: A generalized reduced model of uniform and self-propagating reactions in reactive nanolaminates. Combust. Flame 160, 1857 (2013).CrossRefGoogle Scholar
Mei, Q.S. and Lu, K.: Melting and superheating of crystalline solids: From bulk to nanocrystals. Prog. Mater. Sci. 52, 1175 (2007).CrossRefGoogle Scholar
Suzuki, A. and Mishin, Y.M.: Atomic mechanisms of grain boundary motion. Mater. Sci. Forum 502, 157 (2005).CrossRefGoogle Scholar
Rajgarhia, R.K., Spearot, D.E., and Saxena, A.: Plastic deformation of nanocrystalline copper-antimony alloys. J. Mater. Res. 25, 411 (2010).CrossRefGoogle Scholar
Yamakov, V., Wolf, D., Salazar, M., Phillpot, S.R., and Gleiter, H.: Length-scale effects in the nucleation of extended dislocations in nanocrystalline Al by molecular-dynamics simulation. Acta Mater. 49, 2713 (2001).CrossRefGoogle Scholar
Purja Pun, G.P. and Mishin, Y.: Development of an interatomic potential for the Ni–Al system. Philos. Mag. 89, 3245 (2009).CrossRefGoogle Scholar
Weingarten, N.S. and Rice, B.M.: A molecular dynamics study of the role of relative melting temperatures in reactive Ni/Al nanolaminates. J. Phys.: Condens. Matter 23, 275701 (2011).Google ScholarPubMed
Turlo, V., Baras, F., and Politano, O.: Comparative study of embedded-atom methods applied to the reactivity in the Ni–Al system. Modell. Simul. Mater. Sci. Eng. 25, 64002 (2017).CrossRefGoogle Scholar
Weingarten, N.S., Mattson, W.D., Yau, A.D., Weihs, T.P., and Rice, B.M.: A molecular dynamics study of the role of pressure on the response of reactive materials to thermal initiation. J. Appl. Phys. 107, 093517 (2010).CrossRefGoogle Scholar