Structure–property–performance linkages for heterogenous energetic materials through multi-scale modeling
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Addessio F, Luscher D, Cawkwell M, Ramos K (2017) A single-crystal model for the high-strain rate deformation of cyclotrimethylene trinitramine including phase transformations and plastic slip. J Appl Phys 121:185902
Anas Nassar NKR, Sen O, Udaykumar HS (2018) Multiscale shock-to-detonation simulation of pressed HMX, Part II: machine learned surrogate model for effect of loading and void size. Shock Waves 29(4):537–558
Barnes BC, Leiter KW, Larentzos JP, Brennan JK (2020) Forging of hierarchical multiscale capabilities for simulation of energetic materials. Propellants Explos Pyrotech 45:177–195
Barua A, Kim S, Horie Y, Zhou M (2013) Ignition criterion for heterogeneous energetic materials based on hotspot size-temperature threshold. J Appl Phys 113:064906
Bassett WP, Dlott DD (2016) Shock initiation of explosives: temperature spikes and growth spurts. Appl Phys Lett 109:091903
Campbell AW, Davis WC, Ramsay JB, Travis JR (1961) Shock initiation of solid explosives. Phys Fluids 4:511–521
Fehlberg E (1968) Classical fifth-, sixth-, seventh-, and eighth-order Runge-Kutta formulas with stepsize control. National Aeronautics and Space Administration.
Garcia F, Vandersall KS, Tarver CM (2014) Shock initiation experiments with ignition and growth modeling on low density HMX, J Phys: Conf Ser. IOP Publishing, p. 052048.
Gaul NJ (2014) Modified Bayesian Kriging for noisy response problems and Bayesian confidence-based reliability-based design optimization.
Handley CA, Lambourn BD, Whitworth NJ, James HR, Belfield WJ (2018) Understanding the shock and detonation response of high explosives at the continuum and meso scales. Appl Phys Rev 5:011303
James HR (1996) An extension to the critical energy criterion used to predict shock initiation thresholds. Propellants Explos Pyrotech 21:8–13
Johnson JN, Tang PK, Forest CA (1985) Shock-wave initiation of heterogeneous reactive solids. J Appl Phys 57:4323–4334
Kapahi A, Udaykumar HS (2013) Dynamics of void collapse in shocked energetic materials: physics of void–void interactions. Shock Waves 23:537–558
Kapahi A, Udaykumar H (2015) Three-dimensional simulations of dynamics of void collapse in energetic materials. Shock Waves 25:177–187
Kapila A, Schwendeman D, Bdzil J, Henshaw W (2007) A study of detonation diffraction in the ignition-and-growth model. Combust Theor Model 11:781–822
Kim S, Miller C, Horie Y, Molek C, Welle E, Zhou M (2016) Computational prediction of probabilistic ignition threshold of pressed granular octahydro-1, 3, 5, 7-tetranitro-1, 2, 3, 5-tetrazocine (HMX) under shock loading. J Appl Phys 120:115902
Kim S, Wei Y, Horie Y, Zhou M (2018) Prediction of shock initiation thresholds and ignition probability of polymer-bonded explosives using mesoscale simulations. J Mech Phys Solids 114:97–116
Lee EL, Tarver CM (1980) Phenomenological model of shock initiation in heterogeneous explosives. Phys Fluids 23:2362–2372
Lee S, Sen O, Rai NK, Gaul NJ, Choi KK, Udaykumar HS, (2019a) Effects of parametric uncertainty on multi-scale model predictions of shock response of a pressed energetic material. J Appl Phys, p. 125.
Lee S, Sen O, Rai NK, Gaul NJ, Choi KK, Udaykumar HS (2019) Effects of parametric uncertainty on multi-scale model predictions of shock response of a pressed energetic material. J Appl Phys 125:235104
Lee Perry W, Clements B, Ma X, Mang JT (2018) Relating microstructure, temperature, and chemistry to explosive ignition and shock sensitivity. Combust Flame 190:171–176
Leiter KW, Barnes BC, Becker R, Knap J (2018) Accelerated scale-bridging through adaptive surrogate model evaluation. J Comput Sci 27:91–106
Levesque GA, Vitello P (2015) The effect of pore morphology on hot spot temperature. Propellants Explos Pyrotech 40:303–308
Mang JT, Hjelm RP (2013) Fractal networks of inter-granular voids in pressed TATB. Propellants Explos Pyrotech 38:831–840
Massoni J, Saurel R, Baudin G, Demol G (1999) A mechanistic model for shock initiation of solid explosives. Phys Fluids 11:710–736
Menikoff R (1999) Granular explosives and initiation sensitivity. Los Alamos National Lab, Los Alamos
Menikoff R (2004) Pore collapse and hot spots in HMX. IOP Institute of Physics Publishing Ltd, pp. 393–396.
Menikoff R, Sewell TD (2002) Constituent properties of HMX needed for mesoscale simulations. Combust Theor Model 6:103–125
Menikoff R, Shaw MS (2012) The SURF model and the curvature effect for PBX 9502. Combust Theor Model 16:1140–1169
Molek C, Welle E, Wixom R, Ritchey M, Samuels P, Horie Y (2017) Microstructural characterization of pressed HMX material sets at differing densities, AIP Conference Proceedings. AIP Publishing, p. 040007.
Molek CD, Hardin DB, Mares JO, Vitarelli JP (2018) Microstructural effects on initiation threshold behavior of HMX based materials. Proceedings of the 16th Symposium (International) on Detonation, Cambridge, MA., p. 60.
Molek CD, Welle E, Eglin Air Force Base (2018) Personal comunication. Images courtesy of Ryan Wixom, Sandia National Laboratories.
Molek CD, Welle EJ, Mares JO, Vitarelli J, Hardin DB, Stuthers M (2020) Impact of void structure on initiation sensitivity. Propell Explos Pyrot 45:236–242
Nassar A, Rai NK, Sen O, Udaykumar H (2018a) Modeling mesoscale energy localization in shocked HMX, part I: machine-learned surrogate models for the effects of loading and void sizes. Shock Waves, pp. 1–22.
Nassar A, Rai NK, Sen O, Udaykumar H (2018) Modeling mesoscale energy localization in shocked HMX, part I: machine-learned surrogate models for the effects of loading and void sizes. J Shock Waves 29:537–558
Nassar A, Rai NK, Sen O, Udaykumar HS (2018) Modeling mesoscale energy localization in shocked HMX, part I: machine-learned surrogate models for the effects of loading and void sizes. Shock Waves 29:537–558
Nassar A, Rai NK, Sen O, Udaykumar H (2019) Modeling mesoscale energy localization in shocked HMX, Part I: machine-learned surrogate models for the effects of loading and void sizes. Shock Waves 29:537–558
Nichols A, Tarver CM (2002) A statistical hot spot reactive flow model for shock initiation and detonation of solid high explosives. Lawrence Livermore National Lab, CA
Odgaard A, Jensen EB, Gundersen HJ (1990) Estimation of structural anisotropy based on volume orientation. A new concept J Microsc 157:149–162
Omre H (1987) Bayesian kriging? Merging observations and qualified guesses in kriging. Math Geol 19:25–39
Rai NK, Udaykumar HS (2015) Mesoscale simulation of reactive pressed energetic materials under shock loading. J Appl Phys 118:245905
Rai NK, Udaykumar HS (2018) Three-dimensional simulations of void collapse in energetic materials. Phys Rev Fluids 3:033201
Rai NK, Udaykumar HS (2019a) Void collapse generated meso-scale energy localization in shocked energetic materials: Non-dimensional parameters, regimes, and criticality of hotspots. Phys Fluids 31:016103
Rai NK, Udaykumar HS (2019b) Void collapse generated meso-scale energy localization in shocked energetic materials: non-dimensional parameters, regimes, and criticality of hotspots. Phys Fluids 31:016103
Rai NK, Schmidt M, Udaykumar HS (2017) High resolution simulations of void collapse in energetic materials: effect of primary and secondary collapse on initiation thresholds. Phys Rev Fluids 2(4):043202
Rai NK, Schmidt M, UdayKumar HS (2017) Collapse of elongated voids in porous energetic materials: effect of void orientation and aspect ratio on initiation. Phys Rev Fluids 2(4):043201
Rai NK, Schmidt MJ, Udaykumar HS (2017a) Collapse of elongated voids in porous energetic materials: effects of void orientation and aspect ratio on initiation. Phys Rev Fluids 2:043201
Rai NK, Schmidt MJ, Udaykumar HS (2017b) High-resolution simulations of cylindrical void collapse in energetic materials: effect of primary and secondary collapse on initiation thresholds. Phys Rev Fluids 2:043202
Roy S, Rai NK, Sen O, Hardin DB, Diggs AS, Udaykumar HS (2019) Modeling mesoscale energy localization in shocked HMX, Part II: training machine-learned surrogate models for void shape and void–void interaction effects. Shock Waves 16:1–23
Roy S, Rai N, Sen O, Udaykumar H (2020) Structure–property linkage in shocked multi-material flows using a level-set-based Eulerian image-to-computation framework. Shock Waves 2020:1–30
Sen O, Davis S, Jacobs G, Udaykumar HS (2015) Evaluation of convergence behavior of metamodeling techniques for bridging scales in multi-scale multimaterial simulation. J Comput Phys 294:585–604
Sen O, Gaul NJ, Choi KK, Jacobs G, Udaykumar HS (2017) Evaluation of kriging based surrogate models constructed from mesoscale computations of shock interaction with particles. J Comput Phys 336:235–260
Sen O, Rai N, Diggs A, Hardin D, Udaykumar HS (2018) Multi-scale shock-to-detonation simulation of pressed energetic material: a meso-informed ignition and growth model. J Appl Phys 124:085110
Sewell TD, Menikoff R (2003) Complete equation of state for beta-HMX and implications for initiation. Am Inst Phys, p. 157.
Springer HK, Tarver CM, Bastea S (2015) Effects of high shock pressures and pore morphology. AIP Conference Proceedings 1793.
Strang G (1968) On the construction and comparison of difference schemes. SIAM J Numer Anal 5:506–517
Swantek AB, Austin JM (2010) Collapse of void arrays under stress wave loading. J Fluid Mech 649:399–427
Tarver CM, Chidester SK, Nichols AL (1996) Critical conditions for impact- and shock-induced hot spots in solid explosives†. J Phys Chem 100:5794–5799
Vandersall KS, Garcia F, Fried LE, Tarver CM (2014) Double shock experiments and reactive flow modeling on LX-17 to understand the reacted equation of state. J Phys Conf Ser 500.
Vanpoperynghe J, Sorel J, Aveille J, Adenis J (1985) Shock initiation of TATB and HMX explosive compositions, 8th Symposium (International) on Detonation, pp. 892–913.
Walker FE, Wasley RJ (1976) A general model for the shock initiation of explosives. Propellants Explos Pyrotech 1:73–80
Welle EJ, Molek CD, Wixom RR, Samuels P (2014) Microstructural effects on the ignition behavior of HMX. IOP Publishing.
Welle EJ, Wixom RR, Samuels P, Langhals JT (2015) Microstructure effects on the initiation threshold behavior of HMX and PBXN-5. 15th International Detonation Symposium 71.
Zhang J, Jackson TL (2017) Direct detonation initiation with thermal deposition due to pore collapse in energetic materials—towards the coupling between micro- and macroscale. Combust Theor Model 21:248–273