journal article
Jun 01, 2022
Multi-scale modeling of shock initiation of a pressed energetic material. II. Effect of void–void interactions on energy localization
Abstract
Heterogeneous energetic materials (EMs) contain microstructural defects such as voids, cracks, interfaces, and delaminated zones. Under shock loading, these defects offer potential sites for energy localization, i.e., hotspot formation. In a porous EM, the collapse of one void can generate propagating blast waves and hotspots that can influence the hotspot phenomena at neighboring voids. Such void–void interactions must be accounted for in predictive multi-scale models for the reactive response of a porous EM. To infuse such meso-scale phenomena into a multi-scale framework, a meso-informed ignition and growth model (MES-IG) has been developed, where the influence of void–void interactions is incorporated into the overall reaction rate through a function, fv−v. Previously, MES-IG was applied to predict the sensitivity and reactive response of EM, where fv−v was assumed to be a function of the overall sample porosity alone. This paper performs a deeper analysis to model the strong dependency of fv−v on other factors, such as void size and shock strength. The improved model for void–void interactions produces good agreement with direct numerical simulations of the HE microstructures and, thus, advances the predictive capability of multi-scale models of the shock response and sensitivity of EM.
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References
64
[1]
"Hot spot ignition mechanisms for explosives" Acc. Chem. Res. (2002) 10.1021/ar00023a002
[2]
"Critical conditions for impact-and shock-induced hot spots in solid explosives" J. Phys. Chem. (1996) 10.1021/jp953123s
[3]
"Pore collapse and hot spots in HMX" AIP Conf. Proc. (2004) 10.1063/1.1780261
[4]
"Hot-spot ignition mechanisms for explosives and propellants" Philos. Trans. R. Soc. London Ser. A (1992) 10.1098/rsta.1992.0034
[5]
"Modeling mesoscale energy localization in shocked HMX, part I: Machine-learned surrogate models for the effects of loading and void sizes" Shock Waves (2019) 10.1007/s00193-018-0874-5
[6]
"Understanding the shock and detonation response of high explosives at the continuum and meso scales" Appl. Phys. Rev. (2018) 10.1063/1.5005997
[7]
[8]
"Multi-scale shock-to-detonation simulation of pressed energetic material: A meso-informed ignition and growth model" J. Appl. Phys. (2018) 10.1063/1.5046185
[9]
"Modeling mesoscale energy localization in shocked HMX, part II: Training machine-learned surrogate models for void shape and void-void interaction effects" Shock Waves (2020) 10.1007/s00193-019-00931-1
[10]
"Structure-property-performance linkages for heterogenous energetic materials through multi-scale modeling" Multiscale Multidiscip. Model. Exp. Des. (2020) 10.1007/s41939-020-00075-1
[11]
"Structure-property linkage in shocked multi-material flows using a level-set-based Eulerian image-to-computation framework" Shock Waves (2020) 10.1007/s00193-020-00947-y
[12]
"Computing continuum-level explosive shock and detonation response over a wide pressure range from microstructural details" Combust. Flame (2021) 10.1016/j.combustflame.2021.111470
[13]
"The SURF model and the curvature effect for PBX 9502" Combust. Theory Modell. (2012) 10.1080/13647830.2012.713994
[14]
"Hierarchical multiscale framework for materials modeling: Equation of state implementation and application to a Taylor anvil impact test of RDX" AIP Conf. Proc. (2017) 10.1063/1.4971607
[15]
"Multi-scale modeling of shock initiation of a pressed energetic material I: The effect of void shapes on energy localization" J. Appl. Phys. (2022) 10.1063/5.0068715
[16]
"Detonation wave profiles in HMX based explosives" AIP Conf. Proc. (1998) 10.1063/1.55674
[17]
"Critical energy criterion for the shock initiation of explosives by projectile impact" Propellants Explos. Pyrotech. (1988) 10.1002/prep.19880130202
[18]
"An extension to the critical energy criterion used to predict shock initiation thresholds" Propellants Explos. Pyrotech. (1996) 10.1002/prep.19960210103
[19]
"Multi-scale shock-to-detonation simulation of pressed energetic material: A meso-informed ignition and growth model" J. Appl. Phys. (2018) 10.1063/1.5046185
[20]
(2015)
[21]
"Evaluation of multifidelity surrogate modeling techniques to construct closure laws for drag in shock-particle interactions" J. Comput. Phys. (2018) 10.1016/j.jcp.2018.05.039
[22]
"Evaluation of kriging based surrogate models constructed from mesoscale computations of shock interaction with particles" J. Comput. Phys. (2017) 10.1016/j.jcp.2017.01.046
[23]
"Evaluation of convergence behavior of metamodeling techniques for bridging scales in multi-scale multimaterial simulation" J. Comput. Phys. (2015) 10.1016/j.jcp.2015.03.043
[24]
"Deep learning for synthetic microstructure generation in a materials-by-design framework for heterogeneous energetic materials" Sci. Rep. (2020) 10.1038/s41598-020-70149-0
[25]
"Synthetic microstructures for meso-scale simulations of energetic materials I: Generation using deep feature representation" J. Appl. Phys. (2022) 10.1063/5.0065294
[26]
"Synthetic microstructures for meso-scale simulations of energetic materials II: Quantification of shock sensitivity" J. Appl. Phys. (2022) 10.1063/5.0065298
[27]
(2014)
[28]
"Mesoscale simulation of reactive pressed energetic materials under shock loading" J. Appl. Phys. (2015) 10.1063/1.4938581
[29]
(2015)
[30]
"Complete equation of state for beta-HMX and implications for initiation" AIP Conf. Proc. (2003) 10.1063/1.1780207
[31]
(1995)
[32]
"Constituent properties of HMX needed for mesoscale simulations" Combust. Theory Modell. (2002) 10.1088/1364-7830/6/1/306
[33]
"Simulation of high speed impact, penetration and fragmentation problems on locally refined Cartesian grids" J. Comput. Phys. (2013) 10.1016/j.jcp.2012.10.031
[34]
"Collapse of elongated voids in porous energetic materials: Effects of void orientation and aspect ratio on initiation" Phys. Rev. Fluids (2017) 10.1103/physrevfluids.2.043201
[35]
"High-resolution simulations of cylindrical void collapse in energetic materials: Effect of primary and secondary collapse on initiation thresholds" Phys. Rev. Fluids (2017) 10.1103/physrevfluids.2.043202
[36]
"VODE: A variable-coefficient ODE solver" SIAM J. Sci. Stat. Comput. (1989) 10.1137/0910062
[37]
"Modeling the effects of shock pressure and pore morphology on Hot spot mechanisms in HMX" Propellants Explos. Pyrotech. (2018) 10.1002/prep.201800082
[38]
"Void collapse generated meso-scale energy localization in shocked energetic materials: Non-dimensional parameters, regimes, and criticality of hotspots" Phys. Fluids (2019) 10.1063/1.5067270
[39]
"High-order ENO schemes applied to 2-dimensional and 3-dimensional compressible flow" Appl. Numer. Math. (1992) 10.1016/0168-9274(92)90066-m
[40]
"An Eulerian method for computation of multimaterial impact with ENO shock-capturing and sharp interfaces" J. Comput. Phys. (2003) 10.1016/s0021-9991(03)00027-5
[41]
"Total variation diminishing Runge-Kutta schemes" Math. Comput. (1998) 10.1090/s0025-5718-98-00913-2
[42]
"Mechanics of shock induced pore collapse in poly(methyl methacrylate) (PMMA): Comparison of simulations and experiments" J. Mech. Phys. Solids (2020) 10.1016/j.jmps.2020.104075
[43]
"Macro-scale sensitivity through meso-scale hotspot dynamics in porous energetic materials: Comparing the shock response of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) and 1,3,5,7-tetranitro-1,3,5,7-tetrazoctane (HMX)" J. Appl. Phys. (2020) 10.1063/5.0010492
[44]
"Evaluation of reaction kinetics models for meso-scale simulations of hotspot initiation and growth in HMX" Combust. Flame (2020) 10.1016/j.combustflame.2020.05.020
[45]
(1999)
[46]
"Level set methods for fluid interfaces" Annu. Rev. Fluid Mech. (2003) 10.1146/annurev.fluid.35.101101.161105
[47]
De "A Levelset-based sharp-interface modified ghost fluid method for high-speed multiphase flows and multi-material hypervelocity impact" (2020)
[48]
"A three-dimensional sharp interface Cartesian grid method for solving high speed multi-material impact, penetration and fragmentation problems" J. Comput. Phys. (2013) 10.1016/j.jcp.2013.01.007
[49]
"Parallel, sharp interface Eulerian approach to high-speed multi-material flows" Comput. Fluids (2013) 10.1016/j.compfluid.2012.06.024
[50]
"Techniques to derive geometries for image-based Eulerian computations" Eng. Comput. (2014) 10.1108/ec-06-2012-0145
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Details
- Published
- Jun 01, 2022
- Vol/Issue
- 131(21)
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Authors
Funding
Air Force Research Laboratory
Award: FA8651-16-1-0005
Air Force Office of Scientific Research
Award: FA9550-15RWCOR123
Cite This Article
Yen T. Nguyen, Pradeep K. Seshadri, Oishik Sen, et al. (2022). Multi-scale modeling of shock initiation of a pressed energetic material. II. Effect of void–void interactions on energy localization. Journal of Applied Physics, 131(21). https://doi.org/10.1063/5.0090225
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