Extended asymmetric hot region formation due to shockwave interactions following void collapse in shocked high explosive

Shan, Tzu -Ray; Wixom, Ryan R.; Thompson, Aidan P.

doi:10.1103/PhysRevB.94.054308

Title: Extended asymmetric hot region formation due to shockwave interactions following void collapse in shocked high explosive

Journal Article · Mon Aug 01 00:00:00 EDT 2016 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.94.054308· OSTI ID:1310267

Shan, Tzu -Ray ^[1]; Wixom, Ryan R. ^[2]; Thompson, Aidan P. ^[2]

Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Materials Design, Inc., San Diego, CA (United States)
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

In both continuum hydrodynamics simulations and also multimillion atom reactive molecular dynamics simulations of shockwave propagation in single crystal pentaerythritol tetranitrate (PETN) containing a cylindrical void, we observed the formation of an initial radially symmetric hot spot. By extending the simulation time to the nanosecond scale, however, we observed the transformation of the small symmetric hot spot into a longitudinally asymmetric hot region extending over a much larger volume. Performing reactive molecular dynamics shock simulations using the reactive force field (ReaxFF) as implemented in the LAMMPS molecular dynamics package, we showed that the longitudinally asymmetric hot region was formed by coalescence of the primary radially symmetric hot spot with a secondary triangular hot zone. We showed that the triangular hot zone coincided with a double-shocked region where the primary planar shockwave was overtaken by a secondary cylindrical shockwave. The secondary cylindrical shockwave originated in void collapse after the primary planar shockwave had passed over the void. A similar phenomenon was observed in continuum hydrodynamics shock simulations using the CTH hydrodynamics package. Furthermore, the formation and growth of extended asymmetric hot regions on nanosecond timescales has important implications for shock initiation thresholds in energetic materials.

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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

OSTI ID:: 1310267

Alternate ID(s):: OSTI ID: 1290318

Report Number(s):: SAND2016-7996J; PRBMDO; 646689

Journal Information:: Physical Review B, Vol. 94, Issue 5; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 34 works

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Hot Spot Chemistry in Several Polymer‐Bound Explosives under Nanosecond Shock Conditions Bassett, Will P.; Johnson, Belinda P.; Dlott, Dana D. Propellants, Explosives, Pyrotechnics, Vol. 45, Issue 2 https://doi.org/10.1002/prep.201900249	journal	November 2019
Toward a Predictive Hierarchical Multiscale Modeling Approach for Energetic Materials Barnes, Brian C.; Brennan, John K.; Byrd, Edward F. C. Computational Approaches for Chemistry Under Extreme Conditions https://doi.org/10.1007/978-3-030-05600-1_10	book	February 2019
Effect of particle packing and density on shock response in ordered arrays of Ni + Al nanoparticles Xiong, Yongnan; Li, Xiaofan; Xiao, Shifang Physical Chemistry Chemical Physics, Vol. 21, Issue 14 https://doi.org/10.1039/c8cp06497k	journal	January 2019
Shock initiation of explosives: High temperature hot spots explained Bassett, Will P.; Johnson, Belinda P.; Neelakantan, Nitin K. Applied Physics Letters, Vol. 111, Issue 6 https://doi.org/10.1063/1.4985593	journal	August 2017
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Hot-spot generation and growth in shocked plastic-bonded explosives studied by optical pyrometry Bassett, Will P.; Johnson, Belinda P.; Salvati, Lawrence Journal of Applied Physics, Vol. 125, Issue 21 https://doi.org/10.1063/1.5098476	journal	June 2019
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Highly scalable discrete-particle simulations with novel coarse-graining: accessing the microscale Mattox, Timothy I.; Larentzos, James P.; Moore, Stan G. Molecular Physics, Vol. 116, Issue 15-16 https://doi.org/10.1080/00268976.2018.1471532	journal	May 2018
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