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Shock interactions with heterogeneous energetic materials

Journal Article · · Journal of Applied Physics
DOI:https://doi.org/10.1063/1.5022042· OSTI ID:1429729
 [1];  [1];  [2]
  1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
  2. Schlumberger Technology Corporation, Houston, TX (United States)
+ Show Author Affiliations
The complex physical phenomenon of shock wave interaction with material heterogeneities has significant importance and nevertheless remains little understood. In many materials, the observed macroscale response to shock loading is governed by characteristics of the microstructure. Yet the majority of computational studies aimed at predicting phenomena affected by these processes, such as initiation and propagation of detonation waves in explosives, or shock propagation in geological materials, employ continuum material and reactive burn model treatment. In an effort to highlight the grain-scale processes that underlie the observable effects in an energetic system, a grain-scale model for hexanitrostilbene (HNS) has been developed. Measured microstructures were used to produce synthetic computational representations of the pore structure, and a density functional theory molecular dynamics (DFT-MD) derived equation of state (EOS) was used for the fully dense HNS matrix. The explicit inclusion of microstructure along with a fully-dense EOS resulted in close agreement with historical shock compression experiments. More recent experiments on dynamic reaction threshold were also reproduced by inclusion of a global kinetics model. The complete model was shown to reproduce accurately the expected response of this heterogeneous material to shock loading. Mesoscale simulations were shown to provide clear insight into the nature of threshold behavior, and are a way to understand complex physical phenomena.
Research Organization:
Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
Sponsoring Organization:
USDOE; USDOE National Nuclear Security Administration (NNSA)
Grant/Contract Number:
AC04-94AL85000
OSTI ID:
1429729
Alternate ID(s):
OSTI ID: 1425249
Report Number(s):
SAND--2017-13807J; 659681
Journal Information:
Journal of Applied Physics, Journal Name: Journal of Applied Physics Journal Issue: 10 Vol. 123; ISSN 0021-8979
Publisher:
American Institute of Physics (AIP)Copyright Statement
Country of Publication:
United States
Language:
English

References (33)

Mesoscale Modeling of Shocks in Heterogeneous Reactive Materials book January 2007
The curious events leading to the theory of shock waves journal June 2007
On the effect of grain size on shock sensitivity of heterogeneous high explosives journal April 1997
Grain-size effects on the shock sensitivity of hexanitrostilbene (HNS) explosive journal June 1984
CTH: A three-dimensional shock wave physics code journal January 1990
Modeling heterogeneous energetic materials at the mesoscale journal February 2002
Study of cold powder compaction by using the discrete element method journal March 2011
Application of Taguchi methods to DEM calibration of bonded agglomerates journal July 2011
Critical Conditions for Impact- and Shock-Induced Hot Spots in Solid Explosives † journal January 1996
Computational modeling of heterogeneous reactive materials at the mesoscale conference January 2000
An Investigation into the Initiation of Hexanitrostilbene by Laser-Driven Flyer Plates conference January 2002
Shock Initiation of Solid Explosives journal January 1961
Initiation of Detonation by the Interaction of Shocks with Density Discontinuities journal January 1965
Mesoscale Simulations of Shock Initiation in Energetic Materials Characterized by Three-Dimensional Nanotomography
  • Brundage, A. L.; Wixom, R. R.; Tappan, A. S.
  • SHOCK COMPRESSION OF CONDENSED MATTER 2009: Proceedings of the American Physical Society Topical Group on Shock Compression of Condensed Matter, AIP Conference Proceedings https://doi.org/10.1063/1.3295132
conference January 2009
Parametric studies of dynamic powder consolidation using a particle‐level numerical model journal August 1990
Modeling compressive reaction and estimating model uncertainty in shock loaded porous samples of hexanitrostilbene (HNS)
  • Brundage, Aaron L.; Gump, Jared C.
  • SHOCK COMPRESSION OF CONDENSED MATTER - 2011: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, AIP Conference Proceedings https://doi.org/10.1063/1.3686333
conference January 2012
Numerical simulation of the shock compaction of copper powder conference January 1994
Ignition criterion for heterogeneous energetic materials based on hotspot size-temperature threshold journal February 2013
Prediction of probabilistic ignition behavior of polymer-bonded explosives from microstructural stochasticity journal May 2013
Computational prediction of probabilistic ignition threshold of pressed granular octahydro-1,3,5,7-tetranitro-1,2,3,5-tetrazocine (HMX) under shock loading journal September 2016
Phenomenological model of shock initiation in heterogeneous explosives journal January 1980
Effect of specific surface area on the sensitivity of hexanitrostilbene to flyer plate impact journal November 1991
A physically-based Mie–Grüneisen equation of state to determine hot spot temperature distributions journal June 2016
Designing meaningful density functional theory calculations in materials science—a primer journal November 2004
A Mie-Grüneisen EOS with non-constant specific heat journal May 2014
Ab initiomolecular dynamics for liquid metals journal January 1993
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium journal May 1994
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Functional designed to include surface effects in self-consistent density functional theory journal August 2005
First-principles and classical molecular dynamics simulation of shocked polymers journal February 2010
Shock Compression of Quartz to 1.6 TPa: Redefining a Pressure Standard journal November 2009
Structure de l'hexanitro-2,2',4,4',6,6' stilbène, HNS, et comparaison avec le trinitro-2,4,6 toluène, TNT journal July 1988
Initiation and Growth of Explosion in Liquids and Solids journal April 1952

Cited By (7)

Prediction of Probabilistic Detonation Threshold via Millimeter‐Scale Microstructure‐Explicit and Void‐Explicit Simulations journal November 2019
Integrated Lagrangian and Eulerian 3D microstructure-explicit simulations for predicting macroscopic probabilistic SDT thresholds of energetic materials journal June 2019
Letter: Modeling reactive shock waves in heterogeneous solids at the continuum level with stochastic differential equations journal May 2018
Quantification of probabilistic ignition thresholds of polymer-bonded explosives with microstructure defects journal October 2018
Insights into local shockwave behavior and thermodynamics in granular materials from tomography-initialized mesoscale simulations journal January 2019
Weak-shock wave propagation in polymer-based particulate composites journal April 2019
Observations of shock-induced chemistry with subnanosecond resolution journal May 2019

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36 MATERIALS SCIENCE