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Multiscale modeling of shock wave localization in porous energetic material

Journal Article · · Physical Review. B
 [1];  [2];  [2];  [1]
  1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Center for Computing Research
  2. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Engineering Sciences Center
+ Show Author Affiliations
Shock wave interactions with defects, such as pores, are known to play a key role in the chemical initiation of energetic materials. The shock response of hexanitrostilbene is studied through a combination of large-scale reactive molecular dynamics and mesoscale hydrodynamic simulations. In order to extend our simulation capability at the mesoscale to include weak shock conditions (< 6 GPa), atomistic simulations of pore collapse are used here to define a strain-rate-dependent strength model. Comparing these simulation methods allows us to impose physically reasonable constraints on the mesoscale model parameters. In doing so, we have been able to study shock waves interacting with pores as a function of this viscoplastic material response. Finally, we find that the pore collapse behavior of weak shocks is characteristically different than that of strong shocks.
Research Organization:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Organization:
USDOE National Nuclear Security Administration (NNSA)
Grant/Contract Number:
NA0003525
OSTI ID:
1421618
Alternate ID(s):
OSTI ID: 1418718
Report Number(s):
SAND2017--12295J; 658690
Journal Information:
Physical Review. B, Journal Name: Physical Review. B Journal Issue: 1 Vol. 97; ISSN 2469-9950
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

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Cited By (7)

Prediction of Probabilistic Detonation Threshold via Millimeter‐Scale Microstructure‐Explicit and Void‐Explicit Simulations journal November 2019
Molecular dynamics simulations of shock loading of nearly fully dense granular Ni–Al composites journal January 2019
Decomposition mechanism scenarios of CL-20 co-crystals revealed by ReaxFF molecular dynamics: similarities and differences journal January 2020
Effects of different types of defects on ignition mechanisms in shocked β-cyclotetramethylene tetranitramine crystals: A molecular dynamics study based on ReaxFF-lg force field journal May 2019
Highly scalable discrete-particle simulations with novel coarse-graining: accessing the microscale journal May 2018
Highly scalable discrete-particle simulations with novel coarse-graining: accessing the microscale text January 2018
Highly scalable discrete-particle simulations with novel coarse-graining: accessing the microscale text January 2018

Figures / Tables (8)

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Table I(p. 4)table Table I
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Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
fluid dynamics
hydrodynamics
molecular dynamics
molecular solids
multiscale modeling
shock waves
viscoplasticity