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Title: Multiscale modeling of shock wave localization in porous energetic material

Abstract

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.

Authors:
 [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
Publication Date:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1421618
Alternate Identifier(s):
OSTI ID: 1418718
Report Number(s):
SAND2017-12295J
Journal ID: ISSN 2469-9950; 658690; TRN: US1801532
Grant/Contract Number:  
NA0003525
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 97; Journal Issue: 1; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; shock waves; viscoplasticity; molecular solids; hydrodynamics; molecular dynamics; multiscale modeling; fluid dynamics

Citation Formats

Wood, M. A., Kittell, D. E., Yarrington, C. D., and Thompson, A. P. Multiscale modeling of shock wave localization in porous energetic material. United States: N. p., 2018. Web. doi:10.1103/physrevb.97.014109.
Wood, M. A., Kittell, D. E., Yarrington, C. D., & Thompson, A. P. Multiscale modeling of shock wave localization in porous energetic material. United States. doi:10.1103/physrevb.97.014109.
Wood, M. A., Kittell, D. E., Yarrington, C. D., and Thompson, A. P. Tue . "Multiscale modeling of shock wave localization in porous energetic material". United States. doi:10.1103/physrevb.97.014109. https://www.osti.gov/servlets/purl/1421618.
@article{osti_1421618,
title = {Multiscale modeling of shock wave localization in porous energetic material},
author = {Wood, M. A. and Kittell, D. E. and Yarrington, C. D. and Thompson, A. P.},
abstractNote = {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.},
doi = {10.1103/physrevb.97.014109},
journal = {Physical Review B},
number = 1,
volume = 97,
place = {United States},
year = {2018},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
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Cited by: 4 works
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Figures / Tables:

Figure 1 Figure 1: Theoretical predictions for the transition from viscoplastic to hydrodynamic pore collapse under shock compression. Estimates for the shock viscosity are from Chou et al.38

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    Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.