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Title: Prediction of shock initiation thresholds and ignition probability of polymer-bonded explosives using mesoscale simulations

Abstract

The design of new materials requires establishment of macroscopic measures of material performance as functions of microstructure. Traditionally, this process has been an empirical endeavor. In this paper, an approach to computationally predict the probabilistic ignition thresholds of polymer-bonded explosives (PBXs) using mesoscale simulations is developed. The simulations explicitly account for microstructure, constituent properties, and interfacial responses and capture processes responsible for the development of hotspots and damage. The specific mechanisms tracked include viscoelasticity, viscoplasticity, fracture, post-fracture contact, frictional heating, and heat conduction. The probabilistic analysis uses sets of statistically similar microstructure samples to directly mimic relevant experiments for quantification of statistical variations of material behavior due to inherent material heterogeneities. The particular thresholds and ignition probabilities predicted are expressed in James type and Walker–Wasley type relations, leading to the establishment of explicit analytical expressions for the ignition probability as function of loading. Specifically, the ignition thresholds corresponding to any given level of ignition probability and ignition probability maps are predicted for PBX 9404 for the loading regime of Up = 200–1200 m/s where Up is the particle speed. The predicted results are in good agreement with available experimental measurements. A parametric study also shows that binder properties can significantlymore » affect the macroscopic ignition behavior of PBXs. Finally, the capability to computationally predict the macroscopic engineering material response relations out of material microstructures and basic constituent and interfacial properties lends itself to the design of new materials as well as the analysis of existing materials.« less

Authors:
ORCiD logo [1];  [2];  [3];  [2]
+ Show Author Affiliations
  1. Georgia Inst. of Technology, Atlanta, GA (United States). The George W. Woodruff School of Mechanical Engineering. School of Materials Science and Engineering; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Georgia Inst. of Technology, Atlanta, GA (United States). The George W. Woodruff School of Mechanical Engineering. School of Materials Science and Engineering
  3. Air Force Research Lab. (AFRL), Eglin AFB, FL (United States). Munitions Directorate
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Georgia Institute of Technology, Atlanta, GA (United States); Air Force Research Lab. (AFRL), Eglin AFB, FL (United States)
Sponsoring Org.:
USDOE; US Air Force Office of Scientific Research (AFOSR); Defense Threat Reduction Agency (DTRA) (United States)
OSTI Identifier:
1474710
Grant/Contract Number:  
AC05-00OR22725; FA9550-15-1-0499; FA9550-14-1-0201; HDTRA1-15-1-0042; HDTRA1-18-1-0004
Resource Type:
Accepted Manuscript
Journal Name:
Journal of the Mechanics and Physics of Solids
Additional Journal Information:
Journal Volume: 114; Journal ID: ISSN 0022-5096
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEFENSE; 36 MATERIALS SCIENCE; 42 ENGINEERING; PBX; energetic material; ignition threshold; binder properties; energy dissipation

Citation Formats

Kim, Seokpum, Wei, Yaochi, Horie, Yasuyuki, and Zhou, Min. Prediction of shock initiation thresholds and ignition probability of polymer-bonded explosives using mesoscale simulations. United States: N. p., 2018. Web. doi:10.1016/j.jmps.2018.02.010.
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Kim, Seokpum, Wei, Yaochi, Horie, Yasuyuki, & Zhou, Min. Prediction of shock initiation thresholds and ignition probability of polymer-bonded explosives using mesoscale simulations. United States. https://doi.org/10.1016/j.jmps.2018.02.010
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Kim, Seokpum, Wei, Yaochi, Horie, Yasuyuki, and Zhou, Min. Wed . "Prediction of shock initiation thresholds and ignition probability of polymer-bonded explosives using mesoscale simulations". United States. https://doi.org/10.1016/j.jmps.2018.02.010. https://www.osti.gov/servlets/purl/1474710.
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@article{osti_1474710,
title = {Prediction of shock initiation thresholds and ignition probability of polymer-bonded explosives using mesoscale simulations},
author = {Kim, Seokpum and Wei, Yaochi and Horie, Yasuyuki and Zhou, Min},
abstractNote = {The design of new materials requires establishment of macroscopic measures of material performance as functions of microstructure. Traditionally, this process has been an empirical endeavor. In this paper, an approach to computationally predict the probabilistic ignition thresholds of polymer-bonded explosives (PBXs) using mesoscale simulations is developed. The simulations explicitly account for microstructure, constituent properties, and interfacial responses and capture processes responsible for the development of hotspots and damage. The specific mechanisms tracked include viscoelasticity, viscoplasticity, fracture, post-fracture contact, frictional heating, and heat conduction. The probabilistic analysis uses sets of statistically similar microstructure samples to directly mimic relevant experiments for quantification of statistical variations of material behavior due to inherent material heterogeneities. The particular thresholds and ignition probabilities predicted are expressed in James type and Walker–Wasley type relations, leading to the establishment of explicit analytical expressions for the ignition probability as function of loading. Specifically, the ignition thresholds corresponding to any given level of ignition probability and ignition probability maps are predicted for PBX 9404 for the loading regime of Up = 200–1200 m/s where Up is the particle speed. The predicted results are in good agreement with available experimental measurements. A parametric study also shows that binder properties can significantly affect the macroscopic ignition behavior of PBXs. Finally, the capability to computationally predict the macroscopic engineering material response relations out of material microstructures and basic constituent and interfacial properties lends itself to the design of new materials as well as the analysis of existing materials.},
doi = {10.1016/j.jmps.2018.02.010},
journal = {Journal of the Mechanics and Physics of Solids},
number = ,
volume = 114,
place = {United States},
year = {Wed Feb 21 00:00:00 EST 2018},
month = {Wed Feb 21 00:00:00 EST 2018}
}
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https://doi.org/10.1016/j.jmps.2018.02.010
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    Works referencing / citing this record:

    Quantification of probabilistic ignition thresholds of polymer-bonded explosives with microstructure defects
    journal, October 2018

    • Wei, Yaochi; Kim, Seokpum; Horie, Yasuyuki
    • Journal of Applied Physics, Vol. 124, Issue 16
    • DOI: 10.1063/1.5031845

    Ignition thresholds of aluminized HMX-based polymer-bonded explosives
    journal, April 2019

    • Miller, Christopher; Kim, Seokpum; Horie, Yasuyuki
    • AIP Advances, Vol. 9, Issue 4
    • DOI: 10.1063/1.5052632

    Meso-resolved simulations of shock-to-detonation transition in nitromethane with air-filled cavities
    journal, June 2019

    • Mi, X. C.; Michael, L.; Ioannou, E.
    • Journal of Applied Physics, Vol. 125, Issue 24
    • DOI: 10.1063/1.5093990

    Prediction of Probabilistic Detonation Threshold via Millimeter‐Scale Microstructure‐Explicit and Void‐Explicit Simulations
    journal, November 2019

    • Miller, Christopher; Kittell, David; Yarrington, Cole
    • Propellants, Explosives, Pyrotechnics, Vol. 45, Issue 2
    • DOI: 10.1002/prep.201900214

    Meso-resolved simulations of shock-to-detonation transition in nitromethane with air-filled cavities
    text, January 2019

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