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

Kim, Seokpum; Wei, Yaochi; Horie, Yasuyuki; Zhou, Min

doi:10.1016/j.jmps.2018.02.010

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

Journal Article · Wed Feb 21 00:00:00 EST 2018 · Journal of the Mechanics and Physics of Solids

DOI:https://doi.org/10.1016/j.jmps.2018.02.010· OSTI ID:1474710

^[1]; Wei, Yaochi ^[2]; Horie, Yasuyuki ^[3]; Zhou, Min ^[2]

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)
Georgia Inst. of Technology, Atlanta, GA (United States). The George W. Woodruff School of Mechanical Engineering. School of Materials Science and Engineering
Air Force Research Lab. (AFRL), Eglin AFB, FL (United States). Munitions Directorate

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 U_p = 200–1200 m/s where U_p 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.

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Research Organization:: 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 Organization:: USDOE; US Air Force Office of Scientific Research (AFOSR); Defense Threat Reduction Agency (DTRA) (United States)

Grant/Contract Number:: AC05-00OR22725; FA9550-15-1-0499; FA9550-14-1-0201; HDTRA1-15-1-0042; HDTRA1-18-1-0004

OSTI ID:: 1474710

Journal Information:: Journal of the Mechanics and Physics of Solids, Vol. 114; ISSN 0022-5096

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 46 works

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Quantification of probabilistic ignition thresholds of polymer-bonded explosives with microstructure defects Wei, Yaochi; Kim, Seokpum; Horie, Yasuyuki Journal of Applied Physics, Vol. 124, Issue 16 https://doi.org/10.1063/1.5031845	journal	October 2018
Ignition thresholds of aluminized HMX-based polymer-bonded explosives Miller, Christopher; Kim, Seokpum; Horie, Yasuyuki AIP Advances, Vol. 9, Issue 4 https://doi.org/10.1063/1.5052632	journal	April 2019
Meso-resolved simulations of shock-to-detonation transition in nitromethane with air-filled cavities Mi, X. C.; Michael, L.; Ioannou, E. Journal of Applied Physics, Vol. 125, Issue 24 https://doi.org/10.1063/1.5093990	journal	June 2019
Integrated Lagrangian and Eulerian 3D microstructure-explicit simulations for predicting macroscopic probabilistic SDT thresholds of energetic materials Wei, Yaochi; Ranjan, Reetesh; Roy, Ushasi Computational Mechanics, Vol. 64, Issue 2 https://doi.org/10.1007/s00466-019-01729-9	journal	June 2019
Prediction of Probabilistic Detonation Threshold via Millimeter‐Scale Microstructure‐Explicit and Void‐Explicit Simulations Miller, Christopher; Kittell, David; Yarrington, Cole Propellants, Explosives, Pyrotechnics, Vol. 45, Issue 2 https://doi.org/10.1002/prep.201900214	journal	November 2019
Meso-resolved simulations of shock-to-detonation transition in nitromethane with air-filled cavities Mi, XiaoCheng; Michael, Louisa; Ioannou, Eleftherios arXiv https://doi.org/10.48550/arxiv.1905.05727	text	January 2019

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