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Title: Experimental and Theoretical Investigation of Shock-Induced Reactions in Energetic Materials

Abstract

In this work, shock-induced reactions in high explosives and their chemical mechanisms were investigated using state-of-the-art experimental and theoretical techniques. Experimentally, ultrafast shock interrogation (USI, an ultrafast interferometry technique) and ultrafast absorption spectroscopy were used to interrogate shock compression and initiation of reaction on the picosecond timescale. The experiments yielded important new data that appear to indicate reaction of high explosives on the timescale of tens of picoseconds in response to shock compression, potentially setting new upper limits on the timescale of reaction. Theoretically, chemical mechanisms of shock-induced reactions were investigated using density functional theory. The calculations generated important insights regarding the ability of several hypothesized mechanisms to account for shock-induced reactions in explosive materials. The results of this work constitute significant advances in our understanding of the fundamental chemical reaction mechanisms that control explosive sensitivity and initiation of detonation.

Authors:
 [1];  [2];  [2];  [2];  [2];  [2]
  1. Sandia National Lab. (SNL-CA), Livermore, CA (United States)
  2. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Publication Date:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1395647
Report Number(s):
SAND-2017-10266
657209
DOE Contract Number:
AC04-94AL85000; NA0003525
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Kay, Jeffrey J., Park, Samuel, Kohl, Ian Thomas, Knepper, Robert, Farrow, Darcie, and Tappan, Alexander S. Experimental and Theoretical Investigation of Shock-Induced Reactions in Energetic Materials. United States: N. p., 2017. Web. doi:10.2172/1395647.
Kay, Jeffrey J., Park, Samuel, Kohl, Ian Thomas, Knepper, Robert, Farrow, Darcie, & Tappan, Alexander S. Experimental and Theoretical Investigation of Shock-Induced Reactions in Energetic Materials. United States. doi:10.2172/1395647.
Kay, Jeffrey J., Park, Samuel, Kohl, Ian Thomas, Knepper, Robert, Farrow, Darcie, and Tappan, Alexander S. 2017. "Experimental and Theoretical Investigation of Shock-Induced Reactions in Energetic Materials". United States. doi:10.2172/1395647. https://www.osti.gov/servlets/purl/1395647.
@article{osti_1395647,
title = {Experimental and Theoretical Investigation of Shock-Induced Reactions in Energetic Materials},
author = {Kay, Jeffrey J. and Park, Samuel and Kohl, Ian Thomas and Knepper, Robert and Farrow, Darcie and Tappan, Alexander S.},
abstractNote = {In this work, shock-induced reactions in high explosives and their chemical mechanisms were investigated using state-of-the-art experimental and theoretical techniques. Experimentally, ultrafast shock interrogation (USI, an ultrafast interferometry technique) and ultrafast absorption spectroscopy were used to interrogate shock compression and initiation of reaction on the picosecond timescale. The experiments yielded important new data that appear to indicate reaction of high explosives on the timescale of tens of picoseconds in response to shock compression, potentially setting new upper limits on the timescale of reaction. Theoretically, chemical mechanisms of shock-induced reactions were investigated using density functional theory. The calculations generated important insights regarding the ability of several hypothesized mechanisms to account for shock-induced reactions in explosive materials. The results of this work constitute significant advances in our understanding of the fundamental chemical reaction mechanisms that control explosive sensitivity and initiation of detonation.},
doi = {10.2172/1395647},
journal = {},
number = ,
volume = ,
place = {United States},
year = 2017,
month = 9
}

Technical Report:

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