skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Dimensionality effects in void-induced explosive sensitivity

Abstract

Here, the dimensionality of defects in high explosives controls their heat generation and the expansion of deflagrations from them. We compare the behaviour of spherical voids in three dimensions to that of circular voids in two dimensions. The behaviour is qualitatively similar, but the additional focusing along the extra transverse dimension significantly reduces the piston velocity needed to initiate reactions. However, the reactions do not grow as well in three dimensions, so detonations require larger piston velocities. Pressure exponents are seen to be similar to those for the two-dimensional system.

Authors:
 [1];  [1];  [2]
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  2. Univ. of California, Davis, CA (United States)
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1296680
Report Number(s):
LA-UR-16-20616
Journal ID: ISSN 1364-7830
Grant/Contract Number:
AC52-06NA25396
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Combustion Theory and Modelling
Additional Journal Information:
Journal Name: Combustion Theory and Modelling; Journal ID: ISSN 1364-7830
Publisher:
Taylor & Francis
Country of Publication:
United States
Language:
English
Subject:
42 ENGINEERING; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; shock sensitivity, high explosives, molecular dynamics, REBO; shock sensitivity; spherical voids; high explosives; molecular dynamics; REBO

Citation Formats

Herring, Stuart Davis, Germann, Timothy Clark, and Gronbech-Jensen, Niels. Dimensionality effects in void-induced explosive sensitivity. United States: N. p., 2016. Web. doi:10.1080/13647830.2016.1189598.
Herring, Stuart Davis, Germann, Timothy Clark, & Gronbech-Jensen, Niels. Dimensionality effects in void-induced explosive sensitivity. United States. doi:10.1080/13647830.2016.1189598.
Herring, Stuart Davis, Germann, Timothy Clark, and Gronbech-Jensen, Niels. 2016. "Dimensionality effects in void-induced explosive sensitivity". United States. doi:10.1080/13647830.2016.1189598. https://www.osti.gov/servlets/purl/1296680.
@article{osti_1296680,
title = {Dimensionality effects in void-induced explosive sensitivity},
author = {Herring, Stuart Davis and Germann, Timothy Clark and Gronbech-Jensen, Niels},
abstractNote = {Here, the dimensionality of defects in high explosives controls their heat generation and the expansion of deflagrations from them. We compare the behaviour of spherical voids in three dimensions to that of circular voids in two dimensions. The behaviour is qualitatively similar, but the additional focusing along the extra transverse dimension significantly reduces the piston velocity needed to initiate reactions. However, the reactions do not grow as well in three dimensions, so detonations require larger piston velocities. Pressure exponents are seen to be similar to those for the two-dimensional system.},
doi = {10.1080/13647830.2016.1189598},
journal = {Combustion Theory and Modelling},
number = ,
volume = ,
place = {United States},
year = 2016,
month = 9
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Save / Share:
  • The shock response of two-dimensional model, high explosive crystals with various arrangements of circular voids is explored. We simulate a piston impact using molecular dynamics simulations with a Reactive Empirical Bond Order (REBO) model potential for a sub-micron, sub-ns exothermic reaction in a diatomic molecular solid. In square lattices of voids all of one size, reducing that size or increasing the porosity while holding the other parameter fixed causes the hotspots to consume the material more quickly and detonation to occur sooner and at lower piston velocities. The early time behavior is seen to follow a very simple ignition andmore » growth model. The hotspots are seen to collectively develop a broad pressure wave (a sonic, diffuse deflagration front) that, upon merging with the lead shock, transforms it into a detonation. The reaction yields produced by triangular lattices are not significantly different. With random void arrangements, the mean time to detonation is 15.5% larger than with the square lattice; the standard deviation of detonation delays is just 5.1%.« less
  • Three new zinc(II) coordination polymers, [Zn(HO{sub 3}PCH{sub 2}CH{sub 2}COO)(C{sub 12}H{sub 8}N{sub 2})(H{sub 2}O)] (1), [Zn{sub 3}(O{sub 3}PCH{sub 2}CH{sub 2}COO){sub 2}(C{sub 12}H{sub 8}N{sub 2})](H{sub 2}O){sub 3.40} (2) and [Zn{sub 5}(HO{sub 3}PCH{sub 2}CH{sub 2}COO){sub 2}(O{sub 3}PCH{sub 2}CH{sub 2}COO){sub 2}(C{sub 12}H{sub 8}N{sub 2}){sub 4}](H{sub 2}O){sub 0.32} (3), with different structural dimensionality (0D, 2D and 3D, respectively) have been prepared by hydrothermal synthesis, and their structures were determined by single-crystal X-ray diffraction. Compound 1 crystallizes in the monoclinic system (P2{sub 1}/c) forming discrete dimeric units bonded through H-bonds, while compounds 2 and 3 crystallize in the triclinic (P−1) and the monoclinic (C2/c) systems, respectively.more » Compound 3, showing three different coordination numbers (4, 5 and 6) for the zinc atoms, has also been obtained by thermal treatment of 1 (probed by high-temperature XRPD experiments). The crystalline features of these compounds, related to the coordination environments for the zinc atoms in each structure, provoke the increase of the relative fluorescence for 2 and 3, compared to the free phenanthroline. Thermal analysis (TG and DSC) and XPS studies have been also carried out for all compounds. - Graphical abstract: Three new coordination compounds of zinc with 2-carboxyethylphosphonic acid (H{sub 2}PPA) and phenanthroline have been obtained by hydrothermal synthesis. The crystalline structure depends on the different coordination environments of the zinc atoms (see two comparative Zn{sub 6}-moieties). The influence of the different coordination modes of H{sub 2}PPA with the central atom in all structures have been studied, being found new coordination modes for this ligand. Several compounds show a significant increase in relative fluorescence with respect to the free phenanthroline. - Highlights: • Compounds have been obtained modifying the reaction time and the rate of reagents. • Dimensionality and crystalline structure is a function of the zinc environments. • New coordination modes for 2-carboxyethylphosphonic acid are reported. • 3D-compound presents three different coordination environments for the zinc atoms. • Fluorescence properties are related to the structural dimensionality.« less
  • This work reviews relevant energy science programs and accomplishments at Lawrence Livermore Laboratory. The geosciences program supports research in the earth, atmospheric, and solar-terrestrial sciences. Work focuses on the physical and chemical properties and responses of earth materials and, in particular, on developing computer models that will aid in predicting and understanding these properties and responses. The current effort is divided among studies of aqueous geochemistry, basic rock mechanics, and seismic wave attenuation. The seismic wave attenuation studies are based upon a set of seismic and geologic data gathered through the laboratory's seismic network around the Nevada test site. Themore » rock mechanics studies are aimed at developing a better understanding of how the rate of explosive energy release affects rock fracturing. The aqueous geochemistry studies relate to the release of radioactive wastes stored in underground repositories.« less
  • Most control animals inhaling acetylcholine (a chemical mediator in anaphylactic response) exhibited only labored breathing, whereas most of those pre-exposed to 30 min of >2 ppM O/sub 3/ or >50 ppM NO/sub 2/ died, presumably of bronchospasm. The fatal effect of O/sub 3/ persisted for 2 hr, disappeared at 5 hr, and reappeared at 23 hr after gas exposure. 1 ppM O/sub 3/ for 1 hr prevented the aforementioned effect of higher concentrations. Exposure of guinea pigs to concentrations of SO/sub 2/ exceeding 450 ppM did not increase mortality from acetylcholine.