Structural Transformation and Chemical Stability of a Shock-Compressed Insensitive High Explosive Single Crystal: Time-Resolved Raman Spectroscopy
Abstract
Despite the considerable interest in insensitive high explosives (IHE) as a safer alternative to conventional high explosives, a good understanding of the low sensitivity of IHEs to shock initiation is lacking. In particular, real-time measurements to directly probe the molecular-level response of shock compressed IHE single crystals constitute an important need. To address this need, plate impact experiments were conducted to determine time-resolved changes in the Raman spectra of 1,1-diamino-2,2-dinitroethene (FOX-7) single crystals – a representative IHE crystal – shock compressed up to 20 GPa longitudinal stress. The Raman measurements examined vibrational frequencies from 800 cm-1 to 1500 cm-1 with 15 nanosecond time resolution and were conducted at several peak stresses. At 4 – 6 GPa, two new Raman peaks appeared, in addition to the original peaks, consistent with onset of the α' – ε structural transformation reported previously in static compression work. The measured spectra indicated completion of the transformation at 10 GPa. Raman data to 20 GPa showed neither additional transformations nor any indication of chemical decomposition. This finding, though consistent with recent continuum measurements, is in marked contrast to the chemical decomposition observed at lower stresses in shock compressed conventional high explosive single crystals. Our Raman resultsmore »
- Authors:
-
- Washington State University, Pullman, WA (United States)
- Washington State University, Pullman, WA (United States); Naval Surface Warfare Center IHEODTD, Indian Head, MD (United States)
- Publication Date:
- Research Org.:
- Washington State University, Pullman, WA (United States). Institute for Shock Physics
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA), Office of Defense Programs (DP); US Department of the Navy, Office of Naval Research (ONR)
- OSTI Identifier:
- 1673747
- Grant/Contract Number:
- NA0002007; N00014-16-1-2088
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory
- Additional Journal Information:
- Journal Volume: 124; Journal Issue: 32; Journal ID: ISSN 1089-5639
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Stress; Crystal structure; Raman spectroscopy; Compression; Phase transitions
Citation Formats
Winey, J. M., Zimmerman, Kurt, Dreger, Zbigniew A., and Gupta, Yogendra M. Structural Transformation and Chemical Stability of a Shock-Compressed Insensitive High Explosive Single Crystal: Time-Resolved Raman Spectroscopy. United States: N. p., 2020.
Web. doi:10.1021/acs.jpca.0c04862.
Winey, J. M., Zimmerman, Kurt, Dreger, Zbigniew A., & Gupta, Yogendra M. Structural Transformation and Chemical Stability of a Shock-Compressed Insensitive High Explosive Single Crystal: Time-Resolved Raman Spectroscopy. United States. https://doi.org/10.1021/acs.jpca.0c04862
Winey, J. M., Zimmerman, Kurt, Dreger, Zbigniew A., and Gupta, Yogendra M. Fri .
"Structural Transformation and Chemical Stability of a Shock-Compressed Insensitive High Explosive Single Crystal: Time-Resolved Raman Spectroscopy". United States. https://doi.org/10.1021/acs.jpca.0c04862. https://www.osti.gov/servlets/purl/1673747.
@article{osti_1673747,
title = {Structural Transformation and Chemical Stability of a Shock-Compressed Insensitive High Explosive Single Crystal: Time-Resolved Raman Spectroscopy},
author = {Winey, J. M. and Zimmerman, Kurt and Dreger, Zbigniew A. and Gupta, Yogendra M.},
abstractNote = {Despite the considerable interest in insensitive high explosives (IHE) as a safer alternative to conventional high explosives, a good understanding of the low sensitivity of IHEs to shock initiation is lacking. In particular, real-time measurements to directly probe the molecular-level response of shock compressed IHE single crystals constitute an important need. To address this need, plate impact experiments were conducted to determine time-resolved changes in the Raman spectra of 1,1-diamino-2,2-dinitroethene (FOX-7) single crystals – a representative IHE crystal – shock compressed up to 20 GPa longitudinal stress. The Raman measurements examined vibrational frequencies from 800 cm-1 to 1500 cm-1 with 15 nanosecond time resolution and were conducted at several peak stresses. At 4 – 6 GPa, two new Raman peaks appeared, in addition to the original peaks, consistent with onset of the α' – ε structural transformation reported previously in static compression work. The measured spectra indicated completion of the transformation at 10 GPa. Raman data to 20 GPa showed neither additional transformations nor any indication of chemical decomposition. This finding, though consistent with recent continuum measurements, is in marked contrast to the chemical decomposition observed at lower stresses in shock compressed conventional high explosive single crystals. Our Raman results support the previous suggestion that strengthening of intra- and inter-molecular bonds, due to the α' – ε structural transformation, plays a significant role in the insensitivity of FOX-7 single crystals to shock initiation. In conclusion, the present work, in conjunction with previous static compression studies, provides the first experimental insight into the molecular-level response of a shock compressed IHE single crystal and can serve as a bench mark for theoretical studies.},
doi = {10.1021/acs.jpca.0c04862},
journal = {Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory},
number = 32,
volume = 124,
place = {United States},
year = {Fri Jul 31 00:00:00 EDT 2020},
month = {Fri Jul 31 00:00:00 EDT 2020}
}
Works referenced in this record:
Homogeneous dislocation nucleation in cyclotrimethylene trinitramine under shock loading
journal, March 2010
- Cawkwell, M. J.; Ramos, K. J.; Hooks, D. E.
- Journal of Applied Physics, Vol. 107, Issue 6
Shock Wave-Induced Phase Transition in RDX Single Crystals
journal, September 2007
- Patterson, James E.; Dreger, Zbigniew A.; Gupta, Yogendra M.
- The Journal of Physical Chemistry B, Vol. 111, Issue 37
A high-pressure far- and mid-infrared study of 1,1-diamino-2,2-dinitroethylene
journal, May 2012
- Pravica, Michael; Liu, Yu; Robinson, John
- Journal of Applied Physics, Vol. 111, Issue 10
Molecular mechanics modeling of shear and the crystal orientation dependence of the elastic precursor shock strength in pentaerythritol tetranitrate
journal, September 1994
- Dick, J. J.; Ritchie, J. P.
- Journal of Applied Physics, Vol. 76, Issue 5
Phase Diagram and Decomposition of 1,1-Diamino-2,2-dinitroethene Single Crystals at High Pressures and Temperatures
journal, May 2016
- Dreger, Zbigniew A.; Tao, Yuchuan; Gupta, Yogendra M.
- The Journal of Physical Chemistry C, Vol. 120, Issue 20
Elastic–plastic wave profiles in cyclotetramethylene tetranitramine crystals
journal, July 2004
- Dick, J. J.; Hooks, D. E.; Menikoff, R.
- Journal of Applied Physics, Vol. 96, Issue 1
Effect of crystal orientation on shock initiation sensitivity of pentaerythritol tetranitrate explosive
journal, May 1984
- Dick, J. J.
- Applied Physics Letters, Vol. 44, Issue 9
Polymorphs of 1,1-diamino-2,2-dinitroethene (FOX-7): Isothermal compression versus isobaric heating
journal, October 2013
- Dreger, Z. A.; Tao, Y.; Gupta, Y. M.
- Chemical Physics Letters, Vol. 584
Equation of state and temperature measurements for shocked nitromethane
journal, November 2000
- Winey, J. M.; Duvall, G. E.; Knudson, M. D.
- The Journal of Chemical Physics, Vol. 113, Issue 17, p. 7492-7501
High Pressure–Temperature Phase Diagram of 1,1-Diamino-2,2-dinitroethylene (FOX-7)
journal, September 2015
- Bishop, Matthew M.; Velisavljevic, Nenad; Chellappa, Raja
- The Journal of Physical Chemistry A, Vol. 119, Issue 37
Shock response of pentaerythritol tetranitrate single crystals
journal, October 1991
- Dick, J. J.; Mulford, R. N.; Spencer, W. J.
- Journal of Applied Physics, Vol. 70, Issue 7
Equation of state and structural changes in diaminodinitroethylene under compression
journal, May 2004
- Peiris, Suhithi M.; Wong, Chak P.; Zerilli, Frank J.
- The Journal of Chemical Physics, Vol. 120, Issue 17
High-Pressure Experimental and DFT-D Structural Studies of the Energetic Material FOX-7
journal, February 2015
- Hunter, Steven; Coster, Paul L.; Davidson, Alistair J.
- The Journal of Physical Chemistry C, Vol. 119, Issue 5
1,1-diamino-2,2-dinitroethylene under high pressure-temperature
journal, November 2012
- Bishop, Matthew M.; Chellappa, Raja S.; Pravica, Michael
- The Journal of Chemical Physics, Vol. 137, Issue 17
A constitutive model for metals applicable at high‐strain rate
journal, March 1980
- Steinberg, D. J.; Cochran, S. G.; Guinan, M. W.
- Journal of Applied Physics, Vol. 51, Issue 3
Shock Wave Induced Decomposition Chemistry of Pentaerythritol Tetranitrate Single Crystals: Time-Resolved Emission Spectroscopy
journal, January 2002
- Dreger, Zbigniew A.; Gruzdkov, Yuri A.; Gupta, Yogendra M.
- The Journal of Physical Chemistry B, Vol. 106, Issue 2
High-Pressure Vibrational and Polymorphic Response of 1,1-Diamino-2,2-dinitroethene Single Crystals: Raman Spectroscopy
journal, June 2014
- Dreger, Zbigniew A.; Tao, Yuchuan; Gupta, Yogendra M.
- The Journal of Physical Chemistry A, Vol. 118, Issue 27
Time-Resolved Spectroscopic Measurements of Shock-Wave Induced Decomposition in Cyclotrimethylene Trinitramine (RDX) Crystals: Anisotropic Response
journal, November 2010
- Dang, Nhan C.; Dreger, Zbigniew A.; Gupta, Yogendra M.
- The Journal of Physical Chemistry A, Vol. 114, Issue 43
Shock Hugoniot measurements of single-crystal 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) compressed to 83 GPa
journal, May 2020
- Marshall, M. C.; Fernandez-Pañella, A.; Myers, T. W.
- Journal of Applied Physics, Vol. 127, Issue 18
Erratum: “Elastic-plastic shock wave profiles in oriented single crystals of cyclotrimethylene trinitramine (RDX) at 2.25 GPa” [J. Appl. Phys. 100, 024908 (2006)]
journal, April 2011
- Hooks, Daniel E.; Ramos, Kyle J.; Richard Martinez, A.
- Journal of Applied Physics, Vol. 109, Issue 8
Raman Spectra of Shock Compressed Pentaerythritol Tetranitrate Single Crystals: Anisotropic Response
journal, October 2006
- Hemmi, N.; Dreger, Z. A.; Gruzdkov, Y. A.
- The Journal of Physical Chemistry B, Vol. 110, Issue 42
“Stubborn” triaminotrinitrobenzene: Unusually high chemical stability of a molecular solid to 150 GPa
journal, November 2011
- Davidson, Alistair J.; Dias, Ranga P.; Dattelbaum, Dana M.
- The Journal of Chemical Physics, Vol. 135, Issue 17
Shock Wave Induced Decomposition of RDX: Time-Resolved Spectroscopy
journal, August 2008
- Patterson, James E.; Dreger, Zbigniew A.; Miao, Maosheng
- The Journal of Physical Chemistry A, Vol. 112, Issue 32
Anomalous hardening under shock compression in (021)-oriented cyclotrimethylene trinitramine single crystals
journal, September 2010
- Ramos, K. J.; Hooks, D. E.; Sewell, Thomas D.
- Journal of Applied Physics, Vol. 108, Issue 6
Anomalous shock initiation of detonation in pentaerythritol tetranitrate crystals
journal, January 1997
- Dick, J. J.
- Journal of Applied Physics, Vol. 81, Issue 2
Determining the refractive index of shocked [100] lithium fluoride to the limit of transmissibility
journal, July 2014
- Rigg, P. A.; Knudson, M. D.; Scharff, R. J.
- Journal of Applied Physics, Vol. 116, Issue 3
Shock compression response of an insensitive high explosive single crystal: 1,1-diamino-2,2-dinitroethene (FOX-7)
journal, April 2020
- Winey, J. M.; Toyoda, Y.; Gupta, Y. M.
- Journal of Applied Physics, Vol. 127, Issue 15
Elastic-plastic shock wave profiles in oriented single crystals of cyclotrimethylene trinitramine (RDX) at 2.25GPa
journal, July 2006
- Hooks, Daniel E.; Ramos, Kyle J.; Martinez, A. Richard
- Journal of Applied Physics, Vol. 100, Issue 2
High-Pressure Crystal Structures of an Insensitive Energetic Crystal: 1,1-Diamino-2,2-dinitroethene
journal, January 2016
- Dreger, Zbigniew A.; Stash, Adam I.; Yu, Zhi-Gang
- The Journal of Physical Chemistry C, Vol. 120, Issue 2
High-Pressure Structural Response of an Insensitive Energetic Crystal: 1,1-Diamino-2,2-dinitroethene (FOX-7)
journal, November 2016
- Dreger, Zbigniew A.; Stash, Adam I.; Yu, Zhi-Gang
- The Journal of Physical Chemistry C, Vol. 120, Issue 48