Pressure-Thresholded Response in Cylindrically Shocked Cyclotrimethylene Trinitramine (RDX)

Dresselhaus-Cooper, Leora E.; Martynowych, Dmitro J.; Zhang, Fan; Tsay, Charlene; Ilavsky, Jan; Wang, SuYin Grass; Chen, Yu-Sheng; Nelson, Keith A.

doi:10.1021/acs.jpca.9b07637

Title: Pressure-Thresholded Response in Cylindrically Shocked Cyclotrimethylene Trinitramine (RDX)

Journal Article · 31 January 2020 · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory

DOI: https://doi.org/10.1021/acs.jpca.9b07637 · OSTI ID:1643753

^[1];

^[2]; Tsay, Charlene ^[3]; Ilavsky, Jan ^[4];

^[5]; Chen, Yu-Sheng ^[5]; Nelson, Keith A. ^[1]

Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)
Univ. of California, Riverside, CA (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)
Univ. of Chicago, IL (United States)

We demonstrate a strongly thresholded response in cyclotrimethylene trinitramine (RDX) when it is cylindrically shocked using a novel waveguide geometry. Using ultrafast single-shot multi-frame imaging, we demonstrate that <100 μm diameter single crystals of RDX embedded in a polymer host deform along preferential planes for >100 ns after the shock first arrives in the crystal. We use in situ imaging and time-resolved photoemission to demonstrate that short-lived chemistry occurs with complex deformation pathways. Using scanning electron microscopy and ultra-small-angle X-ray scattering, we demonstrate that the shock-induced dynamics leave behind porous crystals, with pore shapes and sizes that change significantly with shock pressure. A threshold pressure of ~12 GPa at the center of convergence separated the single-mode planar crystal deformations from the chemistry-coupled multi-plane dynamics at higher pressures. Our observations indicate preferential directions for deformation in our cylindrically shocked system, despite the applied stress along many different crystallographic planes.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States); Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: National Science Foundation (NSF); US Office of Naval Research (ONR); USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Office of Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-06CH11357; AC52-07NA27344

OSTI ID:: 1643753

Report Number(s):: LLNL-JRNL--756001; 943246

Journal Information:: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, Journal Name: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory Journal Issue: 17 Vol. 124; ISSN 1089-5639

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

References (63)

Relationship Between RDX Properties and Sensitivity Doherty, Ruth M.; Watt, Duncan S. Propellants, Explosives, Pyrotechnics, Vol. 33, Issue 1 https://doi.org/10.1002/prep.200800201	journal	February 2008
Shock Wave Compression of Condensed Matter Forbes, Jerry W. https://doi.org/10.1007/978-3-642-32535-9	book	January 2012
Dislocations in energetic materials: Part 3 Etching and microhardness studies of pentaerythritol tetranitrate and cyclotrimethylenetrinitramine Halfpenny, P. J.; Roberts, K. J.; Sherwood, J. N. Journal of Materials Science, Vol. 19, Issue 5 https://doi.org/10.1007/bf00563061	journal	May 1984
Stability of converging cylindrical shock waves Watanabe, M.; Takayama, K. Shock Waves, Vol. 1, Issue 2 https://doi.org/10.1007/bf01414910	journal	June 1991
X-ray reflection topographic study of growth defect and microindentation strain fields in an RDX explosive crystal Elban, W. L.; Armstrong, R. W.; Yoo, K. C. Journal of Materials Science, Vol. 24, Issue 4 https://doi.org/10.1007/pl00020207	journal	April 1989
Dynamic fracture and local failure mechanisms in heterogeneous RDX-Estane energetic aggregates LaBarbera, D. A.; Zikry, M. A. Journal of Materials Science, Vol. 50, Issue 16 https://doi.org/10.1007/s10853-015-9102-1	journal	May 2015
Dislocation structure behind a shock front in fcc perfect crystals: Atomistic simulation results Germann, Timothy C.; Holian, Brad Lee; Lomdahl, Peter S. Metallurgical and Materials Transactions A, Vol. 35, Issue 9 https://doi.org/10.1007/s11661-004-0206-5	journal	September 2004
Nanoscale view of shock-wave splitting in diamond Zybin, S. V.; Elert, M. L.; White, C. T. Metallurgical and Materials Transactions A, Vol. 35, Issue 9 https://doi.org/10.1007/s11661-004-0210-9	journal	September 2004
Dislocations in energetic materials Halfpenny, P. J.; Roberts, K. J.; Sherwood, J. N. Journal of Crystal Growth, Vol. 69, Issue 1 https://doi.org/10.1016/0022-0248(84)90010-1	journal	November 1984
Effect of heat treatment on the microstructural evolution of a nickel-based superalloy additive-manufactured by laser powder bed fusion Zhang, Fan; Levine, Lyle E.; Allen, Andrew J. Acta Materialia, Vol. 152 https://doi.org/10.1016/j.actamat.2018.03.017	journal	June 2018
The spallation of single crystal SiC: The effects of shock pulse duration Li, W. H.; Yao, X. H. Computational Materials Science, Vol. 124 https://doi.org/10.1016/j.commatsci.2016.07.028	journal	November 2016
A fully anisotropic single crystal model for high strain rate loading conditions with an application to α-RDX De, Suvranu; Zamiri, Amir R. Journal of the Mechanics and Physics of Solids, Vol. 64 https://doi.org/10.1016/j.jmps.2013.10.012	journal	March 2014
A dislocation density-based continuum model of the anisotropic shock response of single crystal α-cyclotrimethylene trinitramine Luscher, D. J.; Addessio, F. L.; Cawkwell, M. J. Journal of the Mechanics and Physics of Solids, Vol. 98 https://doi.org/10.1016/j.jmps.2016.09.005	journal	January 2017
Growth shape of isotactic polystyrene crystals in thin films Taguchi, Ken; Miyaji, Hideki; Izumi, Kunihide Polymer, Vol. 42, Issue 17 https://doi.org/10.1016/s0032-3861(01)00215-4	journal	August 2001
Investigation of hot spot characteristics in energetic crystals Armstrong, R. W.; Ammon, H. L.; Elban, W. L. Thermochimica Acta, Vol. 384, Issue 1-2 https://doi.org/10.1016/s0040-6031(01)00786-9	journal	February 2002
Hot spots and the initiation of explosion Bowden, F. P.; Yoffe, A. Symposium on Combustion and Flame, and Explosion Phenomena, Vol. 3, Issue 1 https://doi.org/10.1016/s1062-2896(49)80074-2	journal	January 1948
A new approach to problems of shock dynamics Part I Two-dimensional problems Whitham, G. B. Journal of Fluid Mechanics, Vol. 2, Issue 2 https://doi.org/10.1017/s002211205700004x	journal	March 1957
Hot spot ignition mechanisms for explosives Field, John E. Accounts of Chemical Research, Vol. 25, Issue 11 https://doi.org/10.1021/ar00023a002	journal	November 1992
Chemical reaction initiation and hot-spot formation in shocked energetic molecular materials Tokmakoff, A.; Fayer, M. D.; Dlott, Dana D. The Journal of Physical Chemistry, Vol. 97, Issue 9 https://doi.org/10.1021/j100111a031	journal	March 1993
Thermal Decomposition of Energetic Materials. 5. Reaction Processes of 1,3,5-Trinitrohexahydro- s -triazine below Its Melting Point Maharrey, Sean; Behrens, Richard The Journal of Physical Chemistry A, Vol. 109, Issue 49 https://doi.org/10.1021/jp054188q	journal	December 2005
Anisotropic Shock Sensitivity of Cyclotrimethylene Trinitramine (RDX) from Compress-and-Shear Reactive Dynamics An, Qi; Liu, Yi; Zybin, Sergey V. The Journal of Physical Chemistry C, Vol. 116, Issue 18 https://doi.org/10.1021/jp300711m	journal	April 2012
High Pressure–High Temperature Decomposition of γ-Cyclotrimethylene Trinitramine Dreger, Zbigniew A.; McCluskey, Matthew D.; Gupta, Yogendra M. The Journal of Physical Chemistry A, Vol. 116, Issue 39 https://doi.org/10.1021/jp307373v	journal	September 2012
Highly Shocked Polymer Bonded Explosives at a Nonplanar Interface: Hot-Spot Formation Leading to Detonation An, Qi; Goddard, William A.; Zybin, Sergey V. The Journal of Physical Chemistry C, Vol. 117, Issue 50 https://doi.org/10.1021/jp404753v	journal	December 2013
Inhibition of Hotspot Formation in Polymer Bonded Explosives Using an Interface Matching Low Density Polymer Coating at the Polymer–Explosive Interface An, Qi; Goddard, William A.; Zybin, Sergey V. The Journal of Physical Chemistry C, Vol. 118, Issue 34 https://doi.org/10.1021/jp506501r	journal	August 2014
Laser-Induced Shock Wave Can Spark Triboluminescence of Amorphous Sugars Tsuboi, Yasuyuki; Seto, Toshiaki; Kitamura, Noboru The Journal of Physical Chemistry A, Vol. 112, Issue 29 https://doi.org/10.1021/jp8002504	journal	June 2008
Shock Wave Induced Decomposition of RDX: Time-Resolved Spectroscopy Patterson, James E.; Dreger, Zbigniew A.; Miao, Maosheng The Journal of Physical Chemistry A, Vol. 112, Issue 32 https://doi.org/10.1021/jp800827b	journal	August 2008
Shock Wave Induced Decomposition of RDX: Quantum Chemistry Calculations Miao, Maosheng; Dreger, Zbigniew A.; Patterson, James E. The Journal of Physical Chemistry A, Vol. 112, Issue 32 https://doi.org/10.1021/jp8008282	journal	July 2008
Critical Conditions for Impact- and Shock-Induced Hot Spots in Solid Explosives ^† Tarver, Craig M.; Chidester, Steven K.; Nichols, Albert L. The Journal of Physical Chemistry, Vol. 100, Issue 14 https://doi.org/10.1021/jp953123s	journal	January 1996
On the nucleation and growth of voids at high strain-rates Belak, J. Journal of Computer-Aided Materials Design, Vol. 5, Issue 2/3, p. 193-206 https://doi.org/10.1023/a:1008685029849	journal	January 1998
Dislocation multi-junctions and strain hardening Bulatov, Vasily V.; Hsiung, Luke L.; Tang, Meijie Nature, Vol. 440, Issue 7088 https://doi.org/10.1038/nature04658	journal	April 2006
Ultrasonic hammer produces hot spots in solids You, Sizhu; Chen, Ming-Wei; Dlott, Dana D. Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms7581	journal	April 2015
Interferometric analysis of laser-driven cylindrically focusing shock waves in a thin liquid layer Veysset, David; Мaznev, Alexei A.; Pezeril, Thomas Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/s41598-016-0032-1	journal	December 2016
Single-Shot Multi-Frame Imaging of Cylindrical Shock Waves in a Multi-Layered Assembly Dresselhaus-Cooper, Leora; Gorfain, Joshua E.; Key, Chris T. Scientific Reports, Vol. 9, Issue 1 https://doi.org/10.1038/s41598-019-40037-3	journal	March 2019
Nanofractography of shocked RDX explosive crystals with atomic force microscopy Sharma, J.; Armstrong, R. W.; Elban, W. L. Applied Physics Letters, Vol. 78, Issue 4 https://doi.org/10.1063/1.1342046	journal	January 2001
Lattice softening and failure in severely deformed molecular crystals Coffey, C. S.; Sharma, J. Journal of Applied Physics, Vol. 89, Issue 9 https://doi.org/10.1063/1.1358319	journal	May 2001
Thermal decomposition of RDX from reactive molecular dynamics Strachan, Alejandro; Kober, Edward M.; van Duin, Adri C. T. The Journal of Chemical Physics, Vol. 122, Issue 5 https://doi.org/10.1063/1.1831277	journal	February 2005
Vibrational energy transfer in shocked molecular crystals Hooper, Joe The Journal of Chemical Physics, Vol. 132, Issue 1 https://doi.org/10.1063/1.3273212	journal	January 2010
Homogeneous dislocation nucleation in cyclotrimethylene trinitramine under shock loading Cawkwell, M. J.; Ramos, K. J.; Hooks, D. E. Journal of Applied Physics, Vol. 107, Issue 6 https://doi.org/10.1063/1.3305630	journal	March 2010
Fractoemission from cyclotrimethylenetrinitramine (RDX) explosive single crystals Dickinson, J. T.; Miles, M. H.; Elban, W. L. Journal of Applied Physics, Vol. 55, Issue 11 https://doi.org/10.1063/1.332986	journal	June 1984
Neutron scattering study of internal void structure in RDX Stoltz, Chad A.; Mason, Brian P.; Hooper, Joe Journal of Applied Physics, Vol. 107, Issue 10 https://doi.org/10.1063/1.3369564	journal	May 2010
Fracto‐emission accompanying adhesive failure between rocket propellent constituents Dickinson, J. T.; Jensen, L. C.; Miles, M. H. Journal of Applied Physics, Vol. 62, Issue 7 https://doi.org/10.1063/1.339382	journal	October 1987
Crystal size dependence for impact initiation of cyclotrimethylenetrinitramine explosive Armstrong, R. W.; Coffey, C. S.; DeVost, V. F. Journal of Applied Physics, Vol. 68, Issue 3 https://doi.org/10.1063/1.346664	journal	August 1990
Shocked molecular solids: Vibrational up pumping, defect hot spot formation, and the onset of chemistry Dlott, Dana D.; Fayer, Michael D. The Journal of Chemical Physics, Vol. 92, Issue 6 https://doi.org/10.1063/1.457838	journal	March 1990
Machine learning to analyze images of shocked materials for precise and accurate measurements Dresselhaus-Cooper, Leora; Howard, Marylesa; Hock, Margaret C. Journal of Applied Physics, Vol. 122, Issue 10 https://doi.org/10.1063/1.4998959	journal	September 2017
Dynamic fracture and hot-spot modeling in energetic composites Grilli, Nicolò; Duarte, Camilo A.; Koslowski, Marisol Journal of Applied Physics, Vol. 123, Issue 6 https://doi.org/10.1063/1.5009297	journal	February 2018
Modeling High Rate Impact Sensitivity of Perfect RDX and HMX Crystals by ReaxFF Reactive Dynamics Zhang, Luzheng; Zybin, Sergey V.; Van Duin, Adri C. T. Journal of Energetic Materials, Vol. 28, Issue sup1 https://doi.org/10.1080/07370652.2010.504682	journal	October 2010
Direct observation of plasticity and quantitative hardness measurements in single crystal cyclotrimethylene trinitramine by nanoindentation Ramos, Kyle J.; Hooks, Daniel E.; Bahr, David F. Philosophical Magazine, Vol. 89, Issue 27 https://doi.org/10.1080/14786430903120335	journal	September 2009
Generalized stacking fault energy surfaces in the molecular crystal αRDX Munday, Lynn B.; Solares, Santiago D.; Chung, Peter W. Philosophical Magazine, Vol. 92, Issue 24 https://doi.org/10.1080/14786435.2012.685191	journal	August 2012
CXLV. The quasi-cylindrical shock tube Chester, W. The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science, Vol. 45, Issue 371 https://doi.org/10.1080/14786441208561138	journal	December 1954
Matter under extreme conditions experiments at the Linac Coherent Light Source Glenzer, S. H.; Fletcher, L. B.; Galtier, E. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 49, Issue 9 https://doi.org/10.1088/0953-4075/49/9/092001	journal	April 2016
Shock-induced shear bands in an energetic molecular crystal: Application of shock-front absorbing boundary conditions to molecular dynamics simulations Cawkwell, M. J.; Sewell, Thomas D.; Zheng, Lianqing Physical Review B, Vol. 78, Issue 1 https://doi.org/10.1103/physrevb.78.014107	journal	July 2008
Direct Visualization of Laser-Driven Focusing Shock Waves Pezeril, T.; Saini, G.; Veysset, D. Physical Review Letters, Vol. 106, Issue 21 https://doi.org/10.1103/physrevlett.106.214503	journal	May 2011
Shock Waves in High-Energy Materials: The Initial Chemical Events in Nitramine RDX Strachan, Alejandro; van Duin, Adri C. T.; Chakraborty, Debashis Physical Review Letters, Vol. 91, Issue 9 https://doi.org/10.1103/physrevlett.91.098301	journal	August 2003
Irena : tool suite for modeling and analysis of small-angle scattering Ilavsky, Jan; Jemian, Peter R. Journal of Applied Crystallography, Vol. 42, Issue 2 https://doi.org/10.1107/s0021889809002222	journal	February 2009
The crystal structure of cyclotrimethylenetrinitramine Choi, C. S.; Prince, E. Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 28, Issue 9 https://doi.org/10.1107/s0567740872007046	journal	September 1972
Development of combined microstructure and structure characterization facility for in situ and operando studies at the Advanced Photon Source Ilavsky, Jan; Zhang, Fan; Andrews, Ross N. Journal of Applied Crystallography, Vol. 51, Issue 3 https://doi.org/10.1107/s160057671800643x	journal	June 2018
Inertial Confinement Fusion Using the OMEGA Laser System Radha, P. B.; Betti, R.; Boehly, T. R. IEEE Transactions on Plasma Science, Vol. 39, Issue 4 https://doi.org/10.1109/tps.2011.2109949	journal	April 2011
Fracture of Glass in Vacuum Wiederhorn, S. M.; Johnson, H.; Diness, A. M. Journal of the American Ceramic Society, Vol. 57, Issue 8 https://doi.org/10.1111/j.1151-2916.1974.tb10917.x	journal	August 1974
A Locally Adapting Technique for Edge Detection using Image Segmentation Howard, Marylesa; Hock, Margaret C.; Meehan, B. T. SIAM Journal on Scientific Computing, Vol. 40, Issue 4 https://doi.org/10.1137/17m1155363	journal	January 2018
U LTRAFAST S PECTROSCOPY OF S HOCK W AVES IN M OLECULAR M ATERIALS Dlott, Dana D. Annual Review of Physical Chemistry, Vol. 50, Issue 1 https://doi.org/10.1146/annurev.physchem.50.1.251	journal	October 1999
Thinking big (and small) about energetic materials Dlott, D. D. Materials Science and Technology, Vol. 22, Issue 4 https://doi.org/10.1179/174328406x83987	journal	April 2006
Crystal sensitivities of energetic materials Walley, S. M.; Field, J. E.; Greenaway, M. W. Materials Science and Technology, Vol. 22, Issue 4 https://doi.org/10.1179/174328406x91122	journal	April 2006
Comparison of Deformation and Shock Reactivity for Single Crystals of RDX and Ammonium Perchlorate Sandusky, H. W.; Beard, B. C.; Glancy, B. C. MRS Proceedings, Vol. 296 https://doi.org/10.1557/proc-296-93	journal	January 1992

Similar Records

Rotational defects in cyclotrimethylene trinitramine (RDX) crystals

Journal Article · 2014 · Journal of Chemical Physics · OSTI ID:22255184

Pal, A.; Picu, R. C.

A High-Rate, Single-Crystal Model for Cyclotrimethylene Trinitramine including Phase Transformations and Plastic Slip

Journal Article · 2017 · Journal of Applied Physics · OSTI ID:1369176

Addessio, Francis L.; Luscher, Darby Jon; Cawkwell, Marc Jon; +1 more

Interactions of Cyclotrimethylene Trinitramine (RDX) with Metal-Organiz Framework IRMOF-1

Journal Article · 2009 · Journal of Physical Chemistry C · OSTI ID:1004977

Odbadrakh, Khorgolkhuu; Lewis, James; Nicholson, Don M; +3 more

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Chemistry
Chemistry - Chemical explosives
Crystals
Deformation
Materials science
Mathematical methods
Polymers
Quantum mechanics
Solid state physics

Title: Pressure-Thresholded Response in Cylindrically Shocked Cyclotrimethylene Trinitramine (RDX)

Citation Formats

References (63)

Similar Records

Related Subjects