Unlocking the Mysteries of High-Explosive Science

Project Overview

Lawrence Livermore National Laboratory's (LLNL's) Weapons and Global Security programs require a deep knowledge of high explosives (HE), but we have gaps in our knowledge due to a lack of experimental data. For instance, the temperature and chemistry of reaction can be calculated by the Laboratory's physics and thermochemistry codes but has never been directly measured on 10's ns timescales of interest. This project advanced our understanding of HE by engaging in a three-phased approach that produced never-before-captured experimental data quantifying the response of HE during reaction. The first two phases were conducted in parallel. During the first phase of the project, the team developed, innovated, and applied novel diagnostic techniques for measuring in situ, dynamic, high-explosive events at the Laboratory's High Explosives Applications Facility (HEAF). During the second phase, concepts were evaluated on a series of laser shots at the Advanced Photon Source (APS), Jupiter Laser, and the OMEGA Laser Facilities. The capstone phase of the project combined developments into a comprehensive characterization of the detonation reaction zone through a proof of concept shot at the National Ignition Facility. Across all these phases, LLNL researchers and university collaborators investigated modeling and simulation techniques on new experimental data sets. Together, these phases integrated new diagnostics and experimental methods to provide detailed, temporally and spatially resolved data on the evolving temperature and chemistry of a reacting insensitive high explosive—data that is unprecedented in HE Science. Through this LDRD, LLNL has taken the lead in the scientific understanding of the burgeoning field of High Energy Density (HED) novel capabilities for High Explosive applications and the application of predictive modeling methodologies therein.

Mission Impact

By enabling the measurement of critical thermodynamic state variables, dynamically and in-situ, and coupling those investigations to improve predictive modeling, LLNL made substantial progress toward a unified, predictive, computational model for HE detonation and safety performance. This supports the DOE/NNSA goals of managing the nuclear stockpile, reducing nuclear threat, and strengthening our science, technology, and engineering base. This research contributes to the Laboratory's core competency in high explosives physics, chemistry, and materials science and supports our research-and-development challenges in nuclear threat reduction. This work will enable our national security mission partners at the Department of Defense and the Department of Homeland Security which benefit from the advanced modeling and theoretical understanding in our Strategic Partnership Programs.

Publications, Presentations, and Patents

Bassett, W. P.; B. P. Johnson, L. Salvati III, D. D. Dlott. 2019a. "Hot-spot generation and growth in shocked plastic-bonded explosives studied by optical pyrometry," J. Appl. Phys. 2019, 125 (21), 215904. LLNL-JRNL-777438.

Bassett, W. P., B. P. Johnson, D. D. Dlott. 2019b. "Dynamic absorption in optical pyrometry of hot spots in plastic-bonded triaminotrinitrobenzene," Appl. Phys. Lett. 2019, 114 (19), 194101. LLNL-JRNL-767687.

Bassett, W.P., B. P. Johnson, D. D. Dlott. 2019c. "Optical Pyrometry of Shock-induced Hot Spots in Plastic-bonded Triaminotrinitrobenzene," Applied Physics Letters, May 14, 2019, pp. 114. LLNL-JRNL-767687.

Bassett, W. P., B. P. Johnson, L. Salvati III, E. J. Nissen, M. Bhowmick, D. D. Dlott. 2020a. "Shock Initiation Microscopy with High Time and Space Resolution," Propellants, Explosives, and Pyrotechnics, January 24, 2020, pp. 1-45. LLNL-JRNL-779582.

Bassett, W. P., B. P. Johnson, D. D. Dlott. 2020b. "Hot Spot Chemistry in Several Polymer-bound Explosives under Nanosecond Shock Conditions," Propellants, Explosives, and Pyrotechnics, 2020-02, Vol.45 (2), p.338-346. LLNL-JRNL-781687.

Li, Chunyu, Brenden W. Hamilton, and Alejandro Strachan. 2020. "Hotspot formation due to shock-induced pore collapse in 1,3,5,7-tetranitro-1,3,5,7-tetrazoctane (HMX); Role of pore shape and shock strength in collapse mechanism and temperature," Journal of Applied Physics 127, 175902 (2020). LLNL-JRNL-804048.

Hamilton, B. W., M. P. Kroonblawd, M. M. Islam, A. Strachan. 2019. "Sensitivity of the Shock Initiation Threshold of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) to Nuclear Quantum Effects," J. Phys. Chem. C 123, 21969 (2019). LLNL-JRNL-772406.

Hamilton, B. W., B. A. Steele, M.l Sakano, M. P. Kroonblawd, I.F. W Kuo, A. Strachan. 2021a. "Predictions for Reaction Mechanisms, Kinetics, and Detonation Properties of the Insensitive Explosive 2,6-Diamino-3,5-Dinitropyrazine-1-Oxide (LLM-105) at Multiple Levels of Theory," Journal of Physical Chemistry A, March 4, 2021, Vol.125 (8), p.1766-1777. LLNL-JRNL-815831.

Hamilton, B. W., M. P. Kroonblawd, C. Li, A. Strachan. 2021b. "A Hotspot's Better Half: Non-Equilibrium Intra-Molecular Strain in Shock Physics," Journal of Physical Chemistry Letters, 2021-03-25, Vol.12 (11), p.2756-2762. LLNL-JRNL-808489.

Kroonblawd M.P. and L. E. Fried. 2020. "Hot Spot Ignition through Shear Banding in TATB Single Crystals Shocked to Detonation Pressures,", Physical Review Letters, vol. 124, no. 20, May 22, 2020, pp. 206002. LLNL-JRNL-795742.

Kroonblawd, M.P., B. W. Hamilton, A. Strachan. 2021. "Fourier-like Thermal Relaxation of Nanoscale Explosive Hot Spots," J. Phys. Chem. C, https://doi.org/10.1021/acs.jpcc.1c05599, LLNL-JRNL-823761.

Marshall, M. C., A. Fernandez-Pañella, T. W. Myers, J. H. Eggert, D. J. Erskine, S. Bastea, L. E. Fried, and L. D. Leininger. 2020. "Shock Hugoniot measurements of single-crystal 1, 3, 5-triamino-2, 4, 6-trinitrobenzene (TATB) compressed to 83 GPa," Journal of Applied Physics 127, no. 18 (2020): 185901. LLNL-JRNL-805330.

Springer, H. K., W. P. Bassett, S. Bastea, S. Stekovic, and C. M. Tarver. 2020. "Modeling Hot Spot Experiments on Shocked Octahydro-1,3,5,7-Tetranitro-1,3,5,7-Tetrazocine," Propellants Explos. Pyrotech. 2020, 45, 330-337. LLNL-JRNL-774207.

Stavrou, E., M.l Bagge-Hansen, J. A. Hammons, M. H. Nielsen, B. A. Steele, P. Xiao, M. P. Kroonblawd, M. D. Nelms, W. L. Shaw, W. Bassett, S. Bastea, L. M. Lauderbach, R. L. Hodgin, N. A. Perez-Marty, S. Singh, P. Das, Y. Li, A. Schuman, N. Sinclair, K.l Fezzaa, A. Deriy, L. D. Leininger, and T. M. Willey. 2020. "Detonation-induced transformation of graphite to hexagonal diamond," Phys. Rev. B 102, 104116 (2020). LLNL-JRNL-812742.

Stavrou, E., M. Bagge-Hansen, J. A. Hammons, M. H. Nielsen, W. L. Shaw, W. Bassett, T. W. Myers, L. M. Lauderbach, R. L. Hodgin, N. A. Perez-Marty, K. Fezzaa, A. Deriy, S. Bastea, L. E. Fried, L. D. Leininger, T. M. Willey. 2021. "Structural study of TATB under detonation-induced shock conditions,"Accepted in Physical Review Materials. LLNL-TR-824830, LLNL-JRNL-813105.

Steele, B. A., S. M. Clarke, M. P. Kroonblawd, I-Feng W. Kuo, P. F. Pagoria, S. N. Tkachev, J. S. Smith, S. Bastea, L. E. Fried, J. M. Zaug, E. Stavrou, and O. Tschauner. 2019. "Pressure-induced phase transition in 1,3,5-Triamino-2,4,6-trinitrobenzene (TATB)." Appl. Phys. Lett. 114, 191901 (2019). LLNL-JRNL-765599.

Steele B. A., E. Stavrou, V. Prakapenka, M. P. Kroonblawd, I-Feng. W. Kuo. 2020. "High-Pressure Equation of State of 1,3,5-triamino-2,4,6-trinitrobenzene: Insights into the Monoclinic Phase Transition, Hydrogen Bonding, and Anharmonicity," Journal of Physical Chemistry A, 2020 124 (50), 10580-10591. LLNL-JRNL-815442.

Steele, B. A. 2021. "Predicted Reaction Mechanisms, Product Speciation, Kinetics, and Detonation Properties of the Insensitive Explosive 2,6-Diamino-3,5-Dinitropyrazine-1-Oxide (LLM-105)," Journal of Physical Chemistry A, 2021-03-04, Vol.125 (8), p.1766-1777. LLNL-JRNL-815831.

Willey, T. 2019. "New Frontiers in Experimentally Observing Detonation Properties," Propellants, Explosives, Pyrotechnics, vol 44 p 259 05 March 2019. LLNL-JRNL-758736.

Austin, R.A., M. P. Kroonblawd, M. D. Nelms, L. E. Fried. 2020. "High explosive modeling at LLNL: grain-scale and atomistic efforts." 2019 MURI workshop meeting. University of Missouri-Columbia. September 2019. LLNL-PRES-790077

Bassett, W.P., B. P. Johnson, L. Salvati, D. D. Dlott. 2018. "Using Shock Compression Microscopy for Measurements of Detonative and Sub-Detonative Dynamics in PBXs." 16^th International Detonation Symposium, 2018. LLNL-PROC-754186.

Bassett, W. P. 2019d. "Hot Spot Temperatures in Several PBXs: A Look Into the Reaction Zone." 21st Biennial Conference of the APS Topical Group on Shock Compression of Condensed Matter (SHOCK19), Invited Talk, June 2019. LLNL-PRES-778157.

Bassett, W. P., B. P. Johnson, L. Salvati III, D. D. Dlott. 2019e. "Pyrometry in the Reaction Zone of PETN- and RDX-based Polymer Bound Explosives." 21st Biennial Conference of the APS Topical Group on Shock Compression of Condensed Matter (SHOCK19) June 2019. LLNL-PROC-782256.

Bassett, W. P. B. P. Johnson, L. Salvati III, D. D. Dlott. 2019f. "Shock-Initiation of Explosives Under the Microscope." 21st Biennial Conference of the APS Topical Group on Shock Compression of Condensed Matter (SHOCK19), June 2019. LLNL-PRES-754185.

Dlott, D. D., M. Akhtar, W. P. Bassett, M. Bhowmick, B. P. Johnson, S. Matveev, E. Nissen, L. E. Salvati III, S. Stekovic, W. Zhang, X. Zhou. 2019. "Shock Compression Microscopy: Shocked Materials with High Time and Space Resolution." 21st Biennial Conference of the APS Topical Group on Shock Compression of Condensed Matter (SHOCK19), June 2019. LLNL-PROC-782266.

Grivickas, P., M. Nelms, R. Austin, B. Baer, J. Crowhurst, M. P. Kroonblawd, S. Ali, C. Davis, T. Bunt, T. Myers, M. Rhodes, J. Zaug, L. D. Leininger. 2019. "Search for an elastic-plastic transition in single-crystal TATB using a laser drive." 21st Biennial Conference of the APS Topical Group on Shock Compression of Condensed Matter (SHOCK19), June 2019. LLNL-PRES-778158.

Hamilton, B. W., M. P. Kroonblawd, M. M. Islam, A. Strachan. 2019b. "Nuclear Quantum Effects and their Role in Shock Induced Chemical Initiation of TATB." 21^st Biennial Conference of the APS Topical Group on Shock Compression of Condense Matter, Portland, OR, Jun. 2019. LLNL-PRES-777680.

Kroonblawd, M. P. 2018. "Towards predictive modeling of molecular materials at extremes: Critical insights from atomistics for understanding shocks and transport." The Department of Mechanical Engineering, University of Maryland, College Park, MD, Oct. 2018 (Invited Seminar). LLNL-PRES-759424.

Nelms, M. D., M.P. Kroonblawd, R.A. Austin. 2019. "Pore Collapse in Single-Crystal TATB Under Shock Compression." 21st Biennial Conference of the APS Topical Group on Shock Compression of Condensed Matter (SHOCK19) June 2019. LLNL-CONF-784800, LLNL-PRES-777682.

Nelms M. D., R. A. Austin, M. P. Kroonblawd. 2020a. "Energy localization in shock-compressed TATB bicrystals." 2 MURI workshop meeting. Annapolis, MD. April 2019. LLNL-PRES-770910.

Nelms, M. D., R. A. Austin, M. P. Kroonblawd, P. Grivickus, B. Baer, J. Crowhurst, S. Ali, C. Davis, T. Bunt, L. Leininger. 2020b. "Probing the elastic-plastic behavior of single-crystal TATB using the Jupiter Laser Facility."NIF and JLF User Group Meeting. Livermore, CA. February 2019. LLNL-PRES-767923.

Steele, B. A., I. W. Kuo. 2019a. "Probing Equations of State and Novel Phases of Energetic Crystals via First Principles Simulations." APS March Meeting, Contributed Talk, March 2019. LLNL-PRES-768357.

Steele, B. A. 2019b. "High Pressure Chemistry as a Route Toward Novel Energetic Materials Using First Principles Crystal Structure Prediction." 21st Biennial Conference of the APS Topical Group on Shock Compression of Condensed Matter (SHOCK19), Invited Talk, June 2019. LLNL-PRES-778097.

Steele, B. A. 2020b. "Dynamics of the High-Pressure Phase Transition in 2,4,6-triamino-1,3,5-trinitrobenzene (TATB)." APS March Meeting Day, March 2-6, 2020; Denver, Colorado, oral presentation.

Gregor, M. C., A. Fernandez Panella, T. Myers, J. H. Eggert, D. Erskine, T. Bunt, J. Zaug, P. Grivickas, L. Lauderbach, L. D. Leininger. 2018a. "The Hugoniot of TATB shock compressed to 80 GPa." Gordon Research Conference, Research at High Pressure, Holderness, NH, 15-20 July 2018. LLNL-POST-754247.

Gregor, M. C., A. Fernandez Panella, T. Myers, J. H. Eggert, T. Bunt, J. Zaug, P. Grivickas, L. Lauderbach, L. D. Leininger. 2018b. "The shock response of energetic materials undergoing reaction." 10^th Annual Omega Laser Users Group Meeting, Rochester, NY, 25-27 April 2018. LLNL-POST-749719.

Marshall, M.C., A. Fernandez-Panella, M. G. Gorman, T. Myers, D. Erskine, S. Bastea, L. Fried, T. Bunt, L. Lauderbach, J. H. Eggert, L. D. Leininger. 2019. "Exploring Chemical Reaction and the Equation of State of Energetic Materials at High-Energy-Density Conditions." 11th Annual Omega Laser Users Group Meeting, Rochester, NY, 24-26 April 2019. LLNL-POST-772477.

Willey, T., J. A. Hammons, M. Bagge-Hansen, M. H. Nielsen, L. M. Lauderbach, R. Hodgin, W. Shaw, W. Bassett, E. Stavrou, S. Bastea, L. Fried, L. Leininger. 2018. "Observing Formation of Detonation Nanodiamond at Sub-Microsecond Timescales at the Advanced Photon Source." American Vacuum Society, Long Beach, October 2018. LLNL-POST-793733.

Willey, T. 2019. "Frontiers in Experimental Observations of Detonation Properties with X-rays." 21st Biennial Conference of the APS Topical Group on Shock Compression of Condensed Matter (SHOCK19). Invited Talk, June 2019. LLNL-ABS-768202.

Reynolds, J. G., L.D. Leininger, T. W. Myers. 2019. ENHANCED COLORIMETRIC APPARATUS AND METHOD FOR EXPLOSIVES DETECTION USING IONIC LIQUIDS, Filed: Jul 12, 2019
Publication Date: Jan 14, 2021
Application Number: 16/509,828
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Bassett, W.P. 2019g. MOBILE FIBER-COUPLED PYROMETRY SYSTEM Filed: 5/3/2019
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Reynolds, J. G., L. D. Leininger, A. Racoveanu. 2018. COLORIMETRIC DETECTION OF ENERGETIC MATERIALS
Publication number: 20200158652
Filed: November 16, 2018
Publication date: May 21, 2020
IL13307