APS Logo

Matter at Extreme Conditions: Energetic Materials I

FOCUS · B27 · ID: 48476

Presentations

  • Tuning Physical and Chemicalproperties of explosives through Synthetic Modifications

    ORAL · Invited

    –

    Publication: Lease, N.; Kay, L.; Chavez, D.E.; Robbins, D.; Manner, V.W. Increased Handling Sensitivity of Molten Erythritol Tetranitrate (ETN). Journal of Hazardous Material. 2019, 367, 546-549.<br>Lease, N.; Kay, L.M.; Brown, G.W.; Chavez, D.E.; Leonard, P.W.; Robbins, D.; Manner, V.W. Modifying Nitrate Ester Sensitivity Properties Using Explosive Isomers. Crystal Growth Des. 2019, 19(11), 6708-6714.<br>Lease, N.; Kay, L.M.; Brown, G.W.; Chavez, D.E.; Robbins, D.; Byrd, E.F.C.; Imler, G.H.; Parrish, D.A.; Manner, V.W. Synthesis of Erythritol Tetranitrate Derivatives: Functional Group Tuning of Explosive Sensitivity. J. Org. Chem. 2020, 85, 4619-4626.<br>Lease, N.; Holmes, M.D.; Englert-Erickson, M.A.; Kay, L.M.; Francois, E.G.; Manner, V.W. "Analysis of Ignition Sites for the Explosives 3,3'-diamino-4,4'-azoxyfurazan (DAAF) and 1,3,5,7-Tetranitro-1,3,5,7-tetrazoctane (HMX) Using Crush Gun Impact Testing". Manuscript Accepted to ACS Materials Au. https://doi.org/10.1021/acsmaterialsau.1c00013

    Presenters

    • Nicholas Lease

      Los Alamos National Laboratory

    Authors

    • Nicholas Lease

      Los Alamos National Laboratory

    • Virginia W Manner

      Los Alamos National Laboratory, Los Alamos Natl Lab

    • Lisa Klamborowski

      Los Alamos National Lab

    View abstract →

  • EVALUATION OF PRECURSOR SHOCK EVOLUTION IN ADDITIVE-MANUFACTURED HIGH EXPLOSIVESTRUCTURES

    ORAL

    –

    Presenters

    • Cameron Brown

      Los Alamos National Laboratory

    Authors

    • Cameron Brown

      Los Alamos National Laboratory

    • Alexander Mueller

      Los Alamos National Laboratory

    • Andrew Schmalzer

      Los Alamos National Laboratory

    • Bryce C Tappan

      Los Alamos National Laboratory

    • Joe Lichthardt

      Los Alamos National Laboratory

    • Maria Campbell

      Los Alamos National Laboratory

    • Sridhar Seetharaman

      Arizona State University

    View abstract →

  • Molecular Ferroelectrics as Chemically Driven Energetics

    ORAL

    –

    Publication: Yong Hu, Zhiyu Liu, Chi-Chin Wu, Jennifer L. Gottfried, Rose A. Pesce-Rodriguez, Scott D. Walck, Peter W. Chung, Shrnqiang Ren. Chemically driven energetic molecular ferroelectics, Nature Communications 12, 5696 (2021).<br>J. L. Gottfried, C.-C. Wu, R. A. Pesce-Rodriguez, S. D. Walck, S. Ren. Imidazolium Percholorate: A novel energetic molecular ferroelecric. ARL Technical Report (Distribution A), ARL-TR-9289, Sep 2021.

    Presenters

    • Yong Hu

      State Univ of NY - Buffalo

    Authors

    • Yong Hu

      State Univ of NY - Buffalo

    • Chi-Chin Wu

      US Army Research Lab, US Army Research Lab Aberdeen

    • Jennifer L Gottfried

      US Army Research Lab Aberdeen

    • Rose A Pesce-Rodriguez

      US Army Research Laboratory

    • Zhiyu Liu

      University of Maryland, College Park

    • Scott D Walck

      Survice Engineering Co., Survice Engineering

    • Peter W Chung

      University of Maryland, College Park

    • Shenqiang Ren

      SUNY-Buffalo

    View abstract →

  • Quantum mechanics studies on the stability mechanism and detonation performance of high-energy-density materials

    ORAL · Invited

    –

    Publication: 1. Das, J.; Shem-Tov, D.; Wang, S.; Zhang, L*.; Flaxer, E.; Zhang, S.; Stierstorfer, J.; Wang, K.; Yan, Q.-L.; Dobrovetsky, R.; Gozin, M. Hydride- and Boron-free Solid Hypergolic H2O2-Ignitophores. Chemical Engineering Journal 2021, 426, 131806, 2021 <br>2. Li, C.; Huang, Y.; Sun, C.Q.; Zhang, L.*. Acidic Stabilization of the Dual-Aromatic Heterocyclic Anions. Catalysts 2021, 11, 766, 2021 <br>3. Huang, X.; Li, C.; Tan, K.; Wen, Y.; Guo, F.; Li, M.; Huang, Y.; Sun, C.Q.; Gozin, M.; Zhang, L.*. Applying machine learning to balance performance and stability of high energy density materials. iScience 2021, 24, 102240, 2021<br>4. Shem-Tov, D.; Petrutik, N.; Wurzenberger, M.H.H.; Meincke, M.; Flaxer, E.; Tumanskii, B.; Zhang, L.; Dobrovetsky, R.; Fleischer, S.; Klapötke, T.M.; Stierstorfer, J. Low-Power Laser Ignition of an Antenna-Type Secondary Energetic Copper Complex: Synthesis, Characterization, Evaluation, and Ignition Mechanism Studies. Inorganic Chemistry 2021, 60, 10909-10922.<br>5. C.-Y. Li, H. Li, H.-H. Zong, Y. Huang, M. Gozin, C. Q. Sun, L. Zhang*. Strategies for Achieving Balance Between Performance and Crystal Stability of High Energy Density Materials; iScience; 23, 100944-1-26, 2020 <br>6. H. Li; L. Zhang*; N. Petrutik; K. Wang; Q. Ma; D. Shem-Tov; F. Zhao; M. Gozin*. Molecular and Crystal Features of Thermostable Energetic Materials: Guidelines for Architecture of "Bridged Compounds; ACS Central Science; 6, 54-75, 2020 <br>7. C. Yao; Y. Yang; Y. Yu; X. Wang; L. Zhang*. How Stable and Powerful Can Metal Cyclo-pentazolate Salts Achieve? An Answer Through Theoretical Crystal Design; Crystal Growth & Design; 20, 4794-4801, 2020 <br>8. H.-H. Zong, C. Yao, C. Q. Sun, J.-G. Zhang, L. Zhang*. Structure and Stability of Aromatic Nitrogen Heterocycles Used in the Field of Energetic Materials. Molecules; 25, 3232, 2020 <br>9. C.-Y. Li, Y. Huang, C. Q. Sun, L. Zhang*. Theoretical Study on Improvement Strategy of Crystal Stability and Detonation Performance of Cocrystal Explosive; Chinese Journal of Energetic Materials; 28,854, 2020 <br>10. C. Yao, Y. Yang, Y. Yu, C. Q. Sun, L. Zhang*. Effect of vacancy defect on shock reaction and damage evolution of pentazolate salt Mn(N5)2; Chinese Journal of Energetic Materials; 28, 1003-1009, 2020 <br>11. L. Zhang*, Michael Gozin. Computational Strategies for Design of Energetic Materials with Improved Detonation Performance; Proceedings of the 23rd Seminar on New Trends in Research of Energetic Materials (NTREM), pp. 8-15; Pardubice, Czech Republic, 2020. <br>12. L. Zhang*, C. Yao, Y. Yu, X. Wang, C.Q. Sun, J. Chen. Mechanism and Functionality of Pnictogen Dual Aromaticity in Pentazolate Crystals; ChemPhysChem; 20, 1-7, 2019 <br>13. L. Zhang*, C. Yao, Y. Yu, S.-L. Jiang, C. Q. Sun, J. Chen. Stabilization of the Dual-Aromatic cyclo-N5ˉ Anion by Acidic Entrapment; Journal of Physical Chemistry Letters; 10, 2378-2385, 2019 <br>14. L. Zhang, S.-L. Jiang, Y. Yu, J. Chen. Revealing Solid Properties of High-energy-density Molecular Cocrystals from the Cooperation of Hydrogen Bonding and Molecular Polarizability; Scientific Reports; 9,1257-1-7, 2019 <br>15. L. Zhang*, Y. Yu, M. Xiang. A study of the shock sensitivity of energetic single crystals by large-scale ab initio molecular dynamics simulations; Nanomaterials; 9, 1215-1-13, 2019 <br>16. C. Jiang#, L. Zhang#, C. Sun, C. Zhang, C. Yang, J. Chen, B. Hu. Response to Comment on "Synthesis and characterization of the pentazolate anion cyclo-N5ˉ in (N5)6(H3O)3(NH4)4Cl."; Science; 359, eaas8953-1-3, 2018 <br>17. L. Zhang, Y.-H. Zhao, S.-L. Jiang, Y. Yu, X. Wang, H.-Y. Zhao, C.-Y. Li, J. Chen. Theoretical Study on Thermodynamic Stability and Detonation Performance of CL-20 and Its Cocrystal; Chinese Journal of Energetic Materials; 26 (6), 464-470, 2018 <br>18. H.-H. Zong; L. Zhang*; W.-B. Zhang; S.-L. Jiang; Y. Yu; J. Chen. Structural, Mechanical Properties and Vibrational Spectra of LLM-105 under High Pressures from A First-principles Study; Journal of Molecular Modeling, 23, 275-1-9, 2017 <br>19. L. Zhang, J.-Z. Wu, S.-L. Jiang, Y. Yu, J. Chen. From intermolecular interactions to structures and properties of a novel cocrystal explosive: a first-principles study; Physical Chemistry Chemical Physics; 18, 26960-26969, 2016 <br>20. L. Zhang, S. Jiang, Y. Yu, Y. Long, H. Zhao, L. Peng, J. Chen. Phase Transition in Octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) under Static Compression: An Application of the First-Principles Method Specialized for CHNO Solid Explosives; The Journal of Physical Chemistry B; 120, 11510-11522, 2016

    Presenters

    • Lei Zhang

      Institute of Applied Physics and Computa, Institute of Applied Physics and Computational Mathematics

    Authors

    • Lei Zhang

      Institute of Applied Physics and Computa, Institute of Applied Physics and Computational Mathematics

    • Michael Gozin

      Tel Aviv University

    View abstract →