Theoretical and computer models of detonation in solid explosives

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Recent experimental and theoretical advances in understanding energy transfer and chemical kinetics have led to improved models of detonation waves in solid explosives. The Nonequilibrium Zeldovich - von Neumann - Doring (NEZND) model is supported by picosecond laser experiments and molecular dynamics simulations of the multiphonon up-pumping and internal vibrational energy redistribution (IVR) processes by which the unreacted explosive molecules are excited to the transition state(s) preceding reaction behind the leading shock front(s). High temperature, high density transition state theory calculates the induction times measured by laser interferometric techniques. Exothermic chain reactions form product gases in highly excited vibrational states, ... continued below

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26 p.; Other: FDE: PDF; PL:

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Tarver, C.M. & Urtiew, P.A. October 1, 1997.

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Recent experimental and theoretical advances in understanding energy transfer and chemical kinetics have led to improved models of detonation waves in solid explosives. The Nonequilibrium Zeldovich - von Neumann - Doring (NEZND) model is supported by picosecond laser experiments and molecular dynamics simulations of the multiphonon up-pumping and internal vibrational energy redistribution (IVR) processes by which the unreacted explosive molecules are excited to the transition state(s) preceding reaction behind the leading shock front(s). High temperature, high density transition state theory calculates the induction times measured by laser interferometric techniques. Exothermic chain reactions form product gases in highly excited vibrational states, which have been demonstrated to rapidly equilibrate via supercollisions. Embedded gauge and Fabry-Perot techniques measure the rates of reaction product expansion as thermal and chemical equilibrium is approached. Detonation reaction zone lengths in carbon-rich condensed phase explosives depend on the relatively slow formation of solid graphite or diamond. The Ignition and Growth reactive flow model based on pressure dependent reaction rates and Jones-Wilkins-Lee (JWL) equations of state has reproduced this nanosecond time resolved experimental data and thus has yielded accurate average reaction zone descriptions in one-, two- and three- dimensional hydrodynamic code calculations. The next generation reactive flow model requires improved equations of state and temperature dependent chemical kinetics. Such a model is being developed for the ALE3D hydrodynamic code, in which heat transfer and Arrhenius kinetics are intimately linked to the hydrodynamics.

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26 p.; Other: FDE: PDF; PL:

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OSTI as DE98051260

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  • International workshop on new models and numerical codes for shock wave processes in condensed media, Oxford (United Kingdom), 15-19 Sep 1997

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  • Other: DE98051260
  • Report No.: UCRL-JC--128755
  • Report No.: CONF-9709108--
  • Grant Number: W-7405-ENG-48
  • Office of Scientific & Technical Information Report Number: 622610
  • Archival Resource Key: ark:/67531/metadc690922

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  • October 1, 1997

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  • Aug. 14, 2015, 8:43 a.m.

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  • Feb. 23, 2016, 12:39 p.m.

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Tarver, C.M. & Urtiew, P.A. Theoretical and computer models of detonation in solid explosives, article, October 1, 1997; California. (digital.library.unt.edu/ark:/67531/metadc690922/: accessed June 20, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.