Bulletin of the American Physical Society
20th Biennial Conference of the APS Topical Group on Shock Compression of Condensed Matter
Volume 62, Number 9
Sunday–Friday, July 9–14, 2017; St. Louis, Missouri
Session F6: Equation of State I |
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Chair: Carl Greeff, Los Alamos National Laboratory Room: Regency Ballroom E |
Monday, July 10, 2017 5:00PM - 5:15PM |
F6.00001: Equation of State of an Aluminum Teflon Mixture william reinhart, Lalit Chhabildas, Leonard Wilson A test program has been conducted at Sandia National Laboratories for the development of a competent model for polymeric mixtures This is to promote an understanding of reactions that may undergo under high pressures and high temperature conditions that exist under dynamic loading. An aluminum teflon composite mixture was chosen for this study. A series of plate impact experiments were conducted utilizing propellant and light gas guns to provide basic material properties needed for the computational analysis that includes Hugoniot data at shock pressures up to 60 GPa. Velocity interferometry was used to obtain material velocity wave profiles for determination of shock Hugoniot data. This data will be useful to evaluate various mixture material models that evaluate reaction kinetics for such systems Sandia National Laboratories is a multi-mission laboratory operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin company, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. [Preview Abstract] |
Monday, July 10, 2017 5:15PM - 5:30PM |
F6.00002: Modeling a High Explosive Cylinder Experiment Marvin A. Zocher Cylindrical assemblies constructed from high explosives encased in an inert confining material are often used in experiments aimed at calibrating and validating continuum level models for the so-called equation of state (constitutive model for the spherical part of the Cauchy tensor). Such is the case in the work to be discussed here. In particular, work will be described involving the modeling of a series of experiments involving PBX-9501 encased in a copper cylinder. The objective of the work is to test and perhaps refine a set of phenomenological parameters for the Wescott-Stewart-Davis reactive burn model. The focus of this talk will be on modeling the experiments, which turned out to be non-trivial. The modeling is conducted using ALE methodology. [Preview Abstract] |
Monday, July 10, 2017 5:30PM - 5:45PM |
F6.00003: Building the equation of state of TATB from ab initio simulations and DAC experiments Nicolas Pineau, Thomas Plisson, Arnaud Sollier Modelling equations of state for energetic molecular crystals in the full thermodynamic range of inert compression, prior to detonation, is a challenging issue. Indeed the unreacted regime under high pressure is difficult to explore experimentally, and although first principle calculations allow filling that gap (T.R. Shan et al., J. Phys. Chem B, 117 (2013), 928; E. Stavrou et al. J. Chem. Phys., 143 (2015), 144506), the need for experimental support is crucial in order to validate the chosen methodological approach, and \textit{in fine} the simulation results. In this study we present our methodology for building \textit{ab initio} based EOSs for molecular crystals, using van der Waals corrected DFT (J.P. Perdew et al., Phys. Rev. Lett. 77 (1996), 3865; S. Grimme, J. Comput. Chem. 27 (2006), 1787) and Path Integral Molecular Dynamics (PIMD). Then we present recent experimental results on the isotropic compression of TATB using diamond anvil cells (DAC) and synchrotron radiation to reach pressures up to 65 GPa, beyond the current estimations for the von Neumann spike. The close agreement between the experimental and simulation data validates the methodology employed to obtain the cold curve of the explosive. The shock properties of inert TATB obtained with this EOS compare well to recent laser-driven shock compression experiments. [Preview Abstract] |
Monday, July 10, 2017 5:45PM - 6:00PM |
F6.00004: 300 K Isothermal Equations of State of DADNE, DNAN, and LX-17 Joseph Zaug, Elissaios Stavrou, Paulius Grivickas, Phil Pagoria, Donald Hansen, Franco Gagliardi, John Sain, Sorin Bastea Using a direct optical-based measurement approach, we report 10 GPa scale, 300 K isothermal equations of state (EOS) of single crystal 1,1-Diamino-2,2-dinitroethylene (DADNE, FOX-7), single crystal 2,4, Dintrosoanisole (DNAN) and a polymer blended explosive (PBX) composite LX-17 (92.5{\%} triamino trinitro benzene (TATB), and 7.5{\%} KEL-F 800). Results from quasi-statically compressed LX-17 represent the first-ever isothermal EOS measurements of a PBX. Recently, we published a paper outlining the utility of using in-house optical microscopy and interferometry (OMI) diagnostics to directly measure pressure dependent sample volumes of single crystals TATB and alpha-NTO compressed within diamond-anvil cell sample chambers. (Our TATB OMI results agree remarkably well with two independent powder x-ray diffraction EOS studies.) In addition, here we report single crystal pressure dependent indices of refraction from DADNE that clearly signal the onset of electronic and/or molecular (structural) transitions that are otherwise indistinguishable in 300 K plotted pressure-volume EOS isotherms. EOS model parameters are reported from weighted and unweighted fits to the OMI experimental data. [Preview Abstract] |
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