Bulletin of the American Physical Society
19th Biennial Conference of the APS Topical Group on Shock Compression of Condensed Matter
Volume 60, Number 8
Sunday–Friday, June 14–19, 2015; Tampa, Florida
Session F3: Grain Scale to Continuum Modeling III: Methodology I |
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Chair: Laurence Fried, Lawrence Livermore National Laboratory, Arunachalam Rajendran, University of Mississippi Room: Grand G |
Monday, June 15, 2015 5:00PM - 5:30PM |
F3.00001: Mesoscopic description of hot spot phenomena: a route for hybrid multiscale simulations Invited Speaker: Jean-Bernard Maillet We describe large scale simulations of hot spot phenomena in single TATB crystals within the DPDE framework. The mesoscopic DPDE model is calibrated on all atom simulations, and particular attention is given to the rate of heat exchange between intramolecular and intermolecular degrees of freedom, which control the non-equilibrium behaviour of the system. Simulations of pore collapse at different shock speeds and for different pore sizes are performed, and a criterium for the quantification of the hot spot energy is proposed. These results are considered as reference data for subsequent comparison with top down simulations of similar processes. We present a reformulation of the (hydrodynamic) SDPD method allowing a direct coupling with the DPDE model, then opening the route for hybrid multiscale simulations. [Preview Abstract] |
Monday, June 15, 2015 5:30PM - 5:45PM |
F3.00002: Finite element code development for modeling detonation of HMX composites Adam Duran, Veera Sundararaghavan In this talk, we present a hydrodynamics code for modeling shock and detonation waves in HMX. A stable efficient solution strategy based on a Taylor-Galerkin finite element (FE) discretization was developed to solve the reactive Euler equations. In our code, well calibrated equations of state for the solid unreacted material and gaseous reaction products have been implemented, along with a chemical reaction scheme and a mixing rule to define the properties of partially reacted states. A linear Gruneisen equation of state was employed for the unreacted HMX calibrated from experiments. The JWL form was used to model the EOS of gaseous reaction products. It is assumed that the unreacted explosive and reaction products are in both pressure and temperature equilibrium. The overall specific volume and internal energy was computed using the rule of mixtures. Arrhenius kinetics scheme was integrated to model the chemical reactions. A locally controlled dissipation was introduced that induces a non-oscillatory stabilized scheme for the shock front. The FE model was validated using analytical solutions for sod shock and ZND strong detonation models and then used to perform 2D and 3D shock simulations. We will present benchmark problems for geometries in which a single HMX crystal is subjected to a shock condition. Our current progress towards developing microstructural models of HMX/binder composite will also be discussed. [Preview Abstract] |
Monday, June 15, 2015 5:45PM - 6:00PM |
F3.00003: Effect of load intensity on heating in a polymer-bonded explosive Seokpum Kim, Christopher Miller, Yasuyuki Horie, Min Zhou The ignition behavior of a HMX/Estane polymer-bonded explosive under impact loading with flyer velocities of 200 -- 1600 m/s is analyzed using a cohesive finite element method (CFEM) which accounts for large deformation, microcracking, and frictional heating. The formulation admits loading in both the shock and non-shock regimes. The study focuses on the changes in heating mechanisms as the load intensity increases. The heating in the microstructures is quantified in terms of the overall energy dissipation as well as hotspot clustering and density. It is found that microstructural attributes such as volume fraction of HMX, grain surface area, and clustering of grains significantly influence heating and the hotspot development, therefore, the ignition behavior of the materials. In addition, a shift in the dominant heating mechanism is seen as load intensity is increased from that of a non-shock nature to shock. Microstructure-performance relations are obtained. [Preview Abstract] |
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