The Extended History Variable Reactive Burn model (XHVRB), as proposed by Starkenburg, uses shock capturing rather than current pressure for calculating the pseudo-entropy that is used to model the reaction rate of detonating explosives. In addition to its extended capabilities for modeling explosive desensitization in multi-shock environments, XHVRB's shock capturing offers potential improvement for single shock modeling over the historically used workhorse model HVRB in CTH, an Eulerian shock physics code developed at Sandia National Labs. The detailed transition to detonation of PBX9501, as revealed by embedded gauge data, is compared to models with both HVRB and XHVRB. Improvements to the comparison of model to test data are shown with XHVRB, though not all of the details of the transition are captured by these single-rate models.
Explosive shock desensitization phenomena have been recognized for some time. It has been demonstrated that pressure-based reactive flow models do not adequately capture the basic nature of the explosive behavior. Historically, replacing the local pressure with a shock captured pressure has dramatically improved the numerical modeling approaches. A pseudo-entropy based formulation using the History Variable Reactive Burn model, as proposed by Starkenberg, was implemented into the Eulerian shock physics code CTH. Improvements in the shock capturing algorithm in the model were made that allow reproduction of single shock behavior consistent with published Pop-plot data. It is also demonstrated to capture a desensitization effect based on available literature data, and to qualitatively capture multi-dimensional desensitization behavior. This model shows promise for use in modeling and simulation problems that are relevant to the desensitization phenomena. Issues are identified with the current implementation and future work is proposed for improving and expanding model capabilities.
Burns, Malcolm B.; Price, Matthew P.; Tuttle, Leah W.; Whitworth, Nicholas W.; Aslam, Tariq A.; Schmitt, Robert G.; Jones, Justin J.; Goodbody, Austin G.; Batram, Brian B.; Gibson, Lee G.; Gustavsen, Richard L.
Quark nuggets are theoretical objects composed of approximately equal numbers of up, down, and strange quarks and are also called strangelets and nuclearites. They have been proposed as a candidate for dark matter, which constitutes ~85% of the universe's mass and which has been a mystery for decades. Previous efforts to detect quark nuggets assumed that the nuclear-density core interacts directly with the surrounding matter so the stopping power is minimal. Tatsumi found that quark nuggets could well exist as a ferromagnetic liquid with a ∼1012-T magnetic field. We find that the magnetic field produces a magnetopause with surrounding plasma, as the earth's magnetic field produces a magnetopause with the solar wind, and substantially increases their energy deposition rate in matter. We use the magnetopause model to compute the energy deposition as a function of quark-nugget mass and to analyze testing the quark-nugget hypothesis for dark matter by observations in air, water, and land. We conclude the water option is most promising.
Following previous experimental evidence of growth and arrest of Richtmyer-Meshkov instabilities in copper, we have used the CTH shock physics code to study and calibrate the effects of material strength at high strain rates. Highly resolved one and two-dimensional simulations were performed using the Johnson-Cook (JC), Mechanical Threshold Stress (MTS), and Preston-Tonks-Wallace (PTW) strength models. The one-dimensional simulations utilized a prescribed homogeneous deformation strain path covering strain rates observed in previous hydrodynamic instability experiments. Spall was modeled using a nominal threshold pressure model (PFRAC) and we use the Mie-Gruneisen equation of state to estimate the volumetric response of the experiments. Our results show good qualitative and quantitative agreement between numerical estimates and prior experiments in the strain rate regimes of interest.
We implemented two numerical simulation capabilities essential to reliably predicting the effect of non-ideal explosives (NXs). To begin to be able to treat the multiple, competing, multi-step reaction paths and slower kinetics of NXs, Sandia's CTH shock physics code was extended to include the TIGER thermochemical equilibrium solver as an in-line routine. To facilitate efficient exploration of reaction pathways that need to be identified for the CTH simulations, we implemented in Sandia's LAMMPS molecular dynamics code the MSST method, which is a reactive molecular dynamics technique for simulating steady shock wave response. Our preliminary demonstrations of these two capabilities serve several purposes: (i) they demonstrate proof-of-principle for our approach; (ii) they provide illustration of the applicability of the new functionality; and (iii) they begin to characterize the use of the new functionality and identify where improvements will be needed for the ultimate capability to meet national security needs. Next steps are discussed.
Traditional reactive flow modeling provides a computational representation of shock initiation of energetic materials. Most reactive flow models require ad hoc assumptions to obtain robust simulations, assumptions that result from partitioning energy and volume change between constituents in a reactive mixture. For example, most models assume pressure and/or temperature equilibrium for the mixture. Many mechanical insults to energetic materials violate these approximations. Careful analysis is required to ensure that the model assumptions and limitations are not exceeded. One limitation is that the shock to detonation transition is replicated only for strong planar shocks. Many models require different parameters to match data from thin pulse, ramp wave, or multidimensional loading, an approach that fails for complex loading. To accurately simulate reaction under non-planar shock impact scenarios a new formalism is required. The continuum mixture theory developed by Baer and Nunziato is used to eliminate ad hoc assumptions and limitations of current reactive flow models. This modeling paradigm represents the multiphase nature of reacting condensed/gas mixtures. Comparisons between simulations and data are presented.
Scalable thermal runaway models for cook-off of energetic materials (EMs) require realistic temperature- and pressure-dependent chemical reaction rates. The Sandia Instrumented Thermal Ignition apparatus was developed to provide in situ small-scale test data that address this model requirement. Spatially and temporally resolved internal temperature measurements have provided new insight into the energetic reactions occurring in PBX 9501, LX-10-2, and PBXN-109. The data have shown previously postulated reaction steps to be incorrect and suggest previously unknown reaction steps. Model adjustments based on these data have resulted in better predictions at a range of scales.
The cookoff of energetic materials involves the combined effects of several physical and chemical processes. These processes include heat transfer, chemical decomposition, and mechanical response. The interaction and coupling between these processes influence both the time-to-event and the violence of reaction. The prediction of the behavior of explosives during cookoff, particularly with respect to reaction violence, is a challenging task. To this end, a joint DoD/DOE program has been initiated to develop models for cookoff, and to perform experiments to validate those models. In this paper, a series of cookoff analyses are presented and compared with data from a number of experiments for the aluminized, RDX-based, Navy explosive PBXN-109. The traditional thermal-chemical analysis is used to calculate time-to-event and characterize the heat transfer and boundary conditions. A reaction mechanism based on Tarver and McGuire's work on RDX{sup 2} was adjusted to match the spherical one-dimensional time-to-explosion data. The predicted time-to-event using this reaction mechanism compares favorably with the validation tests. Coupled thermal-chemical-mechanical analysis is used to calculate the mechanical response of the confinement and the energetic material state prior to ignition. The predicted state of the material includes the temperature, stress-field, porosity, and extent of reaction. There is little experimental data for comparison to these calculations. The hoop strain in the confining steel tube gives an estimation of the radial stress in the explosive. The inferred pressure from the measured hoop strain and calculated radial stress agree qualitatively. However, validation of the mechanical response model and the chemical reaction mechanism requires more data. A post-ignition burn dynamics model was applied to calculate the confinement dynamics. The burn dynamics calculations suffer from a lack of characterization of the confinement for the flaw-dominated failure mode experienced in the tests. High-pressure burning rates are needed for more detailed post-ignition studies. Sub-models for chemistry, mechanical response and burn dynamics need to be validated against data from less complex experiments. The sub-models can then be used in integrated analysis for comparison with experimental data taken during integrated tests.