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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

The Ignition and Growth Concept: The πSURF Perspective. Preliminary document

The ignition and growth reactive burn models used in the most generally-used hydrocodes (Pagosa, CTH, ALE3D, etc.) originate from the same basic idea: reactive burn results from distinct contributions from ignition of hot-spots and growth of reaction (deflagration) from the hot spots. We focus here on reviewing the development of the scaling relationship from the SURF perspective, and we emphasize that we are reviewing the ideas of Menikoff and Shaw from our own perspective in the context of developing the pSURF model.

42 ENGINEERING↗
DOE OSTI2020

An Eulerian multimaterial framework for simulating high-explosive aquarium tests

Aquarium tests of cylindrical high-explosive charges provide optical data of the detonation front velocity and shape, propagation of the shock wave in the surrounding water, and expansion rates of the detonation products behind the front. Data from aquarium experiments is often used for calibration of reactive burn models based on phenomenological equations of state (EOS) and reaction rate laws. This paper presents a multimaterial numerical modeling framework to solve the 2D axisymmetric reactive Euler equations for high-explosive aquarium tests, in particular for ammonium nitrate - fuel oil (ANFO) explosives. An extension of the Ghost Fluid Method (GFM) is used to handle the dynamic material interfaces for the ANFO explosion products, the charge-confining material (polymethyl methacrylate PMMA), and the surrounding water. This study analyzes the sensitivity of calculations (both computational efficiency and numerical accuracy) to different algorithms for the material interface models including the original GFM versus Riemann solver-based strategies. A novel method for defining the left and right states in the interfacial Riemann problem eliminates the need for sorting or nodal interpolation during the projection along the material interface. Numerical tests indicate that populating the interface node values using the Riemann solution mitigate the overheating error observed in steady-state calculations. Solution convergence and computational efficiency are explored as a function of the spatial and temporal order of the schemes. Results from the computational model with analytical equations of state and fitted reaction rate parameters show very good quantitative agreement with experimentally observed detonation front velocity, reaction products expansion, and shock wave propagation in the surrounding water for a cylindrical ANFO charge encased in PMMA. Finally, the proposed modeling framework, in conjunction with experimental tests, provides a reliable tool to assess equations of state and reaction rate expressions for reactive burn models of confined high explosives.

42 ENGINEERING↗
DOE OSTI2024

Verification and validation of detonation-shock-dynamics relations for explosives described by general equation of state and chemical reaction models

Detonation shock dynamics is a powerful method to model the behaviour of High Explosives (HE). However in order to use this method, the underlying relationship between the local radius of curvature and the detonation speed must be known. Previous work has developed methods to calculate this effect using simple, single-step Arrhenius and polytropic gas, models for the chemical reaction and the equation of state, respectively. In recent years, more complex models for both reaction rates and equations of state have been developed which show better agreement with experimental data than these simple models, especially when considering condensed phase explosives.. This work presents the governing equations for solving these problems in a way that is generalised to use arbitrary equations of state as well as reaction models which may have more than a single step and multiple product species. This implementation is verified against exact solutions, demonstrating that the equations were implemented properly. The verified algorithm is then validated against experimental data and high fidelity simulations, showing that it is able to make accurate predictions in a regime where the underlying assumptions of the governing equations are valid. Importantly, this approach has many applications: from creating equivalent detonation shock dynamics models for existing reactive burn calibrations for HE; to developing new functional forms and calibrations of reactive burn models for condensed phase high explosives.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Shock initiation of the HMX-based explosive PBX 9012: Experiments, uncertainty analysis, and unreacted equation-of-state

In this study, shock initiation experiments have been carried out on the polymer-bonded explosive PBX 9012 [nominally 90% octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazine (HMX), 10% vinylidene–hexafluoropropylene copolymer (Viton A) by weight] in order to provide calibration data for the explosive’s unreacted equation-of-state (EOS) and shock-to-detonation transition for reactive burn rate calibration. The input pressures covered the range of 1.86–4.43 GPa. This provided run-to-detonation depths ranging from > 22.3 mm for the lowest pressure shot to 4.91 mm at the highest pressure. The relative shock sensitivity of PBX 9012 is compared to other HMX-explosives in terms of the Pop-plot, showing that the studied explosive is more sensitive than other similar HMX-based counterparts (with notable exceptions). The uncertainty in the shock velocity determinations from the shock tracker measurements are also investigated, yielding new uncertainty measures in the generated Hugoniot data and run-to-detonation coordinates. Finally, the unreacted equation-of-state is determined using a linear U s – u p Mie–Grüneisen relation and the Davis reactants EOS analytical form, the latter being more suited for reactive burn modeling.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Experimental and modelling study of the effect of pre-shock duration on the double shock initiation response of PBX 9501

Here, a series of double shock initiation gas-gun experiments have been performed on PBX 9501 (95% weight HMX, 5% binder) in which the input conditions were nominally the same, but the time delay between the two shocks was explicitly varied. The impact conditions generated pre- and main shock pressures of 2.9 and 6.2 GPa respectively, with time delays between them ranging from 0.56 to 1.10 µs. This resulted in different levels of reaction behind the pre-shock prior to the main shock traversing the explosive samples, with the growth of reaction monitored using embedded particle velocity and shock tracker gauges. Simulated results from three reactive burn models (CREST, AWSD and SURF) are compared with the measured data to assess their ability to predict the response of PBX 9501 under such double shock conditions. The described experiments add to the body of evidence to help improve our understanding of the double shock initiation response of explosives, and the data obtained provide an excellent test for reactive burn models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

PBX9502 PAGOSA/SURF Calibration for 100 µm Grid Size

There are two methods to calibrate the SURF reactive burn explosives model.The first is to calibrate using Pop plot data. Because there are only two main parameters in SURF, called A and B, there is just enough flexibility in SURF to determine the Pop plot line, i.e., equivalent information to a slope and a single point on the line. However, due to the linearity of the Pop plot being based on logarithmic scales, a slight deviation off the Pop plot (though the fit to the Pop plot might be very good overall) can make considerable difference when comparing with the velocity profile data. The second calibration method thusly focuses strongly on matching entire velocity profile data. This is to say that individual velocity profiles extracted from embedded gages (in the case of PBX 9502, we refer to R. Gustavsen’s experimental data) may fit poorly, while the overall fit to the Pop plot may seem reasonable. In addition, there are other factors that could produce slightly different calibrations for SURF, while leading to an overall acceptable fit to data. One of those may be the physics code used and here we use Pagosa. Another is mesh size dependence. A third one stems from fitting a reactive burn model being done in conjunction with an equation of state (EOS) of the reactants and one for the products – different EOS can result in slightly different parameterizations. Finally, there are several secondary material parameters in SURF, and the overall fit will depend on the entire parameterization. The goal of this report is to clarify some of our previously made statements about SURF calibration, as well as to redo a systematic calibration using 100 µm grid resolution.

42 ENGINEERING↗
DOE OSTI2020

Effects of Void Morphology on Detonation Initiation of PBX 9502

Accurate predictive modeling of high explosives in abnormal conditions, such as a fire, is critical to personnel safety. Modeling depends heavily on precise physical characterization of the high explosive in question. The aim of this thesis was to characterize the detonation response to shock and the microstructure at high-temperature (250°C) of PBX 9502 and use these data to attempt to model these results using a new reactive burn model called SURF (Scaled Uniform Reactive Front). In order to characterize the shock response of PBX 9502 at high-temperature a 1D gas gun experiment was designed and executed that provided shock to detonation transition data. These data were then used to do a preliminary calibration of SURF for PBX 9502 at 250°C. Small-angle neutron scattering (SANS) was employed to characterize the void morphology of PBX 9502 as a function of temperature. This was done in order to feed a modified version of SURF called physically informed - SURF (π-SURF) which uses the void size and quantity distribution data as measured by SANS along with the deflagration and detonation characteristics of a high explosive to inform the SURF model. The π-SURF model was then used to model both ambient and high-temperature PBX 9502 SDT response and the results were compared to the physically measured results. It was found that π-SURF works in ambient cases. At high-temperature, however, it was determined that not enough information is known about hot spot formation to use the π-SURF model for high-temperature scenarios.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2021

Experimental observations of shock-wave-induced bubble collapse and hot-spot formation in nitromethane liquid explosive

We studied the collapse of individual helium gas bubbles in the homogeneous explosive nitromethane (NM) to investigate effects of hot-spot formation on the detonation process. A bubble was injected into a NM sample, and a shock wave from an explosive detonator compressed the bubble, creating a localized hot spot. We measured shock and detonation wave speeds with optical velocimetry, and we used a high-speed camera to image the shock propagation and the pre- and post-bubble collapse processes. An infrared camera image showed the residual radiance temperature distribution after the bubble collapse, and an optical fiber pyrometer measured the time-resolved thermal radiance. We measured the optical spectra of light emitted from detonating NM without a bubble and from a collapsing bubble in shocked, undetonated NM. We estimated temperatures of the detonation fronts and of the hot spots formed by bubble collapse. To study the incipient detonation process, we performed all bubble collapse experiments at pressures below the threshold for creating a sustained detonation. Where the bubble collapsed, we observed an opaque, thermally emissive region believed to be chemical reaction products. Chemical reactions in NM can be produced with lower shock pressures (~1 GPa) when a helium bubble is present than without a bubble (~10 GPa). We used hydrodynamic modeling to predict shock wave propagation, extent of chemical reaction, and subsequent temperature rise from the collapsing bubble. Simulations using a temperature-dependent Arrhenius burn model gave much better results than reactive burn models that depend only on pressure and density.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Numerical Considerations in the Modeling of a High Explosive Cylinder Experiment Using an ALE Continuum Mechanics Code

A series of experiments involving the detonation of PBX 9501 encased in a copper cylinder are modeled with the objective of evaluating a proposed set of phenomenological parameters for the Wescott–Stewart–Davis reactive burn model. The numerical analysis is conducted using the Los Alamos continuum mechanics code FLAG. Numerical considerations pertaining to various aspects of modeling the experiments using FLAG are discussed. It is shown that use of the proposed set of phenomenological parameters results in predictions of free-surface velocity that match empirically measured velocities reasonably well.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Effect of a collapsing gas bubble on the shock-to-detonation transition in liquid nitromethane

We studied the shock-induced collapse of butane gas bubbles in the homogeneous explosive nitromethane (NM) to investigate the effects of hot spot formation on the detonation process. A butane bubble was injected into a sample of NM, and a shock wave from a flat plate impactor compressed the bubble, creating a localized hot spot. We measured shock and detonation wave speeds with optical velocimetry, and we used a high-speed camera to image the shock propagation and bubble collapse processes. A multiband optical fiber pyrometer measured the time-resolved thermal radiance, and we used the results and emissivity values extracted from spectral fits to estimate temperatures. We measured the characteristics of the shock-to-detonation transition in NM with and without a bubble. All experiments were performed at shock pressures near 8 GPa, where neat NM can detonate. A single bubble in this system was shown to sensitize NM, leading to a reduced run-to-detonation time. We used hydrodynamic modeling to predict shock wave propagation, the extent of chemical reaction, and subsequent temperature rise from the collapsing bubble. We used a temperature-dependent Arrhenius burn model for simulations, and it yielded much better results than reactive burn models that depend only on pressure and density.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Numerical simulations of the Los Alamos gapstick experiment

The gapstick is a high explosive (HE) sensitivity test recently developed at Los Alamos. The experiment design was motivated by the traditional gap test and consists of a series of HE and inert pellets in a rate stick configuration. The inert pellets are made increasingly longer so that eventually the attenuated shock is unable to initiate the next HE pellet. While the gapstick is a mechanically simple experiment it poses several challenges for numerical simulation. In particular, accurately modeling the HE initiation and detonation phenomena requires a reactive burn model with sufficient mesh resolution to capture the reaction scales. In this work, the Scaled Uniform Reactive Front (SURF) and Arrhenius Wescott-Stewart-Davis (AWSD) burn models are used for simulations of a PBX 9501 (95 wt% HMX, 5% binder) gapstick. Furthermore, the material model for the inert pellet material, Polyvinylidene Fluoride (PVDF), has a direct influence on the shock propagation and a new equation of state (EOS) calibration for PVDF is developed using available Hugoniot data. Despite some challenges, the simulations are able to reasonably predict shock transit velocities and detonation failure in the gapstick.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Simulating PBX 9501 Gap-stick Experiment

It has previously been shown that the rate parameters of the SURF reactive burn model can be adjusted to fit the gap-stick data for PBX 9501 [Johnson et al., 2018, fig 4]. A recent recalibration of the SURF model for PBX 9501 (lot 730-010 at ρ = 1.837 g/cc 3 ) used different reactants and products EOS and an updated fitting form for the burn rate [Menikoff, 2021]. The new calibration fit gap-stick data [Hill et al., 2021] together with data from SDT experiments and curvature effect data. Here the results of gap-stick simulations using the xRage code are shown. They provide insight into the reactive flow in the gap-stick experiment.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2023

Synopsis of SURF and SURFplus

Developed by Menikoff and Shaw, the SURF reactive burn model builds on the Ignition and Growth concept by incorporating the lead shock pressure directly into the volumetric hot-spot burn rate. The plus-extension augments the model with a late time surface burn rate due to carbon clustering. Together, SURF and SURFplus allow for robust modeling of both conventional and insensitive high explosives. Practically, the SURF burn models require shock detection and the advection of the lead shock pressure as an additional material field. Calibrated parameters for given equations of state and thermodynamic closure are dependent on initial temperature and density. An implementation in Python is given.

42 ENGINEERING↗
DOE OSTI2025

Uncertainty Quantification Enabled by Automatic Differentiation for Hydrodynamic Simulation of Shock‐to‐Detonation Transition in High Explosives

Quantifying the effects of uncertainty in a reactive burn model on the run-to-detonation time in high explosives (HEs) provides a robust methodology for assessing the probability of an HE failing the IHE qualification standard. Moreover, uncertainty quantification helps evaluate whether the model calibration accurately represents data outside the calibration set. This study uses a specialized hydrodynamic simulation code for modeling detonation to determine the run-to-detonation time of the HE PBX 9502 for various impact velocities. To quickly approximate uncertainties in the model, a surrogate was constructed using a Taylor series expansion centered at the mean of the input parameters. To obtain the sensitivities required for constructing the Taylor series, HYP-percomplex Automatic Differentiation (HYPAD) was implemented. HYPAD is a methodology for infusing existing codes with automatic differentiation capabilities by augmenting variables with one or more imaginary units to compute step-size independent partial derivatives. These derivatives are accurate to machine precision with respect to the implemented numerical algorithm, meaning their accuracy reflects that of the underlying method (e.g., integration or discretization schemes). Using reduced order modeling techniques, the mean and standard deviation of the run-to-detonation time of a shock within PBX 9502 were computed for a number of initial impact velocities. A weighted least squares regression was then performed to obtain a best fit curve and prediction interval for the computed statistics. Historical data points from explosively driven wedge tests were utilized to validate the prediction interval, ensuring its reliability in predicting future outcomes. With this prediction interval and a known safety constraint curve, the most probable point of failure and the probability of failure for the HE PBX 9502 were determined.

97 MATHEMATICS AND COMPUTING↗