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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Modeling detonation with CartaBlanca simulations

The accurate modeling of high explosive (HE) detonation and the con- sequent large solid deformation, failure, plastic flow, porosity growth, and shock wave propagation is important because simulations can capture spatial and temporal features that experimental diagnostics cannot capture. However, the simulation of the explosive event poses challenges to a computational scientist. These include the accurate modeling of ductile damage, crack formation, plastic deformation, as well as physical and nu- merical instabilities. The material response can be history-dependent and subject to large material deformation. Our research simulates the impact of a high explosive (Detasheet) onto a tantulum metal plate. We performed the simulations using CartaBlanca at different mesh resolutions. We decided the study would be impactful if we perform the simulations with the Material Point Method. Differences were observed at the different mesh resolutions in velocity and nodal stress magnitude, so increased mesh resolutions may be required. In addition, the Discontinuous Galerkin method would be needed to account for the large gas expansion.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Simultaneous inference of equation of state parameters and unknown data errors with uncertainty quantification via hierarchical Bayesian posterior maximization

Equations of state (EOSs) are a key component in running hydrodynamic simulations as they relate the thermodynamic states for the material. The Davis reactants EOS is commonly used for modeling high explosives (HEs), and the EOS model parameters are calibrated using material specific data. The calibrations are often performed with uncertainty quantification via Bayesian inference to account for uncertainty in the data and generate ensembles of likely parameters. However, there are relatively few HE data sets to use for calibration and many are historical and lack error information. In this work, we simultaneously calibrate the Davis reactants EOS model parameters and unknown data error terms for the high explosive PBX 9501. To quantify the uncertainty in the models and the data, we use a Bayesian framework for the calibration and compute the hierarchical Bayesian posterior distribution with both a posteriori maximization approach and Markov Chain Monte Carlo. In general, we find that, given our assumptions, the two approaches result in similar calibrated parameters, posterior covariance matrices, and insights about the parameters but that the posterior maximization requires far less computational resources.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1994

Ways to Increase Launch Velocities of 2-Stage Gas Guns

The amount of space debris is rapidly increasing and the debris is distributed over a wide variety of orbits. Satellites, manned space vehicles and space stations will have to pay increasing attention to the dangers of impacts with space debris. Various armoring techniques (i.e., double or triple layer armor) will have to tested extensively to determine the most effective armor per unit weight. Intersecting near-earth orbits can lead to impact velocities up to 15 km/sec. Conventional two-stage light gas guns can launch intact, controlled-shape projectiles with a density of 1.2 gm/cc and length- to-diameter ratios of 0.5-1.0 at velocities up to 8-9 km/sec. Higher velocities (10-11 km/sec) can be obtained' for very light projectiles. The higher launch velocities tend to be very severe on the high pressure coupling and barrel of the gun and lead to short component lifetimes. Clearly, the ability to raise the launch velocity of a gun (for reasonably massive projectile shapes) from 8-9 km/sec to 11-13 km/sec (or higher), without reduction of component lifetimes, would have significant benefits. This would allow much better simulation of the higher velocity debris impacts as well as better simulation of high speed re-entry into planetary atmospheres. Several techniques for increasing the launcher muzzle velocity above 8-9 km/sec have been studied using CFD simulations and appear to offer the potential for significant gains. The first technique is to use multiple compressions, instead of a single compression, in the pump tube of the light gas gun. In a sense, this is a kind of pre-heating of the gas in the pump tube; other types of pre-heating have yielded disappointing results in the past. The dynamics of the multiple compression pump tube is very different, however, from the earlier techniques, where the pump tube was typically heated ohmically before the gun 2 cycle was started. In this paper, we present CFD calculations that show that significant increases in muzzle velocity can be obtained with multiple compressions in the pump tube. With a conventional two-stage gun, an important limitation to obtaining higher velocities is friction and heat transfer to the barrel, which typically has a length- to- diameter ratio of 200-400. These viscous losses greatly reduce the effectiveness of the regions of the barrel far removed from the second stage breech. We have studied computationally the effect of adding an additional breech (or breeches) along the barrel to reduce these viscous losses. Velocity increases from 6.5 to 7.2 km/sec have been obtained using the main breech and one additional breech. In these results, both breeches were operated with hydrogen, heated electrothermally. We have also studied a gun geometry where the main breech is operated in the conventional manner, using piston compression. The additional breech is operated either with electrothermal heating or heating by using a high explosive charge in a novel geometry. The latter option provides very effective compression, heating and acceleration of the hydrogen working gas and is fully reusable. Calculations are presented which show that very substantial increases in muzzle velocity can be obtained this way, without overstressing the projectile or the 'gun. The third technique studied is to add a section of ram accelerator tube after the barrel to further accelerate the projectile. The ram accelerator used here is not the conventional premixed gas ram accelerator, but a new technique using high explosive as the energy source and pure hydrogen as the working gas in a geometry which can be made fully reusable. Preliminary results with this new rain accelerator geometry were presented and showed that stable ram accelerator drive can be established. Herein, detailed calculations axe presented which show that substantial velocity increases can be obtained using this ram accelerator technique in tandem with a conventional light gas gun.

Bogdanoff, David W.↗
NASA NTRS1980

Numerical calculation of shock-induced initiation of detonations

Results of numerical calculations of the impact of steel cylinders and spheres on the plastic bonded high explosive PBX 9501 are described. The calculations were carried out by a reactive, multicomponent, two dimensional, Eulerian hydrodynamic computer code, 2DE. The 2DE computer code is a finite difference code that uses the donor acceptor cell method to compute mixed cell fluxes. The parameters in the Forest Fire burn model are developed from experiments where the induced shock approximates a plane wave and are applied, in this case, to a situation where the induced shock is a divergent wave with curvature that depends on the size and shape of the projectile. The calculated results are compared with results from experiments involving instrumented mock and live high explosives, with projectiles of varying size, shapes, and velocities.

Cort, G. E.↗
DOE OSTI2026

Image Distinguishability Analysis Testing Through Principal Components and Its Application to Hot Spot Scale Invariance

Hot spots are spatial regions of intense energy localization that govern initiation of secondary high explosives. Studies that characterize or compare simulated hot spots are frequently either qualitatively descriptive or resort to quantitative distribution functions that neglect stochastic variations and spatial correlations—effects that are also neglected in common comparison tests like the Kolmogorov–Smirnov test. To this end, we develop an image distinguishability analysis (IDA) test based on principal component (PC) analysis that makes pixel-by-pixel comparisons between small, for example, O(<10), image data sets. The IDA test makes comparisons through a generalized distance metric in the PC space and a test statistic that is derived to calculate mathematical equation-values. Here, we derive a statistical distribution and criticality criterion to determine whether images are distinguishable from established baselines. We apply the IDA test on images generated from molecular dynamics simulations of hot spots from pore collapse in TATB to assess scale invariance in the complex patterns of hot spots that form in a representative high explosive crystal. The IDA test shows that TATB hot spot spatial temperature fields and their derived temperature histograms exhibit scale-invariant features over specific intervals of shock orientation, strength, and initial pore diameter. However, the IDA test also shows that qualitatively different conclusions regarding invariance can be reached depending on whether the hot spot is treated as a spatially correlated field as opposed to a distribution function that lacks spatial information.

organic↗
DOE OSTI2026

Thermal Decomposition Kinetics of 4,6‐Diamino‐5,7‐dinitro‐benzo‐furazan

This experimental study investigated the thermal decomposition kinetics of 4,6-diamino-5,7-dinitro-benzo-furazan (referred to as F1 hereafter)—an important decomposition product of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB—a prototypical insensitive high explosive). Simultaneous differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), and mass spectrometry (MS) measurements were employed to determine the decomposition kinetics of F1 and to track the evolution of product gases. The DSC profiles were measured at 10 different heating rates between 0.025°C/min and 10°C/min. The measured exotherms were influenced by F1 melting at heating rates above 0.25°C/min, and corresponding changes in decomposition enthalpy and TGA mass-loss-rate profiles indicated a transition from solid-to-gas decomposition to an increasing contribution from liquid-to-gas decomposition. Analysis of low-heating-rate DSC data between 0.025°C/min and 0.17°C/min with the extended Prout–Tompkins model yielded an activation energy of 305 kJ/mol for solid-to-gas F1 decomposition, higher than previous values inferred from TATB decomposition models involving F1. This study provides the first direct experimental determination of the energy barrier for F1 decomposition. MS measurements showed that the major gaseous products matched species previously reported for TATB decomposition (e.g., CO 2 , HCN, C 2 N 2 , etc.), with water identified as the dominant product. Furthermore, these results provide important experimental constraints for improving chemical kinetics models of TATB decomposition and for predicting the reactivity, stability, and safety of TATB-based high explosives under long-term aging conditions and abnormal thermal environments.

4,6-Diamino-5,7-dinitro-benzo-furazan↗
DOE OSTI2025

Contrasting Chemical Kinetic Parameters for Near In‐Service‐Temperature Aging and High‐Temperature Thermal Decomposition of Triaminotrinitrobenzene Formulations

Triaminotrinitrobenzene-based high explosives such as LX-17 offer high energy density and exceptional safety, yet their long-term aging behavior at low temperatures remains poorly understood. In this study, several legacy and new production lots of LX-17 were subjected to accelerated aging experiments below 100°C, during which the formation rate of the initial degradation product, monofurazan (F1), was monitored. Kinetic analysis was performed using a sample-age-aware computational approach, yielding activation energy estimates of 82–91 kJ mol −1 for the low-temperature initiation step—markedly lower than the ∼200 kJ mol −1 associated with high-temperature thermal decomposition. Extrapolation from established cookoff models supports the conclusion that the dominant degradation mechanism at low temperatures differs from that at high temperatures. In conclusion, our results provide a unified kinetic framework that bridges the gap between in-service conditions and high-temperature damage.

Chemistry - Chemical explosives↗
NASA NTRS1977

Protection against explosive blasts

Simple, hinged cover plate is effective against high explosive blasts. Blast energy under cover is transformed into kinetic energy of plate.

Bement, L. J.↗
DOE OSTI2024

Segmentation of RDX and TNT in X‐Ray Computed Tomography Reconstructions of Melt‐Cast Explosives

ABSTRACT Three‐dimensional mesoscale characterization of heterogeneous melt‐cast high explosives is challenging because of the difficulty differentiating binder from explosive crystals: two functionally different materials which are typically similar in density by design. Here, we report an algorithm which can differentiate hexahydro‐1,3,5‐trinitro‐1,3,5‐triazine (RDX) from 2,4,6‐trinitrotoluene (TNT) in x‐ray computed tomography (CT) volumes with tens of microns resolution. This method allows us to quantify RDX/TNT content, porosity, and RDX domain size. We calibrated the segmentation algorithm using simulated x‐ray CT volumes containing object models of RDX crystals within a TNT matrix. We then segmented and analyzed CT data for Composition B (Comp B), a 60/40 RDX/TNT mixture, and Cyclotol, a 75/25 RDX/TNT mixture. We examined melt‐cast samples fabricated with 100% theoretical maximum density (TMD) and 85% TMD. For the 100% TMD Comp B and Cyclotol samples, the RDX content values calculated by segmentation were 3% and 9% lower, respectively, than the values measured by high‐performance liquid chromatography on material from the same synthesis lots. This result is consistent with the expected underreporting of RDX content resulting from x‐ray CT resolution limits on RDX particles with diameters smaller than 25 µm. The 85% TMD samples were less accurately segmented with our algorithm due to the confounding presence of voids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Experimental and theoretical investigation into the high pressure deflagration products of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105)

Diamond anvil cell (DAC) laser ignition experiments and reactive ab initio molecular dynamics (AIMD) simulations were performed on the high explosive (HE) LLM-105 to investigate its high pressure (HP) deflagration chemistry. Raman and optical spectroscopy measurements reveal LLM-105 reacts into an opaque carbonaceous product at 4–25 GPa. At pressures >~ 27 GPa, the reaction product consists of an amorphous optically transparent solid and nitrogen (N 2 ) in the solid phase. While not a one-to-one comparison due to the small time and length scales, the HP AIMD simulations show that some of the product is molecular N 2 , in qualitative agreement with experiment, while above 20 GPa most of the product consists of large amorphous C x H y N z O k clusters. Clustering is enhanced with pressure and reduces with temperature. In the experiments with initial sample pressure >~ 25 GPa, the pressure within the DAC decreases with minimal change in DAC cavity area. At initial sample pressures of 43.9 GPa, when quenched to 0 K, simulations predict a product experiencing a lower pressure consistent with the experimental measurement at lower load pressures. In conclusion, the results are important for understanding the HP deflagration chemistry of LLM-105.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Explosive Soot Challenge (Final Report)

This project assembled a broad ensemble of modeling and experimentation tools to study the morphological and optical properties of detonation soots in explosive fireballs. A gram-scale hemispherical high explosive was studied in a low-pressure controlled environment using in-situ experimentation with diffusely illuminated visible absorption spectroscopy, particle sizing through light scattering techniques, and post-test collections with subsequent morphological analysis. Hydrocode modeling was performed to replicate the detonation flow observations, and subsequent aerosol kinetics models provided particle size distributions and extinction coefficients from the hydrocode results. Experimentally observed soot morphologies agreed with expectation from the literature - a bimodal distribution was found, brought upon by the particles growing to a size where their inertia and fluid wakes are non-negligible. The aerosol kinetics model did not replicate the observed bimodal size distribution for lack of a coagulation kernel to represent the behavior. To recover particulate optical properties, a spectrally resolved absorption spectroscopy method termed Spectral diffuse back-illuminated extinction imaging (SBI-EI) was developed and implemented on two explosive types. Inverting the absorption spectra using a Kramers-Kronig consistent method yielded the complex index of refraction for the soots produced by the explosives. This method resulted in an unrealistic index of refraction for one of the two explosives, and this is suspected to be due to the model neglecting scattering brought upon by the large particle sizes observed. In addition to the core work, three additional studies were performed in parallel. These investigated the impact of scattering on diffuse absorption spectroscopy, studied how soots oxidate and sublimate in a well-controlled shock tube, and laid the theoretical groundwork for a new collision kernel to replicate the bimodal size distribution from the observations. Summaries of these efforts are included at the end of this report.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2026

Extracting the Breakout Distance from the ECOT Trajectories: Gaussian Process Regression Approach

Enhanced Corner Turning (ECOT) experiments provide an important metric of performance of high explosive (HE) formulations. The breakout distance is a single scalar value that characterizes the corner turning efficiency of an HE. Extracting the breakout distance from the raw ECOT results, whether experimental or simulated, is a conceptually straightforward procedure which, however, is non-unique, especially in the presence of noise. More specifically, this procedure involves numerical smoothing and selecting particular values for parameters of this smoothing introduces human bias. In this work, we propose to use the Gaussian process regression to analyze ECOT results. This analysis involves the effective smoothing of the data, thus allowing for accurate extraction of the breakout distance. Most importantly, the parameters of this smoothing can be inferred from the ECOT data itself, rendering the approach effectively parameter-free and thus diminishing the human bias. An additional benefit of the Gaussian process regression, being a statistical inference method, is that not just the value of the breakout distance, but also its confidence interval can be extracted from the data. This report introduces the Gaussian process regression, as applied to ECOT, and demonstrates its usefulness by extracting the breakout distances for a selection of experimental and simulated data.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
NASA NTRS2014

Solid Rocket Launch Vehicle Explosion Environments

Empirical explosion data from full scale solid rocket launch vehicle accidents and tests were collected from all available literature from the 1950s to the present. In general data included peak blast overpressure, blast impulse, fragment size, fragment speed, and fragment dispersion. Most propellants were 1.1 explosives but a few were 1.3. Oftentimes the data from a single accident was disjointed and/or missing key aspects. Despite this fact, once the data as a whole was digitized, categorized, and plotted clear trends appeared. Particular emphasis was placed on tests or accidents that would be applicable to scenarios from which a crew might need to escape. Therefore, such tests where a large quantity of high explosive was used to initiate the solid rocket explosion were differentiated. Also, high speed ground impacts or tests used to simulate such were also culled. It was found that the explosions from all accidents and applicable tests could be described using only the pressurized gas energy stored in the chamber at the time of failure. Additionally, fragmentation trends were produced. Only one accident mentioned the elusive "small" propellant fragments, but upon further analysis it was found that these were most likely produced as secondary fragments when larger primary fragments impacted the ground. Finally, a brief discussion of how this data is used in a new launch vehicle explosion model for improving crew/payload survival is presented.

Richardson, E. H.↗
NASA NTRS1993

The 1908 Tunguska explosion - Atmospheric disruption of a stony asteroid

The explosion over Tunguska, Central Siberia, in 1908 released 10 to 20 megatons (high explosive equivalent) of energy at an altitude of about 10 km. This event represents a typical fate for stony asteroids tens of meters in radius entering the Earth's atmosphere at common hypersonic velocities. Comets and carbonaceous asteroids of the appropriate energy disrupt too high, whereas typical iron objects reach and crater the terrestrial surface.

Chyba, Christofer F.↗
NASA NTRS1973

Quantitative understanding of explosive stimulus transfer

The mechanisms of detonation transfer across hermetically sealed interfaces created by necessary interruptions in high explosive trains, such as at detonators to explosive columns, field joints in explosive columns, and components of munitions fuse trains are demostrated. Reliability of detonation transfer is limited by minimizing explosive quantities, the use of intensitive explosives for safety, and requirements to propagate across gaps and angles dictated by installation and production restraints. The major detonation transfer variables studied were: explosive quanity, sensitivity, and thickness, and the separation distances between donor and acceptor explosives.

Schimmel, M. L.↗