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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

LANL MPCL Measurement System Analysis: AMPTEC 630ES Igniter Tester / Ohmmeter

This comprehensive analysis aimed to evaluate the measurement capability of the AMPTEC 630ES Explosive Safety Igniter Tester, a critical tool for organizations engaged in the measurement of High Explosive components and related Electro-Explosive devices. With a history of notable calibration issues involving specific model numbers, the Metrology Program and Calibration Laboratory (MPCL) initiated an extensive Measurement System Analysis. The analysis's primary focus was to thoroughly quantify the various sources of measurement variability intrinsic to the calibration process. It centered on two pivotal aspects: repeatability (the variation observed when the same operator uses the same instrument) and reproducibility (the variation seen when different operators perform measurements). A secondary objective was to determine whether equipment usage and age had any impact on the instrument's performance.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

Numerical parameter optimizations of the Ignition and Growth model for a HMX plastic bonded explosive

We present here a novel method for optimizing parameters of the Ignition and Growth (I&G) reactive flow model for high explosives. The I&G model predicts the shock initiation response of explosives subjected to dynamic loading. However, calibrating the model is a time-consuming process because it has several parameters, typically requires multiple data sets, and there are no direct correlations between parameters and data. In this study, we couple a scalable optimization algorithm to simulations of shock initiation experiments in the multi-physics code ALE3D. We develop four I&G model parameter sets for the HMX (1,3,5,7-tetranitro-1,3,5,7-tetrazocane)-based explosive LX-07 [90 wt. % HMX, 10 wt. % Viton A] based on minimizing the difference between calculations and measurements at the embedded pressure gauges in 1D gun shock experiments. Our study shows that a cost function based on both shock time of arrival and pressure pulse shape demonstrates the best agreement with experimental data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Subsurface Spectroscopy of Thermal Degradation Inside an Inert Plastic Bonded Explosive (PBX) Simulant Using Feedback-Assisted Wavefront Shaping

We characterize the subsurface thermal degradation of an inert analog of high-explosive molecular crystals (Eu:Y(acac) 3 (DPEPO)) (EYAD) embedded inside of a plastic bonded explosive simulant using feedback-assisted wavefront shaping-based fluorescence and Raman spectroscopies. This technique utilizes wavefront shaping to focus pump light inside a heterogeneous material onto a target particle, which significantly improves its spectroscopic signature. We find that embedding the EYAD crystals in the heterogeneous polymer results in improved thermal stability, relative to bare crystal measurements, with the crystal remaining fluorescent to >612 K inside of the heterogeneous material, while the bare crystal’s fluorescence is fully quenched by 500 K. We hypothesize that this improvement is due to the polymer restricting the effects of EYAD melting, which occurs at 400 K and is the primary mechanism for spectroscopic changes in the temperature range explored.

Anderson, Benjamin R.↗
DOE OSTI2023

Linear shaped-charge jet optimization using machine learning methods

Linear shaped charges are used to focus energy into rapidly creating a deep linear incision. The general design of a shaped charge involves detonating a confined mass of high explosive (HE) with a metal-lined concave cavity on one side to produce a high velocity jet for the purpose of striking and penetrating a given material target. This jetting effect occurs due to the interaction of the detonation wave with the cavity geometry, which produces an unstable fluid phenomenon known as the Richtmyer–Meshkov instability and results in the rapid growth of a long narrow jet. We apply machine learning and optimization methods to hydrodynamics simulations of linear shaped charges to improve the simulated jet characteristics. The designs that we propose and investigate in this work generally involve modifying the behavior of the detonation waves prior to interaction with the liner material. These designs include the placement of multiple detonators and the use of metal inclusions within the HE. In conclusion, we are able to produce a linear shaped-charge design with a higher penetration depth than the baseline case that we consider and accomplish this using the same amount of or less HE.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Supplementary material for manuscript: Microcomputed X-ray Tomographic Imaging and Image Processing for Microstructural Characterization of Explosives

This data contains the supplemental information that will be accessible to the public from the paper “Microcomputed X-ray Tomographic Imaging and Image Processing for Microstructural Characterization of Explosives”. The data set contains the reconstructed slices for the 3D images of three different high explosives including: HMX-HTPB, PBX 9501 and PBX 9502. The data sets are folders of reconstructed tiffs showing the microstructure (crystals, binder, voids) and a segmented data set of each. Finally, a .gif movie is also present that plays the slices sequentially. The folders contain the voxel size information. See the manuscript for more details.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Molecular Theory of Hydration at Different Temperatures

Solvation plays an important role in diverse chemical processes ranging from reaction kinetics to molecular recognition, solubility, and phase separations. Despite a long-history of theoretical exploration, quantitative prediction of solvation remains a theoretical challenge without relying on the macroscopic properties of the solvent as an input. Here we present a molecular density functional theory that provides a self-consistent description of the solvation structure and thermodynamic properties of small organic molecules in liquid water at different temperatures. Based on the solute configuration and force-field parameters generated from first-principles calculations, the theoretical predictions are found in good agreement with experimental data for the hydration free energies of 197 organic molecules in a temperature range from 0 to 40 °C. In addition to calibration with experimental results, the theoretical predictions are compared with recent molecular dynamics simulations for the hydration of five highly explosive nitrotoluenes. Lastly, this work demonstrates the potential of the classical density functional theory for high-throughput prediction of solvation properties over a broad range of temperatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Ultrahigh vacuum and low-temperature cleaning of oxide surfaces using a low-concentration ozone beam

We present a novel method of delivering a low-concentration (<15%) ozone beam to an ultra-high vacuum environment for the purpose of cleaning and dosing experimental samples through oxidation processing. The system described is safe, low-cost, and practical and overcomes the limitations of ozone transport in the molecular flow environment of high or ultrahigh vacuum whilst circumventing the use of pure ozone gas which is potentially highly explosive. The effectiveness of this method in removing surface contamination is demonstrated through comparison of high-temperature annealing of a simple oxide (MgO) in ozone and oxygen environments as monitored using quadrupole mass spectroscopy and Auger electron spectroscopy. Additionally, we demonstrate the potential of ozone for obtaining clean complex oxide surfaces without the need for high-temperature annealing which may significantly alter surface structure.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A reactive flow model for the 3,3'-diamino-4,4'-azoxyfurazan based plastic bonded explosive (PBX 9701)

Here, this paper describes the calibration of the Arrhenius Wescott–Stewart–Davis (AWSD) reactive flow model for the recently developed high explosive PBX 9701, which consists of 97% 3,3'-diamino-4,4'-azoxyfurazan (DAAF) and 3% FK-800 binder by weight. DAAF-based explosive formulations have several desirable qualities as they are relatively insensitive to non-shock insults but have higher performance than triaminotrinitrobenzene based formulations. Equations of state for the explosive reactants and products are calibrated using a combination of existing and new experimental data and theoretical calculations. The AWSD rate law calibration utilizes both one-dimensional shock-to-detonation and multidimensional rate stick experiments to capture the shock initiation and propagating detonation regimes. Validation of the calibrated model is demonstrated through comparison with recent gas-gun experiments.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2025

Neutrino heating in 1D, 2D, and 3D core-collapse supernovae: characterizing the explosion of high-compactness stars

Massive stars can end their lives with a successful supernova explosion (leaving behind a neutron star or, more rarely, a black hole), or a failed explosion that leaves behind a black hole. The density structure of the pre-collapse progenitor star already encodes much of the information regarding the outcome and properties of the explosion. However, the complexity of the collapse and subsequent shock expansion phases prevents drawing a straightforward connection between the pre-collapse and post-explosion properties. In order to derive such a connection several explodability studies have been performed in recent years. However, different studies can predict different explosion outcomes. In this article, we show how compactness, which is related to the average density of the star’s core, has an important role in determining the efficiency of neutrino heating, and therefore the outcome of the explosion. Commonly, high-compactness progenitors are assumed to yield failed explosions, due to their large mass accretion rates, preventing the shock from expanding. We show by analysing ~150 2D flash and F ornax simulations and 20 3D F ornax simulations that this is not the case. Instead, due to the rapid increase of neutrino heating with compactness, high-compactness progenitors lead to successful shock revival. We also show that 1D+ simulations that include v-driven convection using a mixing-length theory approach correctly reproduce this trend. Finally, we compare 1D+ models, which we show can reproduce some aspects of multi-D simulations with reasonable accuracy, with other widely used 1D models in the literature.

neutrinos↗
DOE OSTI2013

Spall strength and ejecta production of gold under explosively driven shock wave compression

Explosively driven shock wave experiments were conducted to characterize the spall strength and ejecta production of high-purity cast gold samples. The samples were from 0.75 to 1.84 mm thick and 30 mm in diameter. Peak stresses up to 44 GPa in gold were generated using PBX-9501 high explosive. Sample free surface and ejecta velocities were recorded using photonic Doppler velocimetry techniques. Lithium niobate pins were used to quantify the time dependence of the ejecta density and the total ejected mass. An optical framing camera for time-resolved imaging and a single-image x-ray radiograph were used for additional characterization. Free surface velocities exhibited a range of spall strengths from 1.7 to 2.4 GPa (mean: 2.0 ±0.3 GPa). The pullback signals were faint, minimal ringing was observed in the velocity records, and the spall layer continued to decelerate after first pull back. These results suggest finite tensile strength was present for some time after the initial void formation. Ejecta were observed for every sample with a roughened free surface, and the ejecta density increased with increased surface roughness, which was different in every experiment. The total ejected mass is consistent with the missing mass model.

36 MATERIALS SCIENCE↗
NASA NTRS1980

A high-altitude barium radial injection experiment

A rocket launched from Poker Flat, Alaska, carried a new type of high-explosive barium shaped charge to 571 km, where detonation injected a thin disk of barium vapor with high velocity nearly perpendicular to the magnetic field. The TV images of the injection are spectacular, revealing three major regimes of expanding plasma which showed early instabilities in the neutral gas. The most unusual effect of the injection is a peculiar rayed barium-ion structure lying in the injection plane and centered on a 5 km 'black hole' surrounding the injection point. Preliminary electrostatic computer simulations show a similar rayed development.

Wescott, E. M.↗
DOE OSTI2014

Measurement of an Explosively Driven Hemispherical Shell Using 96 Points of Optical Velocimetry

We report the measurement of the surface motion of a hemispherical copper shell driven by high explosives. This measurement was made using three 32-channel multiplexed photonic Doppler velocimetry (PDV) systems, in combination with a novel compound optical probe. Clearly visible are detailed features of the motion of the shell over time, enhanced by spatial correlation. Significant non-normal motion is apparent, and challenges in measuring such a geometry are discussed.

multiplexed PDV, frequency-time measurements, Quic↗
DOE OSTI2019

X-ray Phase Contrast Imaging of the Impact of a Single HMX Particle in a Polymeric Matrix

A thorough understanding of the mechanisms by which high explosives (HEs) are shock initiated, especially at the particle scale, is still in demand. One approach to explain shock initiation phenomenon is hot spot theory, which suggests that distributed energy in energetic material is localized due to shock or impact to generate the high temperatures for ignition. Here, we focus on the impact response of a HE polycrystalline particle, specifically HMX, in a polymer matrix. This represents a simplified analog of a traditional polymer-bonded explosive (PBX) formulation. A light gas gun, together with high-speed x-ray phase contrast imaging (PCI), was used to study the impact response of a single particle of production-grade HMX in a Sylgard-184® matrix. The high-speed x-ray PCI allows for real-time visualization of HE particle behavior. The experiments revealed that, at impact velocities of ~ 200 m s -1 , the energetic particle was cracked and crushed. When the impact velocity was increased to 445 m s -1 , a significant volume expansion of the particle was observed. This volume expansion is considered to be the result of chemical reaction within the HE particle.

42 ENGINEERING↗
DOE OSTI2026

Extrusion‐Spheronization of Energetic Materials

The prevailing method to produce plastic‐bonded explosive (PBX) molding powder, or “prills”, is a complex, multiphase, and bespoke process that was developed by the high explosives (HEs) manufacturing industry several decades ago. This work demonstrates the utility of a simpler, widely‐used mechanical process—extrusion‐spheronization—to produce PBX prills. We begin by detailing precautions taken to enable safe remote operation of extrusion‐spheronization equipment with HE. We then perform a study investigating the effect of lacquer solvent composition on the particle packing, pressed density, and compressive strength properties of a 95 wt.% TATB/5 wt.% polymer binder formulation akin to PBX 9502. It was found that increased composition of low vapor pressure solvents caused prolonged retention of the solvent, resulting in tackier materials that would agglomerate and form larger prills. The larger prills also led to lower poured density and tapped density of HE prills and compressive strength of pressed PBX articles. The samples prepared with a 75% propyl acetate/25% butyl acetate lacquer solvent composition exhibited the highest compressive strength. However, it is believed that the prill packing and compressive strength properties are primarily driven by the prill size rather than the chemical composition of the lacquer itself. Extrusion‐spheronization remains a promising method to reliably and repeatably produce HE prills that is less sensitive to feedstock or process variation than traditional methods.

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

Raytracing

The raytracing (spectrally specific radiative transfer that does not couple back to the hydrodynamic evolution) code was developed because it helps improve our understanding of the physics of explosive events, validates computational physics codes, and estimates optical signals that are cheaper and safer than experiments involving high explosives. The raytracing code can also produce simulations that are useful to analyze what we can understand with sensors, such as determining what we can discriminate with sensors, like the presence of certain metals or the amount of soot. In addition, simulations can provide extra validations to computational physics to help us better understand discrepancies.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2022

The role of detonation condensates on the performance of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) detonation

Thermochemical models of detonation are widely used to estimate energy delivery, but they are based on the assumption that the carbon-rich condensates (soot) formed during detonation are very similar to bulk carbon. Here, we present an analytic equation of state (EOS) based on experimental detonation data for soot formed during the detonation of triaminotrinitrobenzene (TATB)-based high explosives. X-ray photoelectron spectra of several detonation soots are used to determine the elemental nitrogen abundance, with surprisingly high values for TATB. The proposed TATB soot EOS is highly compressible at low pressures and shares some features of glassy carbon, exhibiting graphite- and diamond-like behavior as a function of pressure. We demonstrate the influence of formed soot on detonation performance, including a lowering of the detonation velocity at typical charge densities, and a more compressive product Hugoniot at overdriven conditions. The soot model improves the accuracy of thermochemical calculations for TATB-based explosives across a wide range of states. Detonation velocity predictions for HMX (cyclotetramethylene-tetranitramine)-TATB blends with 80% or more TATB content, as well predictions for 1,3-diamino-2,4,6-trinitrobenzene (DATB) and 3-nitro-1,2,4-triazol-5-one (NTO), which share some features with TATB, are also improved.

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

Risk Assessment in a Chemical Laboratory Following an Explosive Incident Involving a Novel Diazonium Compound: Retrospective Analysis and Lessons Learned

Diazonium compounds are synthetically useful in the production of dyes and textiles, however they are highly explosive under dry conditions. Explosion prevention becomes more difficult when new diazonium compounds are synthesized, because while some syntheses include a counterion to increase their stability, this is not always a reliable method to prevent an explosive incident. Due to the uncertainty surrounding the explosiveness of different diazonium compounds, it is important to understand how to safely clean up after an incident and how to determine when it is safe to return a laboratory to typical operational use, particularly when the incident involves a novel compound where a standard does not exist for instrument calibration. Here, an explosive event is discussed involving the synthesis of 4-bromo-benzenediazonium-2-carboxylate. Following the explosive incident and 3-step cleanup, which involved a precautionary neutralization step, samples were collected from the fume hood where the incident occurred. Because the incident involved an unstable, novel compound that is not commercially available and was deemed unsafe to resynthesize for instrument calibration, we assessed the risk of further explosion by analyzing for the stable decomposition products. Mass spectrometry analysis confirmed that the residue in the fume hood contained 5-bromosalicylic acid, a decomposition product of 4-bromo-benzenediazonium-2-carboxylate. Samples were taken from multiple points in the fume hood and analyzed to estimate the spatial distribution of the decomposition product. Based on this analysis, we inferred that the primary decomposition product was far more abundant than residual energetic, indicating the energetic had been consumed or neutralized to a trace quantity where the risk of further explosion was low. Furthermore, the steps presented here─specifically, initial neutralization and then analyzing the spatial distribution of expected decomposition products to assess risk when a novel explosive material is detonated in a confined space─were our approach to assess further risk following an explosion due to a novel diazonium compound without the need for any further handling or resynthesis of the energetic. Here, we present our approach and critically analyze these steps by discussing retrospective lessons learned and alternative analytical approaches.

Computer simulations↗