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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Tracer Gas Model Development and Verification in PFLOTRAN

Tracer gases, whether they are chemical or isotopic in nature, are useful tools in examining the flow and transport of gaseous or volatile species in the underground. One application is using detection of short-lived argon and xenon radionuclides to monitor for underground nuclear explosions. However, even chemically inert species, such as the noble gases, have bene observed to exhibit non-conservative behavior when flowing through porous media containing certain materials, such as zeolites, due to gas adsorption processes. This report details the model developed, implemented, and tested in the open source and massively parallel subsurface flow and transport simulator PFLOTRAN for future use in modeling the transport of adsorbing tracer gases.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2025

In situ multi-tier auto-ignition detection applied to dual-fuel combustion simulations

Here we use an anomaly detection methodology that is centered on analyzing fourth-order joint moments (co-kurtosis), particularly focusing on its application in auto-ignition of combustion problems with large numbers of species. Unsupervised anomaly detection is challenging to generalize across problem types and domains. A recent technique, centered on analyzing information in the fourth-order joint moment co-kurtosis, has shown promise, especially for high-dimensional scientific data. In this work we present developments to the co-kurtosis based anomaly detection method needed to make it effective and scalable for large-scale distributed scientific data, such as those generated by massively parallel simulations. An in situ co-kurtosis algorithm is employed as the anomaly detection method for identifying ignition kernels in simulations of turbulent combustion. Here, we extend an existing methodology which identifies regions of the domain where anomalies are present, and add another tier of anomaly detection where the individual samples contributing to the anomaly are identified. We apply this algorithm on-the-fly to a variety of turbulent reacting flow problems and compare it to the widely used (but significantly more expensive) chemical explosive mode analysis (CEMA). We demonstrate the ability of the method to detect and identify the onset of low and high temperature ignition which can be used for computational steering, as chemical and combustion anomalies occur intermittently at spatio-temporal locations unknown a priori. Finally, we apply our lightweight in situ algorithm to an exascale high-fidelity simulation with a total of 2.4 Trillion degrees of freedom, performed using an adaptive mesh refinement solver. Furthermore, through a scalability analysis, we show that the relative computational cost of this in-situ anomaly detection algorithm compared to an iteration of the reacting flow solver is negligible.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Characterizing IHE Response to Multiple Shock Loading

The response of high explosives to shock loading is traditionally measured with a steady loading pressure. In many accident scenarios involving fragment impact, however, a loading duration that is shorter than the build up to detonation may occur. Fragments passing through multiple materials before reaching a high explosive charge may produce loading that is comprised of more than one shock wave. Additionally, the build up to detonation in high explosive corner turning loads the explosive a short duration pressure pulse, since rarefactions can often rapidly overtake the reactive wave. For these reasons, we have studied the response of the insensitive high explosive (IHE) materials PBX 9502 and LX-17 to complex loadings of varied intensity and duration. We refer to a single loading of limited duration as a “thin pulse”, whereas more complex scenarios were studied with an impactor that produces a double shock in the explosive. The following report presents experimental data and analyses of thin pulse shock initiation and double shock experiments designed to guide development of models of Insensitive High Explosives (IHEs) under controlled one-dimensional conditions relevant to accident scenarios and corner turning. Thin pulse shock initiation data on PBX 9502 and LX-17 were obtained under varied pulse duration, pressed density, and temperature conditions in order to probe various parameters essential for the development of a physics-based Cheetah reactive flow hotspot model. In situ pressure gauges provide insight into the degree of reaction in the explosive that are not obtainable with optical PDV measurements or distance measurements such as run to detonation. Double shock data was obtained to inform a Composition Aware Cheetah model which can be applied to any TATB-based IHEs. This model supports efforts to find a new IHE formulation and potentially incorporate new binders into IHE formulations. Simulations of each experiment are included to demonstrate the utility of these focused experiments to developing models of HE behavior. One-dimensional gas gun experiments are essential for characterizing shocked HE behavior and informing HE models.

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

Experimental and modeling analysis of detonation in circular arcs of the conventional high explosive PBX 9501

We examine the diffraction dynamics of a two-dimensional (2D) detonation in a circular arc of the conventional HMX-based, high performance, solid explosive PBX 9501, for which the detonation reaction zone length scale is estimated to be of the order of 100–150 µm. In this configuration, a steady propagating detonation will develop, sweeping around the arc with constant angular speed. We report on results from three PBX 9501 arc experiments, exploring the variation in linear speed on the inner and outer arc surfaces for the steady wave along with the structure of the curved detonation front, as a function of varying inner surface radius and arc thickness. Comparisons of the properties of the motion of the steady wave for each arc configuration are then made with a spatially-distributed PBX 9501 reactive burn model, calibrated to detonation performance properties in a 2D planar slab geometry. We show that geometry-induced curvature of the detonation near the inner arc surface has a significant effect on the detonation motion even for conventional high explosives. We also examine the detonation driving zone structure for each arc case, and thus the subsonic regions of the flow that determine the influence of the arc geometry on the detonation propagation. In addition, streamline paths and reaction progress isolines are calculated. Overall, we conclude that a common approximation for modeling conventional high explosive detonation, wherein the shock-normal detonation speed is assumed equal to the Chapman–Jouguet speed, can lead to significant errors in describing the speed at which the detonation propagates.

42 ENGINEERING↗
NASA NTRS1990

The effect of latent heat release on synoptic-to-planetary scale wave interactions and implications for satellite observations: Observational study

Researchers have been exploring methods to facilitate the prediction of rapidly intensifying surface cyclones. Recognizing that synoptic-scale systems, such as these cyclones, are less predictable at medium range and beyond than are planetary-scale circulations, researchers propose that the planetary-scale environment for explosive cyclogenesis could be better predicted than the cyclones themselves. Researchers have therefore constructed a planetary-scale climatology of explosive cyclogenesis by compositing together filtered 500 mb height fields (retaining planetary waves only) corresponding to a large sample of rapidly intensifying surface cyclones, stratified geographically and according to the direction of 500 mb geostrophic flow (southwesterly, northwesterly or westerly) over the cyclone center. The composites are calculated from five days preceding to five days following each rapid cyclogenesis event, and have climatology subtracted so that the evolution of planetary-scale anomalies before and after cyclogenesis can be followed. Whether the anomalies are distinct from background variability and thus provide predictive value is now being evaluated. Following explosive cyclogenesis over which the filtered 500 mb flow is southwesterly, there appear in the composites large positive 500 mb height anomalies downstream. In some cases, these anomalies are associated with blocking patterns. Whether the objectively-defined blocking patterns in the data set are preceded by upstream intense surface cyclone activity is being investigated. Finally, the contribution of synoptic-scale processes, notably warm air advection, to planetary-scale height rises during a block formation following an explosive cyclogenesis event is being diagnosed. Researchers hope to eventually evaluate the impact of satellite derived latent heat release upon the warm air advection in this case.

Colucci, Stephen J.↗
DOE OSTI2025

Kinematic Evidence for Bipolar Ejecta Flows in the Galactic Supernova Remnant W49B

W49B is a unique Galactic supernova remnant with centrally peaked, “bar”-like ejecta distribution, which was once considered evidence for a hypernova origin that resulted in a bipolar ejection of the stellar core. However, chemical abundance measurements contradict this interpretation. Closely connected to the morphology of the ejecta is its velocity distribution, which provides critical details for understanding the explosion mechanism. We report the first ever observational constraint on the kinematics of the ejecta in W49B using the Resolve microcalorimeter spectrometer on the X-ray Imaging and Spectroscopy Mission (XRISM). Using XRISM/Resolve, we measured the line-of-sight velocity traced by the Fe Heα emission, which is the brightest feature in the Resolve spectrum, to vary by ±300 km s −1 with a smooth east-to-west gradient of a few tens of kilometers per second per parsec along the major axis. Similar trends in the line-of-sight velocity structure were found for other Fe-group elements Cr and Mn, traced by the Heα emission, and also for intermediate-mass elements Si, S, Ar, and Ca, traced by the Lyα emission. The discovery of the east–west gradient in the line-of-sight velocity, together with the absence of a twin-peaked line profile or enhanced broadening in the central region, clearly rejects the equatorially expanding disk model. In contrast, the observed velocity structure suggests bipolar flows reminiscent of a bipolar explosion scenario. An alternative scenario would be a collimation of the ejecta by an elongated cavity sculpted by bipolar stellar winds.

High resolution spectroscopy↗
NASA NTRS1994

The very soft X-ray emission of X-ray-faint early-type galaxies

A recent reanaylsis of Einstein data, and new ROSAT observations, have revealed the presence of at least two components in the X-ray spectra of X-ray faint early-type galaxies: a relatively hard component (kT greater than 1.5 keV), and a very soft component (kT approximately 0.2-0.3 keV). In this paper we address the problem of the nature of the very soft component and whether it can be due to a hot interstellar medium (ISM), or is most likely originated by the collective emission of very soft stellar sources. To this purpose, hydrodynamical evolutionary sequences for the secular behavior of gas flows in ellipticals have been performed, varying the Type Ia supernovae rate of explosion, and the dark matter amount and distribution. The results are compared with the observational X-ray data: the average Einstein spectrum for six X-ray faint early-type galaxies (among which are NGC 4365 and NGC 4697), and the spectrum obtained by the ROSAT pointed observation of NGC 4365. The very soft component could be entirely explained with a hot ISM only in galaxies such as NGC 4697, i.e., when the depth of the potential well-on which the average ISM temperature strongly depends-is quite shallow; in NGC 4365 a diffuse hot ISM would have a temperature larger than that of the very soft component, because of the deeper potential well. So, in NGC 4365 the softest contribution to the X-ray emission comes certainly from stellar sources. As stellar soft X-ray emitters, we consider late-type stellar coronae, supersoft sources such as those discovered by ROSAT in the Magellanic Clouds and M31, and RS CVn systems. All these candidates can be substantial contributors to the very soft emission, though none of them, taken separately, plausibly accounts entirely for its properties. We finally present a model for the X-ray emission of NGC 4365, to reproduce in detail the results of the ROSAT pointed observation, including the Position Sensitive Proportional Counter (PSPC) spectrum and radial surface brightness distribution. The present data may suggest that the X-ray surface brightness is more extended than the optical profile. In this case, a straightforward explanation in terms of stellar sources could not be satisfactory. The available data can be better explained with three different contributions: a very soft component of stellar origin, a hard component from X-ray binaries, and an approximately 0.6 keV hot ISM. The latter can explain the extended X-ray surface brightness profile, if the galaxy has a dark-to-luminous mass ratio of 9, with the dark matter very broadly distributed, and a SN Ia explosive rate of approximately 0.6 the Tammann rate.

Pellegrini, S.↗
NASA NTRS2003

Icelandic Pseudocraters as Analogs to some Volcanic Cones on Mars

Pseudocraters are rootless vents formed by the interaction of lava flows with surface or near-surface water. This interaction can produce mild explosions and the accumulation of scoria and spatter into small constructs. Pseudocraters in several localities in Iceland were examined in the field and compared to similar appearing features observed on Mars. The Icelandic pseudocrater cones in this study range in size from 6 to 70 m in diameter, have summit craters which range from 2 to 28 m in diameter (many cones lack craters entirely), and have flanks that am either concave- up or convex-up. The size and spacing of Icelandic pseudo-craters might be a function of the availability of water, in which larger, closely spaced features result from efficient lava-water interaction, as suggested by the environments in which the features formed. Possible Martian pseudocrater cones in Amamnis Planitia range in diameter from 30 to 180 m and have craters 12 to 80 m in diameter. A numerical model for volcanic explosions was adapted to study the formation of pseudocraters under terrestrial and Martian conditions. The results suggest that explosions forming Martian cones require significantly less water (calculated masses am less by a factor of 4 to 16) than those forming Icelandic pseudokers, despite their larger sizes, This is attributed to the low gravity and atmospheric pressure in the Mars environment and is consistent with the likely lower abundance of water, which might be present as interstitial ice at shallow depths in the regolith. Locations of potential pseudocraters on Mars at latitudes as low as approximately 8 degrees N, imply the presence of crustal ice stores at the time of their formation.

Greeley, Ronald↗
NASA NTRS2011

The Interstellar Bullet Engine IRAS 05506+2414

Throughout their life-cycles, high-mass stars inject large amounts of energy and momentum into theirenvironments through stellar winds. Results from a study of the Orion BN/KL region indicate that disruption of a massive young stellar system can lead to an explosive event producing a wide-angle outflow, different from the classical bipolar flows driven by young stellar object (YSO) accretion disks. The discovery of a massive YSO, IRAS 05506+2414, may prove to be the second instance of this uncommon outflow. Prior to this study, data was collected using the Arizona Radio Observatory's 10-meter and 12-meter telescopes. Spectra of 16 different molecular line transitions were organized, reduced, and prepared for further analysis. A variety of molecular transitions were observed, such as 12CO 2-1, HCO+ 3-2, CS 3-2, in order to probe physical conditions of the YSO. From line transitions like HCO+ 3-2, we will determine physical properties like density, temperature, and velocity of our source object. For each molecular transition, the spectra were averaged in subsets, which were then averaged to produce a final spectra with an optimal signal to noise ratio. Future radiative modeling will yield mass and energetics of IRAS05506+2414.

millimeter-wave↗
DOE OSTI2023

Chapman–Jouguet deflagration criteria and compressibility dynamics of turbulent fast flames for turbulence-induced deflagration-to-detonation transition

This work characterizes the compressibility dynamics in turbulent fast flames for a range of turbulent flame speeds. These turbulent fast flames experience increased effects of compressibility through the formation of strong shocks and may develop a runaway acceleration combined with a pressure buildup that leads to turbulence induced deflagration-to-detonation transition (tDDT). Simultaneous high-speed particle image velocimetry, OH* chemiluminescence, schlieren, and pressure measurements are used to examine the reacting flow field and flame dynamics. We examine flames with turbulent flame speeds ranging from 100 to 600 m/s. At lower turbulent flame speeds, the flame is not able to produce favorable background conditions for deflagration-to-detonation transition (DDT) onset, and thus flame compressibility and turbulence amplification are less dominant, resulting in a weaker acoustic coupling between the flame and compressed region. As the turbulent burning velocities exceed the Chapman–Jouguet deflagration speed, favorable background conditions are produced, as we observe flame-generated shocks and flame-generated turbulence with higher turbulent velocities and larger turbulent scales. At this regime, the flame is categorized to be at the runaway transition regime that leads to tDDT.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Ambient ion focusing from a field-free region to a detector: enhanced signal for explosives and drug detection with mass spectrometry

This study demonstrates ion focusing at ambient pressure and increased ion signal by creating a voltage gradient from a field-free region to a detector, thereby improving the detection of chemicals, such as explosives and drugs. At ambient pressure, ion loss and resulting signal reduction pose challenges that limit detection sensitivity in analytical instruments. Techniques to increase sensitivity, such as atmospheric flow tube-mass spectrometry (AFT-MS), extend ion-molecule reaction times but result in significant overall ion loss due to diffusion. Ion manipulation techniques, though challenging at ambient pressure, can mitigate these losses by concentrating ions toward the detector inlet. Using SIMION, ion trajectories were modeled with a voltage gradient applied between a flow tube and a detector, revealing ion focusing at ambient pressure. Experimental verification with an atmospheric flow tube employed both mass spectrometry and Faraday plate detectors to measure ion beam profiles across varying flow rates, tube diameters, and voltage gradients. Application of a voltage gradient effectively directed ions to the axial center of the flow tube, narrowed ion beam width, and increased signal intensity by 5 to 10 times compared to conditions without a voltage gradient. This ion focusing approach shows promise for improving sensitivity in ambient-pressure instruments. This technique has the potential to enhance detection levels in security and forensic applications, with particular benefits for field-portable devices used at checkpoints to identify explosives and drugs.

ambient pressure↗
NASA NTRS1985

Explosive tail reconnection - The growth and expansion phases of magnetospheric substorms

In the current 'conceptual' model of magnetospheric substorms, the growth phase terminates and the expansion phase commences with the onset of rapid reconnection at a new, near-earth X-type neutral line. Physical concepts developed in the analysis of the collisionless tearing mode and the flow of collisionless plasma in weakly magnetized, thin current sheets are combined to construct a model of purely collisionless, time-dependent, ion-dominated reconnection. Formulated in the context of time-dependent magnetospheric convection, the model describes the reconnection collapse of the initially thick plasma sheet. In the nonlinear phase the reconnection rate grows explosively in time and saturates into a steady collisionless reconnection flow when the initial magnetic flux in the current sheet has reconnected; at saturation the reconnection rate is comparable to the maximum Petschek rate. The time scale and dynamics of the explosive reconnection model are broadly consistent with observations of substorm growth phase and expansion phase onset. For typical plasma sheet parameters the explosive reconnection electromotive force across the tail approaches 1 MV at saturation.

Coroniti, F. V.↗
DOE OSTI2025

Detonation Waves in High Explosives

A material at high temperature can react or decompose. For an energetic material, the reaction is exothermic and releases chemical energy that would further increase the temperature. Under some circumstances, when a reaction is triggered, such a reaction can propagate and the material rapidly releases a large amount of energy giving rise to an explosion. Examples of such materials are aerosols, suspensions of solid particles or liquid droplets in a gas; such as coal dust, grain dust and fuel-air explosions. Frequently, explosions are due to accidents. A spectacularly destructive example is the recent explosion of a large quantity of ammonium nitrate (thousands of tons) in Beirut, Lebanon (August 2020); see for example Beirut explosion. Ammonium nitrate is used as a fertilizer. It and the aerosols are not considered to be explosives due to the limited conditions for which an explosion can occur. An aerosol gets the oxidizer from the surrounding air. Burning requires diffusion of the oxidizer to the particle surface where the reaction occurs. A large density of small particles is required for a fast enough reaction to support an explosion. In contrast, an explosive is an energetic material with both fuel and oxidizer mixed on a molecular scale (either premixed gases or within molecules of a solid). This allows fast enough reactions over a wide range of conditions to support a self-propagating reactive wave known as a detonation wave. A detonation wave can be controlled and an explosive used for useful purposes such as in mining, construction, demolition, explosive welding, argon flash lamp, pulsed power using a magnetic flux generator [see also Goforth et al., 2015], jet cutter with shaped charge, explosive art, and generating conditions to study the response of materials at high strain rates and high pressures [see for example, Marsh, 1980]. Explosives are also used in conventional munitions and nuclear weapons. The focus of this book is on the theory and phenomenology of solid high explosives (HEs); in particular, plastic-bonded explosives (PBXs). Some aspects of detonation wave theory are needed to interpret explosive data. Hence, the theory is presented before the detonation wave phenomenology. A familiarity with fluid flow, specifically the notion of shock waves and the shock loci are assumed. In the remainder of this chapter we give a brief overview on the basic properties of detonation waves and PBXs.

36 MATERIALS SCIENCE↗
NASA NTRS1977

Nevada Test Site craters used for astronaut training

Craters produced by chemical and nuclear explosives at the Nevada Test Site were used to train astronauts before their lunar missions. The craters have characteristics suitable for reconnaissance-type field investigations. The Schooner test produced a crater about 300 m across and excavated more than 72 m of stratigraphic section deposited in a fairly regular fashion so that systematic observations yield systematic results. Other features common on the moon, such as secondary craters and glass-coated rocks, are present at Schooner crater. Smaller explosive tests on Buckboard Mesa excavated rocks from three horizontal alteration zones within basalt flows so that the original sequence of the zones could be determined. One crater illustrated the characteristics of craters formed across vertical boundaries between rock units. Although the exercises at the Nevada Test Site were only a small part of the training of the astronauts, voice transcripts of Apollo missions 14, 16, and 17 show that the exercises contributed to astronaut performance on the moon.

Moore, H. J.↗
NASA NTRS1986

Systematic development of reduced reaction mechanisms for dynamic modeling

A method for systematically developing a reduced chemical reaction mechanism for dynamic modeling of chemically reactive flows is presented. The method is based on the postulate that if a reduced reaction mechanism faithfully describes the time evolution of both thermal and chain reaction processes characteristic of a more complete mechanism, then the reduced mechanism will describe the chemical processes in a chemically reacting flow with approximately the same degree of accuracy. Here this postulate is tested by producing a series of mechanisms of reduced accuracy, which are derived from a full detailed mechanism for methane-oxygen combustion. These mechanisms were then tested in a series of reactive flow calculations in which a large-amplitude sinusoidal perturbation is applied to a system that is initially quiescent and whose temperature is high enough to start ignition processes. Comparison of the results for systems with and without convective flow show that this approach produces reduced mechanisms that are useful for calculations of explosions and detonations. Extensions and applicability to flames are discussed.

Frenklach, M.↗
NASA NTRS1996

Sulfur, Chlorine, and Flourine Degassing and Atmospheric Loading by the 1783 - 1784 AD Laki (Skaftar Fires) Eruption in Iceland

The 1783-1784 Laki tholeiitic basalt fissure eruption in Iceland was one of the greatest atmospheric pollution events of the past 250 years, with widespread effects in the northern hemisphere. The degassing history and volatile budget of this event are determined by measurements of pre-eruption and residual contents of sulfur, chlorine, and fluorine in the products of all phases of the eruption. In fissure eruptions such as Laki, degassing occurs in two stages: by explosive activity or lava fountaining at the vents, and from the lava as it flows away from the vents. Using the measured sulfur concentrations in glass inclusions in phenocrysts and in groundmass glasses of quenched eruption products, we calculate that the total accumulative atmospheric mass loading of sulfur dioxide was 122 Mt over a period of 8 months. This volatile release is sufficient to have generated approximately 250 Mt of H2SO4 aerosols, an amount which agrees with an independent estimate of the Laki aerosol yield based on atmospheric turbidity measurements. Most of this volatile mass (approximately 60 wt.%) was released during the first 1.5 months of activity. The measured chlorine and fluorine concentrations in the samples indicate that the atmospheric loading of hydrochloric acid and hydrofluoric acid was approximately 7.0 and 15.0 Mt, respectively. Furthermore, approximately 75% of the volatile mass dissolved by the Laki magma was released at the vents and carried by eruption columns to altitudes between 6 and 13 km. The high degree of degassing at the vents is attributed to development of a separated two-phase flow in the upper magma conduit, and implies that high-discharge basaltic eruptions such as Laki are able to loft huge quantities of gas to altitudes where the resulting aerosols can reside for months, or even 1-2 years. The atmospheric volatile contribution due to subsequent degassing of the Laki lava flow is only 18 wt.% of the total dissolved in the magma, and these emissions were confined to the lowest regions of the troposhere and therefore important only over Iceland. This study indicates that determination of the amount of sulfur degassed from the Laki magma batch by measurements of sulfur in the volcanic products (the petrologic method) yields a result which is sufficient to account for the mass of aerosols estimated by other methods.

Thordarson, T.↗
DOE OSTI2021

New Design Yields Robust Large-Area Framing Camera

Manuscript to be submitted to Review of Scientific Instruments to determine interest in possible publication. Website: https://aip.scitation.org/rsi/authors/manuscript High-speed imaging is a core diagnostic capability for the Nevada National Security Site (NNSS). Data from experiments that measure the behavior of materials under extreme conditions are essential for the stockpile mission. For example, during subcritical experiments, materials that are shocked and compressed under high-explosive drive change behavior rapidly over timescales measured in millionths or even billionths of a second. Characterizing and understanding this behavior requires radiographic and/or optical imaging to track motion on these timescales. Framing cameras provide a discrete series of images over a short period of time in a manner that mimics a high-speed movie camera, but with individual shutter times that must be extremely short in order to capture freeze-frame images of rapidly evolving phenomena such as high-explosive shock-driven ejecta, dynamic compression of metals, and high-velocity fluid flow.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗