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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Crystal chemistry at high pressure

The chemistry we are taught in school, and we experience in our daily existence occurs at 1 atm. However, pressure spans an astounding 62 orders of magnitude in the Universe in going from the void of interstellar space to the crushing conditions at the center of a neutron star. The way in which pressure affects chemistry is important for Earth and planetary sciences, materials science, in understanding the extreme conditions experienced in nuclear explosions, and it may be key in addressing the future energy needs of our society. In this article we outline how the often neglected pressure variable affects chemistry, beginning from the way in which atomic energy levels are altered. This lays the foundation for understanding the unique crystal and electronic structures that emerge when matter is squeezed, as well as pressure’s effect on chemical reactivity. Finally, we give an overview of the main concepts behind conventional, or phonon-mediated, superconductivity, and describe how the pressure variable may be key in discovering and designing light-element based materials whose superconducting critical temperatures approach room temperature. Here, we discuss some of the main families of superconducting hydrides that have been predicted computationally, and the experimental successes in this exciting and rapidly developing field.

Chemical bonding↗
NASA NTRS1992

Origin and evolution of planetary atmospheres

This report concerns several research tasks related to the origin and evolution of planetary atmospheres and the large-scale distribution of volatile elements in the Solar System. These tasks and their present status are as follows: (1) we have conducted an analysis of the volatility and condensation behavior of compounds of iron, aluminum, and phosphorus in the atmosphere of Venus in response to publish interpretations of the Soviet Venera probe XRF experiment data, to investigate the chemistry of volcanic gases, injection of volatiles by cometary and asteroidal impactors, and reactions in the troposphere; (2) we have completed and are now writing up our research on condensation-accretion modeling of the terrestrial planets; (3) we have laid the groundwork for a detailed study of the effects of water transport in the solar nebula on the bulk composition, oxidation state, and volatile content of preplanetary solids; (4) we have completed an extensive laboratory study of cryovolcanic materials in the outer solar system; (5) we have begun to study the impact erosion and shock alteration of the atmosphere of Mars resulting from cometary and asteroidal bombardment; and (6) we have developed a new Monte Carlo model of the cometary and asteroidal bombardment flux on the terrestrial planets, including all relevant chemical and physical processes associated with atmospheric entry and impact, to assess both the hazards posed by this bombardment to life on Earth and the degree of cross-correlation between the various phenomena (NO(x) production, explosive yield, crater production, iridium signature, etc.) that characterize this bombardment. The purpose of these investigations has been to contribute to the developing understanding of both the dynamics of long-term planetary atmosphere evolution and the short-term stability of planetary surface environments.

Lewis, John S.↗
DOE OSTI2020

Potential Impact of Fast Flavor Oscillations on Neutrino-driven Winds and Their Nucleosynthesis

The wind driven by the intense neutrino emission from a protoneutron star (PNS) is an important site for producing nuclei heavier than the Fe group. Because of certain features in the neutrino angular distributions, the so-called fast flavor oscillations may occur very close to the PNS surface, effectively resetting the neutrino luminosities and energy spectra that drive the wind. Using the unoscillated neutrino emission characteristics from two core-collapse supernova simulations representative of relevant progenitors at the lower and higher mass end, we study the potential effects of fast flavor oscillations on neutrino-driven winds and their nucleosynthesis. We find that such oscillations can increase the total mass loss by factors up to ~1.5–1.7 and lead to significantly more proton-rich conditions. The latter effect can greatly enhance the production of 64 Zn and the so-called light p-nuclei 74 Se, 78 Kr, and 84 Sr. Implications for abundances in metal-poor stars, Galactic chemical evolution in general, and isotopic anomalies in meteorites are discussed.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

First principles reactive simulation for equation of state prediction

The high cost of density functional theory (DFT) has hitherto limited the ab initio prediction of the equation of state (EOS). In this article, we employ a combination of large scale computing, advanced simulation techniques, and smart data science strategies to provide an unprecedented ab initio performance analysis of the high explosive pentaerythritol tetranitrate (PETN). Comparison to both experiment and thermochemical predictions reveals important quantitative limitations of DFT for EOS prediction and thus the assessment of high explosives. In particular, we find that DFT predicts the energy of PETN detonation products to be systematically too high relative to the unreacted neat crystalline material, resulting in an underprediction of the detonation velocity, pressure, and temperature at the Chapman–Jouguet state. The energetic bias can be partially accounted for by high-level electronic structure calculations of the product molecules. Furthermore we demonstrate a modeling strategy for mapping chemical composition across a wide parameter space with limited numerical data, the results of which suggest additional molecular species to consider in thermochemical modeling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

A central arctic extreme aerosol event triggered by a warm air-mass intrusion

Frequency and intensity of warm and moist air-mass intrusions into the Arctic have increased over the past decades and have been related to sea ice melt. During our year-long expedition in the remote central Arctic Ocean, a record-breaking increase in temperature, moisture and downwelling-longwave radiation was observed in mid-April 2020, during an air-mass intrusion carrying air pollutants from northern Eurasia. The two-day intrusion, caused drastic changes in the aerosol size distribution, chemical composition and particle hygroscopicity. Here we show how the intrusion transformed the Arctic from a remote low-particle environment to an area comparable to a central-European urban setting. Additionally, the intrusion resulted in an explosive increase in cloud condensation nuclei, which can have direct effects on Arctic clouds’ radiation, their precipitation patterns, and their lifetime. Thus, unless prompt actions to significantly reduce emissions in the source regions are taken, such intrusion events are expected to continue to affect the Arctic climate.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1984

Planetary geomorphology field studies: Iceland and Antarctica

Field studies of terrestrial landforms and the processes that shape them provide new directions to the study of planetary features. These studies, conducted in Iceland and in Antarctica, investigated physical and chemical weathering mechanisms and rates, eolitan processes, mudflow phenomena, drainage development, and catastrophic fluvial and volcanic phenomena. Continuing investigations in Iceland fall in three main catagories: (1) catastrophic floods of the Jokulsa a Fjollum, (2) lahars associated with explosive volcanic eruptions of Askja caldera, and (3) rates of eolian abrasion in cold, volcanic deserts. The ice-free valleys of Antarctica, in particular those in South Victoria Land, have much is common with the surface of Mars. In addition to providing independent support for the application of the Iceland findings to consideration of the martian erosional system, the Antarctic observations also provide analogies to other martian phenomena. For example, a family of sand dunes in Victoria Valley are stabilized by the incorporation of snow as beds.

Malin, M. C.↗
DOE OSTI2023

Role of heating and turbulent heat transfer in HE burning and detonation

Enhanced heat transfer model has been developed due to the turbulence in the cracks and pores in the burning fractured HE. This turbulence then serves in the initialization of the turbulence in the product gas. Enhanced heat transfer is also modeled in the turbulent product gas. Numerical simulations of the onset of HE burning and transition to detonation have been performed with and without the turbulent heat transfer model. Computational results indicate that onset of chemical reactions and transition to detonation is induced by the shockwave formed by the pressure rise caused by the heating. In other words, processes similar to shock-to-detonation transition (SDT) could become the driving mechanism for HE explosion and detonation in the case of heating rather than the temperature alone.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
NASA NTRS1980

Thermal history, chemical composition and relationship of comets to the origin of life

The role of thermal processes in determining the chemical composition of comets is considered, and implications of possible cometary constituents for the origin and evolution of life on earth are discussed. It is shown that the inclusion of short-lived Al-26 from a nearby supernova explosion into cometary nuclei could lead to comets with surfaces cool enough to retain H2O and interiors warm enough for thermal processing to occur, with the production of complex organic molecules such as amino acids and nucleic acid bases. It is thus suggested that comets may have played a part in seeding the primitive earth with biological polymers capable of self-replication or of evolving towards that capability, and may even be responsible for the subsequent introduction of organic material capable of infecting already existing cells.

Irvine, W. M.↗
NASA NTRS1950

On the theory of the propagation of detonation in gaseous systems

The existing theory of detonation is critically examined. It is shown that the considerations with which the steady value of the velocity of detonation is chosen are not convincing. In connection with the problem of the process of the chemical reaction in a detonation wave, the objections raised against the conceptions of Le Chatelier and Vieille of the 19th century with regard to the ignition of the gas by the shock wave are refuted. On the basis of this concept, it is possible to give a rigorous foundation for the existing method of computing the detonation velocity. The distributions of the temperature, the pressure, and the velocity in the detonation wave front as the chemical reaction proceeds, are considered. On the assumption of the absence of losses, the pure compression of the gas in the shock wave at the start of the chemical reaction develops a temperature that is near the temperature of combustion of the given mixture at constant pressure.

THEORIES - DETONATION WAVES↗
DOE OSTI2023

Standoff trace explosives vapor detection at meter distances

Vapor detection is a noncontact sampling method, which is a less invasive means of explosives screening than physical swiping. Explosive vapor detection is a challenge due to the low levels of vapors available for detection. This study demonstrates that the parts-per-quadrillion sensitivity of atmospheric flow tube-mass spectrometry (AFT-MS) combined with a high-volume air sampler enables standoff detection of trace explosives vapor at distances of centimeters to meters. Standoff detection of explosives vapor was possible both upstream and downstream of the vapor source relative to room air currents. RDX vapor from a saturated source was detected at up to 2.5 m. Vapors from RDX residue and nitroglycerin residue were detected at distances up to 0.5 m. The sampling can be optimized by accounting for air movement in the room or environment, which could further extend standoff detection distances. In conclusion, using AFT-MS with a high-volume sampler could also be effective for standoff vapor detection of drugs and additional chemical threats and could be useful for security screening applications such as at mail facilities, border crossings, and security checkpoints.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Volcanic electrification: recent advances and future perspectives

Abstract The electrification of volcanic plumes has been described intermittently since at least the time of Pliny the Younger and the 79 AD eruption of Vesuvius. Although sometimes disregarded in the past as secondary effects, recent work suggests that the electrical properties of volcanic plumes reveal intrinsic and otherwise inaccessible parameters of explosive eruptions. An increasing number of volcanic lightning studies across the last decade have shown that electrification is ubiquitous in volcanic plumes. Technological advances in engineering and numerical modelling, paired with close observation of recent eruptions and dedicated laboratory studies (shock-tube and current impulse experiments), show that charge generation and electrical activity are related to the physical, chemical, and dynamic processes underpinning the eruption itself. Refining our understanding of volcanic plume electrification will continue advancing the fundamental understanding of eruptive processes to improve volcano monitoring. Realizing this goal, however, requires an interdisciplinary approach at the intersection of volcanology, atmospheric science, atmospheric electricity, and engineering. Our paper summarizes the rapid and steady progress achieved in recent volcanic lightning research and provides a vision for future developments in this growing field.

58 GEOSCIENCES↗
NASA NTRS1981

Measurements of nitric oxide after a nuclear burst

Measurements of ozone and nitric oxide in a nuclear cloud 7 days after the explosion are reported. No measurable increase above ambient density of either ozone or nitric oxide was found. Results from a chemistry model of the cloud do not agree with the measurement unless 'nonstandard' assumptions are made with regard to the operating chemical processes. A number of possible explanations of the results are discussed.

Mcghan, M.↗
DOE OSTI2021

Production of desensitized, ultrafine PETN powder

Pentaerythritol tetranitrate (PETN) is a widely studied high explosive (HE), most commonly used in detonator applications. In this work, we use a spray drying technique to manufacture a new “nano-powder” morphology of PETN. The spray dried PETN is several orders of magnitude smaller in particle size than traditionally prepared PETN powders. The spray dried PETN has a mostly spherical and smooth morphology, while traditional crystalline PETN typically has sharp edges and crystal facets. Small-scale sensitivity tests including drop-weight impact, friction, and electrostatic discharge (ESD) indicate the spray dried PETN is less sensitive than traditionally used forms of PETN powders. Furthermore, we also observed no changes in chemical properties (melt temperature and onset of decomposition) after spray drying, and the material remains in the tetragonal, crystalline phase.

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

Experimental measurement of energy release from an initiating layer in an insensitive explosive

When subjected to a shock of insufficient strength to trigger prompt reaction, heterogenous condensed phase explosives can form regions where significant amounts of the explosive remain unreacted for times much greater than the reaction time of the detonating explosive. This phenomena is observed for the explosive PBX 9502 (95 wt% TATB) both for planar and oblique input shocks. Here, we build on previous results by performing cylinder expansion (CYLEX) tests where the explosive charge is comprised of a faster core of PBX 9501 (95 wt% HMX) inside a slower annulus of PBX 9502. The detonation in the faster PBX 9501 drives an oblique shock into the adjacent PBX 9502, and an annular transverse initiating layer (IL) results. In the test geometry, the IL travels steadily down the length of the test after a short run distance. At radial positions beyond the IL, an annular region of detonating PBX 9502 is observed. Using standard CYLEX test diagnostics, we infer the total energy release of this experiment. By making the assumptions that (1) the combined energy release is comprised of contributions from detonating PBX 9501, detonating PBX 9502, and the IL in the PBX 9502 and (2) mass-specific energy release for the detonating explosives is approximately the same as typically observed for each explosive, the IL energy release and reaction efficiency can be computed. Results are compared to prior results for a similar geometry, and indicate that while shock deadened PBX 9502 does not detonate promptly, it does eventually release a significant portion of its chemical potential energy over longer timescales on the order of 10 µs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

The host galaxies of 106 rapidly evolving transients discovered by the Dark Energy Survey

Rapidly evolving transients (RETs), also termed fast blue optical transients, are a recently discovered group of astrophysical events that display rapid luminosity evolution. RETs typically rise to peak in less than 10 d and fade within 30, a time-scale unlikely to be compatible with the decay of Nickel-56 that drives conventional supernovae (SNe). Their peak luminosity spans a range of -15 < Mg < -22.5, with some events observed at redshifts greater than 1. Their evolution on fast time-scales has hindered high-quality follow-up observations, and thus their origin and explosion/emission mechanism remains unexplained. In this paper, we present the largest sample of RETs to date, comprising 106 objects discovered by the Dark Energy Survey, and perform the most comprehensive analysis of RET host galaxies. Using deep-stacked photometry and emission lines from OzDES spectroscopy, we derive stellar masses and star formation rates (SFRs) for 49 host galaxies, and metallicities ([O/H]) for 37. Here, we find that RETs explode exclusively in star-forming galaxies and are thus likely associated with massive stars. Comparing RET hosts to samples of host galaxies of other explosive transients as well as field galaxies, we find that RETs prefer galaxies with high specific SFRs ($\langle$log(sSFR)$\rangle$ ~ -9.6), indicating a link to young stellar populations, similar to stripped-envelope SNe. RET hosts appear to show a lack of chemical enrichment, their metallicities akin to long-duration gamma-ray bursts and superluminous SN host galaxies ($\langle$12+ log (O/H)$\rangle$ ~ 9.4). There are no clear relationships between mass or SFR of the host galaxies and the peak magnitudes or decline rates of the transients themselves.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

V31 Test Report

The V31 containment vessel was procured by the US Army Recovered Chemical Material Directorate (RCMD) as a third - generation EDS containment vessel. It is the fifth EDS vessel to be fabricated under Code Case 2564 of the 2019 ASME Boiler and Pressure Vessel Code, which provides rules for the design of impulsively loaded vessels. The explosive rating for the vessel, based on the code case, is twenty-four (24) pounds TNT - equivalent for up to 1092 detonations. This report documents the results of explosive tests that were performed on the vessel at Sandia National Laboratories in Albuquerque, New Mexico to qualify the vessel for field operations use. There were three design basis configurations for qualification testing. Qualification test (1) consisted of a simulated M55 rocket motor and warhead assembly of 24lbs of Composition C-4 (30 lb TNT equivalent). This test was considered the maximum load case, based on modeling and simulation methods performed by Sandia prior to the vessel design phase. Qualification test (2) consisted of a regular, right circular cylinder, unitary charge, located central to the vessel interior of 19.2 lb of Composition C-4 (24 lb TNT equivalent). Qualification test (3) consisted of a 12-pack of regular, right circular cylinders of 2 lb each, distributed evenly inside the vessel (totaling 19.2 lb of C-4, or 24 lb TNT equivalent). All vessel acceptance criteria were met.

42 ENGINEERING↗
NASA NTRS2006

Intelligent Chemical Sensor Systems for In-space Safety Applications

Future in-space and lunar operations will require significantly improved monitoring and Integrated System Health Management (ISHM) throughout the mission. In particular, the monitoring of chemical species is an important component of an overall monitoring system for space vehicles and operations. For example, in leak monitoring of propulsion systems during launch, inspace, and on lunar surfaces, detection of low concentrations of hydrogen and other fuels is important to avoid explosive conditions that could harm personnel and damage the vehicle. Dependable vehicle operation also depends on the timely and accurate measurement of these leaks. Thus, the development of a sensor array to determine the concentration of fuels such as hydrogen, hydrocarbons, or hydrazine as well as oxygen is necessary. Work has been on-going to develop an integrated smart leak detection system based on miniaturized sensors to detect hydrogen, hydrocarbons, or hydrazine, and oxygen. The approach is to implement Microelectromechanical Systems (MEMS) based sensors incorporated with signal conditioning electronics, power, data storage, and telemetry enabling intelligent systems. The final sensor system will be self-contained with a surface area comparable to a postage stamp. This paper discusses the development of this "Lick and Stick" leak detection system and it s application to In-Space Transportation and other Exploration applications.

Hunter, G. W.↗
DOE OSTI2023

V31 Test Report

The V31 containment vessel was procured by the US Army Recovered Chemical Materiel Directorate (RCMD) as a third-generation EDS containment vessel. It is the fifth EDS vessel to be fabricated under Code Case 2564 of the 2019 ASME Boiler and Pressure Vessel Code, which provides rules for the design of impulsively loaded vessels. The explosive rating for the vessel, based on the code case, is twenty-four (24) pounds TNT-equivalent for up to 1092 detonations. This report documents the results of explosive tests that were performed on the vessel at Sandia National Laboratories in Albuquerque, New Mexico to qualify the vessel for field operations use. There were three design basis configurations for qualification testing. Qualification test (1) consisted of a simulated M55 rocket motor and warhead assembly of 24lbs of Composition C-4 (30 lb TNT equivalent). This test was considered the maximum load case, based on modeling and simulation methods performed by Sandia prior to the vessel design phase. Qualification test (2) consisted of a regular, right circular cylinder, unitary charge, located central to the vessel interior of 19.2 lb of Composition C-4 (24 lb TNT equivalent). Qualification test (3) consisted of a 12-pack of regular, right circular cylinders of 2 lb each, distributed evenly inside the vessel (totaling 19.2 lb of C-4, or 24 lb TNT equivalent). All vessel acceptance criteria were met .

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗