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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

TATB thermal decomposition: Expanding the molecular profile with cryo-focused pyrolysis GC-MS

Understanding the molecular composition of high explosives during thermal decomposition is vital for predicting the sensitivity, safety, and performance of explosive materials. The thermal decomposition of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) has been linked to the formation of furazans through a series of dehydration reactions of the NO2 and NH2 groups on the phenyl ring, along with breakdown into small molecules (≤120 amu). Molecular identification of compounds formed in this transformation of the furazans to light gases has been lacking. To address this, we have applied a pseudo-confined sampling system in a cryo-focused pyrolysis gas chromatography-mass spectrometry (pyGC-MS) system to molecularly identify these intermediates. By design, sublimation of TATB, which has complicated MS analyses of thermal degradation, was significantly reduced and additional compounds were identified with potential structural information. In addition to the known furazan compounds, one of these compounds forms from the loss of oxygen from benzo-trifurazan (F3) and produces an open ring structure that may be the first step in the formation of lower molecular weight furazan breakdown products. The loss of a nitro group from benzo-monofurazan (F1) was also discovered and implicates the formation of oxidizing NO2 gas in the thermal decomposition mechanism. So these findings are vital for understanding the proper heat flow from energetic materials on a molecular level, necessary when measuring enthalpy and developing decomposition models based on kinetic parameters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Deep root activity overprints weathering of petrogenic organic carbon in shale

The oxidation of organic carbon in sedimentary bedrock (petrogenic OC, OC petro ) is increasingly recognized as a potential source of CO 2 to the atmosphere. Recent studies provide evidence for the mobilization and oxidation of OC petro in sedimentary bedrock during rock weathering. However, the mechanisms and rates remain uncertain, particularly where overlying soils and vegetation drive contemporaneous oxidation of recently fixed organic carbon. Here, in this study, we quantify OC petro weathering across a 16 m shale depth profile in a steep, rapidly eroding forested hillslope in the Northern California Coast Ranges. We report solid and gas phase radiocarbon and stable isotope analyses of samples extracted from specialized in-situ samplers, and a supporting laboratory incubation experiment of the shale regolith. OC petro is removed from the weathered bedrock at a rate of approximately 0.12 gC/m 3 yr, which is orders of magnitude lower than the rate of OC petro oxidation we achieved in the laboratory with crushed samples (557.1 gC/m 3 yr). This disparity occurs despite high O 2(g) content across the depth profile, indicating that physical accessibility of OC petro can regulate oxidative weathering. There is no direct radiocarbon evidence of OC petro oxidation in CO 2(g) across the upper 13 m of the weathering profile during both wet and dry seasons. Instead, vadose zone CO 2(g) production at the site is dominated by respiration of recently fixed carbon associated with deep rooting. OC petro is clearly mobilized across the vadose zone during weathering in this rapidly eroding, oxygen-rich, biologically dynamic hillslope, but at rates far below what can be measured given the contribution of root-derived CO 2(g) .

58 GEOSCIENCES↗
DOE OSTI2022

Optical properties of Mo and amorphous MoOx, and application to antireflection coatings for metals

To form antireflection (AR) coatings to hide metal architecture in display technologies, we deposited thin films of metal Mo and oxide MoOx by sputtering targets of various compositions using pure Ar sputter gas. The optical constants [n,k] of these samples were measured by the direct numerical solution of reflectance and transmittance at each wavelength point measured. We find that 50 nm films are uniform in the growth direction, but for thicker 100 nm samples, evidence exists for nonuniform growth, where the top 20 nm appears to be metal rich. From these [n,k], negative Tauc bandgap energies show these oxides are semi-metals. We then identified the specific composition (x) that optimizes the AR response for a host of metals (Al, Cu, Ag, Au). Finally, two methods were used to understand why these MoOx materials function well as AR media, including (i) using phasor rays and (ii) developing a universal expression for the AR condition that applies to both dielectric and metal substrates. In (i), we find two characteristics for AR of metals: (a) its optical thickness should be roughly π3, not the π2 for dielectrics, since for MoOx, their [r^ij,t^ij] Fresnel phases differ from the usual [180°, 0°] of dielectrics; and (b) the medium incorporates a k-dominant strategy whose function is to absorb the energy that is reflected at the AR/metal interface. In (ii), the universal AR condition is found to be r^01+r^12z^=0. For dielectrics, this reduces to the well-known nAR=nairnsub condition. However, for metals, a concise analytic expression is lacking since this expression is highly nonlinear but is easily solved by numerical methods.

Tsu, David V. (ORCID:0000000295903418)↗
DOE OSTI2025

In situ neutron and synchrotron diffraction of La0.9Sr0.1Co1-yFeyO3 (y=0, 0.25, 0.75, 1)

Powder La0.9Sr0.1Co1-yFeyO3 (y=0, 0.25, 0.75, 1) samples were probed via in situ neutron (POWGEN, Spallation Neutron Source, Oak Ridge National Laboratory) and synchrotron (11-BM, Advanced Photon Source, Argonne National Lab) diffraction cycling between methane and air at temperatures ranging from room temperature to 850 C. Mail in neutron data (POWGEN) was collected on the samples at room temperature and 10 K. Additionally, gas production under similar reaction conditions as the in situ diffraction as monitored by Gasboard 3100 (California State University, Fullerton) is also included.

catalysis↗
DOE OSTI2022

Leaf water potential, Feb2016-May2016, PA-SLZ, PA-PNM, PA-BCI: Panama

This data package contains leaf water potential data from the Barro Colorado Island (BCI), Parque Natural Metropolitano (PNM), and Bosque Protector San Lorenzo (SLZ) NGEE Tropics field sites in Panama. Pre-dawn and diurnal leaf water potential were measured on a monthly basis from February to May 2016 at SLZ and PNM. Data from BCI are only available for the month of March. This data was collected as part of the 2016 El Niño-Southern Oscillation (ENSO) campaign. Included in the attached zip file are data and metadata folders. The single data file "2016ENSO_Panama_LWP" has been provided in both Excel and CSV formats for usability purposes. The metadata file "Metadata_description_2016_ENSO_Panama" provides protocols, site descriptions, equipment information, and more, and has been provided in .docx and PDF file formats. See related datasets (existing and future) for further sample details, leaf spectra, leaf mass area (LMA), gas exchange and leaf chemistry data. VERSION 2 update. The identification of a species from the PNM site has been corrected as follows: the identification of the tree initially identified as Pseudosamanea guachapele (ALBIED) has been revised to Albizia adinocephala (ALBIAD). The updated data package includes revised data, metadata and protocol documents updated to reflect this change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Leaf spectral reflectance and transmittance, San Lorenzo, Panama, 2020

This data package contains full-range (350 – 2500 nm) leaf reflectance and transmittance spectra of leaves collected at the San Lorenzo forest canopy crane site in Panama (PA-SLZ) from January to March 2020. Around 1000 leaves were measured from 50 species and various leaf phenological stages. Leaves were sampled from both the top of the canopy and multiple heights within the canopy from 10 vertical profiles and for six core species, from the top of the canopy. This data package includes processed leaf spectra (*.csv), and raw data from the spectroradiometer (compressed as .zip). Metadata files include data descriptions (_dd.csv) for tabular data and sample information and a description of the field campaign protocol (PA-SLZ_2020_Protocol.pdf). In addition to the leaf spectral measurements included here, these samples were also used for measurement of leaf gas exchange, carbon and nitrogen content and leaf mass per unit leaf area (LMA) contained in related data packages.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Fabricating Diamond-like Amorphous Carbon

Using a magnetically confined hot hollow cathode PE-CVD, hydrocarbon gas is decomposed under a diluent gas to deposit hydrogenated amorphous carbon onto a sample holder. During the fabrication of the hydrogenated amorphous carbon, the electric potential, electron temperature, and electron density of the plasma are measured with a Langmuir probe. Raman spectroscopy is used to determine the structural and electronic characterization of the final hydrogenated amorphous carbon solid.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Partitioning of Radionuclides in Various Streams of the Mo-99 Purification Process

The Universal Neutron Irradiator (UNI) was designed to irradiate a small volume of uranium solution and to achieve high fission power without creating a large radionuclide (RN) inventory. The UNI system is equipped with a fully enclosed off-gas system with online hydrogen gas monitoring to prevent the production of an explosive atmosphere, as well as storage cylinders for capturing fission gases. It also includes a catalytic recombiner in the target capsule (to immediately recombine radiolytic hydrogen and oxygen gas in the system) and access ports for sampling the target solution and capsule headspace. In UNI Phase I experiments, 50 mL of uranyl sulfate solution was irradiated at 0.3–0.5 W/mL fission power using a tantalum target assembly to produce photoneutrons via irradiation with an electron beam. The purposes of the Phase I experiments were to test the efficacy of adding 200 ppm Fe 2+ to the target solution to prevent uranyl peroxide precipitation under representative irradiation conditions, and to monitor iodine speciation in the irradiated uranyl sulfate solution. The focus of the UNI Phase II experiments was to use an irradiated uranyl sulfate solution containing a mixture of fission products and monitor their distribution in various streams during the primary recovery column (titania-based column) that separates Mo-99 from uranium. Irradiations were designed to create sufficient activity for tracking their distribution in various processing streams using a combination of gamma counting and inductively coupled plasma mass spectrometry (ICP-MS) analyses. Obtained data will be used to better understand the composition of waste streams, accumulation of RN on the titania column, and identify what RNs accumulate in the uranyl sulfate solution. Furthermore, this knowledge will allow us to determine waste classifications for various streams produced during the Mo-99 purification process and develop an appropriate waste clean-up strategy.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Constraints on Nonthermal Pressure at Galaxy Cluster Outskirts from a Joint SPT and XMM-Newton Analysis

We present joint South Pole Telescope and XMM-Newton observations of eight massive galaxy clusters (0.8–2 × 10$^{15}$ M$_{⊙}$) spanning a redshift range of 0.16–0.35. Employing a novel Sunyaev–Zel’dovich + X-ray fitting technique, we effectively constrain the thermodynamic properties of these clusters out to the virial radius. The resulting best-fit electron density, deprojected temperature, and deprojected pressure profiles are in good agreement with previous observations of massive clusters. For the majority of the cluster sample (five out of eight clusters), the entropy profiles exhibit a self-similar behavior near the virial radius. We further derive hydrostatic mass, gas mass, and gas fraction profiles for all clusters up to the virial radius. Comparing the enclosed gas fraction profiles with the universal gas fraction profile, we obtain nonthermal pressure fraction profiles for our cluster sample at >0.5R$_{500}$, demonstrating a steeper increase between R$_{500}$ and R$_{200}$ that is consistent with the hydrodynamical simulations. Our analysis yields nonthermal pressure fraction ranges of 8%–28% (median: 15% ± 11%) at R$_{500}$ and 21%–35% (median: 27% ± 12%) at R$_{200}$. Notably, weak-lensing mass measurements are available for only four clusters in our sample, and our recovered total cluster masses, after accounting for nonthermal pressure, are consistent with these measurements.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Carbon-loud SDSS BOSS type II quasars at z > 2: high-density gas or secondary production of carbon?

ABSTRACT We study the ultraviolet (UV) emission-line ratios of a sample of 145 type II quasars (QSO2s) from Sloan Digital Sky Survey iii Baryon Oscillation Spectroscopic Survey, and compare against a grid of active galactic nucleus (AGN) photoionization models with a range in gas density, gas chemical abundances, and ionization parameter. Most of the quasars are ‘carbon-loud’, with C iv/He ii ratios that are unusually high for the narrow-line region, implying higher than expected gas density (>106 cm−3) and/or significantly supersolar-relative carbon abundance. We also find that solar or supersolar nitrogen abundance and metallicity are required in the majority of our sample, with potentially significant variation between objects. Compared to radio galaxies at similar redshifts (HzRGs; z > 2), the QSO2s are offset to higher N v/He ii, C iv/He ii, and C iii]/He ii, suggesting systematically higher gas density and/or systematically higher C and N abundances. We find no evidence for a systematic difference in the N/C abundance ratio between the two types of objects. Scatter in the N iv]/C iv ratio implies a significant scatter in the N/C abundance ratio among the QSO2s and HzRGs, consistent with differences in the chemical enrichment histories between objects. Interestingly, we find that adopting secondary behaviour for both N and C alleviates the long-standing ‘N iv] problem’. A subset of the QSO2s and HzRGs also appear to be ‘silicon-loud’, with Si iii] relative fluxes suggesting Si/C and Si/O are an order of magnitude above their solar values. Finally, we propose new UV-line criteria to select genuine QSO2s with low-density narrow-line regions.

Silva, M.↗
DOE OSTI2021

X-ray diffraction, differential scanning calorimetry and evolved gas analysis of aged plutonium tetrafluoride (PuF4)

A 30 year-old PuF4 sample consisting of brown powder (PuF4-b) and pink granules (PuF4-p) was analyzed. X-ray difraction shows the bulk is comprised of three compounds: PuF4, PuO2, and PuF4·1.6H2O. Broadening of PuF4 XRD peaks suggests possible a-damage. After annealing at 650 °C, crystalline PuF4 and PuO2 remain. Thermogravimetric analysis and diferential scanning calorimetry—with simultaneous evolved gas analysis—of the separated PuF4-p and PuF4-b components reveal a distinct sequence of reactions. Dehydration occurs between~90 and 300 °C. Exothermic annealing of the a-damage occurs in two stages: at 350–355 °C and at 555–558 °C. Hydrofuoric acid, fuorine and helium desorb during the frst exotherm. Above 700 °C, PuF4 reacts with PuO2, resulting in oxygen release and mass loss.

PuF4, dsc, differential scanning calorimetry, plut↗
DOE OSTI2025

Fabrication of surrogate oxide spent fuel with various cracking patterns and design of an axial gas transport apparatus

In this article, understanding gas transport behavior in nuclear fuel rods is important for the design, performance, and safety of nuclear fuels. Surrogate materials help enable efficient research by reducing both the costs and the amount of time required. A parametric study using Darcy’s law is completed that demonstrates the feasibility of observing pressure decay over short 13-to-15-cm specimens to enable full characterization of the fabricated specimens using x-ray computed tomography. This paper demonstrates that thermally shocked and mechanically compressed alumina pellets produce surrogate samples whose various cracking patterns are representative of the severity of cracking observed as a function of burnup in irradiated nuclear fuels. Furthermore, image analyses of the cracking patterns—in conjunction with gas transport testing using surrogate samples—affords a valuable accelerated basis for developing gas transport simulations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

TRACER-Tethersonde VOC data

One objective of TRACER-Tethersonde campaign was to deploy a volatile organic compound (VOC) sampler on the Tethered Balloon System (TBS) to create vertical profiles and characterize VOC composition. Volatile organic compounds (VOCs) are highly reactive precursor species that undergo atmospheric processing to form secondary products, including aerosol. VOC emissions are influenced by many factors that include but are not limited to temperature, time of day, local anthropogenic activities, and local vegetation, which result in large spatiotemporal variability. The vertical distribution of volatile species is crucial for understanding gas-phase processing for particle production but challenging to accomplish using currently available sampling devices. The standalone sampler built during the campaign enabled the execution of robust experimental designs, including sample collection using resin tubes at multiple altitudes on subsequent flights. Following field sampling, resin tubes were transported back to Baylor University for chemical analysis using a Markes International thermal desorption unit coupled with a gas chromatograph-tandem mass spectrometer (Thermo Scientific). The target analyte list includes biogenic and anthropogenic VOCs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Impact of gas background on XFEL single-particle imaging

Abstract Single-particle imaging (SPI) using X-ray free-electron Lasers (XFELs) offers the potential to determine protein structures at high spatial and temporal resolutions without the need for crystallization or vitrification. However, the technique faces challenges due to weak diffraction signals from single proteins and significant background scattering from gases used for sample delivery. A recent observation of a diffraction pattern from an isolated GroEL protein complex Ekeberg T et al. (Light Sci Appl 13:15, 2024.https://doi.org/10.1038/274s41377-023-01352-7) had similar numbers of signal and background photons. Ongoing efforts aim to reduce the background created by sample delivery, with one approach replacing most of the used gas with helium Yenupuri T et al. (Sci Rep 14:4401, 2024.https://doi.org/10.1038/s41598-024-54605-9). In this study, we investigate the effects of a reduced background on the resolution limits for SPI of isolated proteins under different experiment conditions. As a test case, we used GroEL, and we used experimentally derived parameters for our simulations. We observe that background significantly impacts the achievable resolution, particularly when the signal strength is comparable to the background. This is best exemplified at 6.0 keV, where a background reduction by a factor of 10 leads to a resolution improvement from 1.9 to 1.2 nm, for a dataset of$$10^4$$patterns.

Science & Technology - Other Topics↗
DOE OSTI2023

X-Ray Emission of Ultraviolet Variable Active Galactic Nucleus Candidates

We analyze the X-ray properties of a sample of 23 high-probability active galactic nucleus (AGN) candidates with ultraviolet variability identified in Wasleske et al. Using data from the Chandra X-ray Observatory and XMM-Newton Observatory, we that find 11/23 nuclei are X-ray detected. We use spectral energy distribution modeling to compute star formation rates and show that the X-ray luminosities are typically in excess of the X-ray emission expected from star formation by at least an order of magnitude. Interestingly, this sample shows a diversity of optical spectroscopic properties. We explore possible reasons for why some objects lack optical spectroscopic signatures of black hole activity while still being UV-variable and X-ray bright. We find that host galaxy stellar emission and obscuration from gas and dust are potential factors. We study where this sample falls on relationships such as α OX - L 2500 and L X - L IR and find that some of the sample falls outside the typical scatter for these relations, indicating that they differ from the standard quasar population. With the diversity of optical spectroscopic signatures and varying impacts of dust and stellar emissions on our sample, these results emphasize the strength of variability in selecting the most complete set of AGN, regardless of other host galaxy properties.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Signatures of Inflowing Gas in Red Geyser Galaxies Hosting Radio Active Galactic Nuclei

We study cool neutral gas traced by NaD absorption in 140 local ($z$ < 0.1) early-type red geyser galaxies. These galaxies show unique signatures in spatially resolved strong line emission maps that have been interpreted as largescale active galactic nucleus–driven ionized winds. To investigate the possible fuel source for these winds, we examine the abundance and kinematics of cool gas ($T$ ~ 100–1000 K) inferred from Na I D absorption in red geysers and matched control samples drawn from the Sloan Digital Sky Survey IV Mapping Nearby Galaxies at Apache Point Observatory survey. We find that red geysers host greater amounts of NaD-associated material. Substantial cool gas components are detected in more than 50% of red geysers (compared to 25% of the control sample) going up to 78% for radio-detected red geysers. Our key result is that cool gas in red geysers is predominantly infalling. Among our 30 radio-detected red geysers, 86% show receding NaD absorption velocities (with respect to the systemic velocity) between 40 and 50 km s-1 . We verify this result by stacking NaD profiles across each sample, which confirms the presence of infalling NaD velocities within red geysers (~40 km s -1 ) with no velocity offsets detected in the control samples. Interpreting our observations as signatures of inflowing cool neutral clouds, we derive an approximate mass inflow rate of $\dot{M}$ in ~ 0.1$M$ ⊙ yr -1 , similar to that expected from minor merging and internal recycling. In conclusion, some red geysers show much higher rates ($\dot{M}$ in ~ 5$M$ ⊙ yr -1 ), which may indicate an ongoing accretion event.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Pericentric passage-driven star formation in satellite galaxies and their hosts: CLUES from local group simulations

Local Group satellite galaxies show a wide diversity of star formation histories (SFHs) whose origin is yet to be fully understood. Using hydrodynamical simulations from the Constrained Local UniversE project, we study the SFHs of satellites of Milky Way-like galaxies in a cosmological context: while in the majority of the cases the accretion on to their host galaxy causes the satellites to lose their gas, with a subsequent suppression in SF, in about 25 per cent of our sample we observe a clear enhancement of SF after infall. Peaks in SF clearly correlate with the satellite pericentric passage around its host and, in one case, with a satellite–satellite interaction. We identify two key ingredients that result in enhanced SF after infall: galaxies must enter the host’s virial radius with a reservoir of cold gas M gas , inf/M vir , inf ≳ 10 -2 and with a minimum pericentric distance ≳10 kpc (mean distance ~50 kpc for the full sample), in order to form new stars due to compression of cold gas at pericentric passage. On the other hand, satellites that infall with little gas or whose pericentric distance is too small, have their gas ram-pressure stripped and subsequent SF quenched. The pericentric passage of satellites likewise correlates with SF peaks in their hosts, suggesting that this mechanism induces bursts of SF in satellites and central galaxies alike, in agreement with recent studies of our Galaxy’s SFH. Our research findings can explain the recently reported multiple stellar populations observed in dwarf galaxies such as Carina and Fornax, and should be taken into account in semi-analytic models of galaxy formation and satellite quenching.

79 ASTRONOMY AND ASTROPHYSICS↗