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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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80 records · Page 5

The C 2 H 4 O isomers in the oxidation of ethylene

A combined rotational spectroscopy, thermochemistry, and kinetic modeling study explores the mechanism of acetaldehyde (ethanal), vinyl alcohol (ethenol), and ethylene oxide (oxirane) formation in the oxidation of ethylene (ethene). Multiplexed quantitative detection of oxidation intermediates and products exiting a SiO 2 / SiC microreactor at 1700 K is demonstrated with the BrightSpec W-band chirped-pulse Fourier transform millimeter-wave spectrometer. The broadband rotational spectrum contains transitions of formaldehyde (CH 2 O), methoxy (CH 3 O), methanol (CH 3 OH), ketene (CH 2 CO), acetaldehyde (CH 3 CHO), syn-vinyl alcohol (syn- CH 2 CHOH), anti-vinyl alcohol (anti-CH 2 CHOH), oxirane (c-CH 2 OCH 2 ), propyne (CH 3 CCH), and syn-propanal (syn-CH 3 CH 2 CHO). We focus on the three C 2 H 4 O species and deduce their concentration ratio [CH 3 CHO]:[CH 2 CHOH]:[c-CH 2 OCH 2 ] = 1:0.7(2):0.06(2) by comparing the observed line intensities to those simulated with the PGOPHER software. Detailed thermochemistry of the C 2 H 4 O isomers and conformers is provided by Active Thermochemical Tables. The observed excess concentrations of vinyl alcohol and oxirane relative to the more stable acetaldehyde compared to the equilibrium ratio at 1700 K (1:0.087:0.000024), point to direct chemical pathways to these higher energy isomers. The mechanism for the formation of the three C 2 H 4 O isomers is analyzed using a 0-D homogenous reactor kinetics simulation for ethylene oxidation. The ratios of the C 2 H 4 O isomers concentrations predicted by the kinetic model are compared to the experimental values.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

MARSAME Radiological Release Report for Metal Items from Technical Area 53, Set 28

Environmental Protection and Compliance, Environmental Stewardship Group (EPC-ES) has evaluated the survey results for metal items from the Los Alamos Neutron Science Center (LANSCE) at Technical Area 53 (TA-53) and found that the metal items described in Table 1 of this report (identified by Radiation Protection [RP] Tracking Numbers) meet the criteria for unrestricted release under Department of Energy (DOE) Order 458.1 Chg 4, Radiation Protection of the Public and the Environment (DOE 2020) and can be recycled. This conclusion is based on the known history of the metal items and radiation survey data (see the completed RP-Form-031 LANSCE Metals Clearance Log [LANL 2021a] for each item in Attachment 1). Process knowledge indicates that items were released from radiological areas, including radiation areas, prior to the implementation of the 2000 metals moratorium. Therefore, the items are considered unencumbered and are not subject to the moratorium suspension on metal recycling from DOE facilities. Additionally, Los Alamos National Laboratory (LANL) has determined that there is no practical opportunity for internal DOE reuse of this metal. Process knowledge indicates that these metal items were unlikely to ever be in direct contact with the beam and thus are unlikely to have become activated. Surface contamination measurements (both total and removable) showed either no detectable radioactivity or activity levels within the range of background. All measurements for volumetric contamination were indistinguishable from background based on calculated decision limits. Additionally, all gamma isotopic surveys conducted for defense-in depth showed no identifiable gamma radiation from beam activation.

61 RADIATION PROTECTION AND DOSIMETRY↗

Hyaloscypha finlandica Metabolome Repository

This repository provides the curated data tables, manuscript figure and table exports, dependency records, and workflow scripts supporting an integrated comparative genomics and untargeted LC-MS/MS metabolomics analysis of Hyaloscypha finlandica strain PMI 746, a root-associated dark septate endophyte of poplar. The repository includes genome-mining summaries from antiSMASH, FunBGCeX, BGC-Prophet, and BiG-SCAPE; processed metabolomics inputs; metabolite annotation evidence; statistical outputs; and publication-facing figures and tables. Raw LC-MS/MS spectra, full genome/protein downloads, and large generated tool outputs are referenced through public archive/accession records and are not stored in Git.

59 BASIC BIOLOGICAL SCIENCES↗

Hot Degenerates in the MCT Survey. III. A Sample of White Dwarf Stars in the Southern Hemisphere

Here, we present optical spectra of 144 white dwarfs detected in the Montreal–Cambridge–Tololo colorimetric survey, including 120 DA, 12 DB, 4 DO, 1 DQ, and 7 DC stars. We also perform a model atmosphere analysis of all objects in our sample using the so-called spectroscopic technique, or the photometric technique in the case of DC white dwarfs. The main objective of this paper is to contribute to the ongoing effort of confirming spectroscopically all white dwarf candidates in the Gaia survey, in particular in the southern hemisphere. All our spectra are made available in the Montreal White Dwarf Database.

79 ASTRONOMY AND ASTROPHYSICS↗

Videos, photos, and AI-derived grain size data associated with “High-throughput AI Video Surveys Enable Reproducible Multiscale Sediment Size Mapping, with Implications for Hydrobiogeochemical Parameterization”

NOTE: The manuscript associated with this data package is currently in review. The data may be revised based on reviewer feedback. Upon manuscript acceptance, this data package will be updated with the final dataset and additional metadata. This data package is associated with the manuscript “High-throughput AI Video Surveys Enable Reproducible Multiscale Sediment Size Mapping, with Implications for Hydrobiogeochemical Parameterization” under review. This data package includes five data types: 1) raw photos and videos from drone survey and walking smartphone surveys; 2) images derived from raw videos; 3) manual labeling of reference scales; 4) metadata for all images and photo resolution derived from artificial intelligence (AI) models or manual labels, 5) grain size data obtained from AI models for all photos, 6) metadata and grain size data after quality control, 7) summaries of sample efficiency for all data, and 8) computational fluid dynamics (CFD) data used to support hydro-biogeochemical (HBGC) parameter estimation. Such data is used to 1) demonstrate significant improvements in accuracy, efficiency, and quality control for grain size data collection with the help of AI models, 2) study the spatial heterogeneity of grain size and observation reproducibility based on tens of thousands of data points generated by the AI models, and 3) evaluate the impacts of grain size heterogeneity on key HBGC parameters across sediment-to-reach and hourly-to-yearly scales. In particular, the data package contains 116 folders and 179696 files. The files include 41 videos in .mov format, 64047 photos in .jpg format, 13541 video-derived photos in .png format, 12747 segmentation mask data in .tif format, 12747 segmentation data in .json format, 24771 .csv files that with metadata and grain size for each individual photo as well as water depth and velocity data from CFD and observation, 51791 .txt files of raw AI predicted labels, and 11 flight record data in .srt format. The summary for all metadata and grain size statistics information is included in “Scales_V3_NG.csv” and “Statistics_V3_NG.csv”. The summary for data that pass data quality control (QC) level 0-2 is included in “QCStatistics_V3_NG.csv”. The QC level 0 represents photos whose photo resolution is positive, excluding photos that miss reference scale. The QC level 1 means reference scale circularity uncertainty is less than 5% for smartphone images while representing photo resolution is larger than 0.44 mm/pixel for drone images. The QC level 2 means excluding photos whose grain number is less than 100, a minimum number of grains recommended by classic literature. The summary for each video’s name, length, frame rates, survey area, grain number, survey efficiency, etc. can be found in “QCSummary_V3_NG.csv”. The summary for site name, GPS coordinates, and number of images at each site can be found in “SitesSummary_V3_*.csv” files. Overall computational efficiency summary is reported in Table 4 of accompanying manuscript. Additionally, the nitrate concentration data used in this work was downloaded from an existing dataset published on ESS-DIVE (Boat-Dragged Sensor Hanford Reach.csv; Conner A. et al., 2020). We thank the United States Forest Service, Washington Department of Fish and Wildlife, Washington Department of Natural Resources, Cowiche Canyon Conservatory, Port of Benton, and the Confederated Tribes and Bands of the Yakama Nation for access to field locations where the data were collected. We also thank the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate data collection and optimization of data usage according to their values and worldview.

54 ENVIRONMENTAL SCIENCES↗

The Exploration of Local VolumE Satellites (ELVES) Survey: A Nearly Volume-limited Sample of Nearby Dwarf Satellite Systems

We present the final sample of the Exploration of Local VolumE Satellites (ELVES) survey, a survey of the dwarf satellites of a nearly volume-limited sample of Milky Way (MW)-like hosts in the Local Volume. Hosts are selected simply via a cut in luminosity (${M}_{{K}_{s}}\lt -22.1$ mag) and distance (D < 12 Mpc). We cataloged the satellites of 25 of the 31 such hosts, with another five taken from the literature. All hosts are surveyed out to at least 150 projected kpc ( ~ R vir /2), with the majority surveyed to 300 kpc ( ~ R vir ). Satellites are detected using a consistent semiautomated algorithm specialized for low surface brightness dwarfs. As shown through extensive tests with injected galaxies, the catalogs are complete to M V ~ -9 mag and μ 0,V ~ 26.5 mag arcsec -2 . Candidates are confirmed to be real satellites through distance measurements including redshift, tip of the red giant branch, and surface brightness fluctuations. Across all 30 surveyed hosts, there are 338 confirmed satellites with M V < -9 mag, with a further 106 candidates awaiting distance measurement. For the vast majority of these, we provide consistent multiband Sérsic photometry. We show that satellite abundance correlates with host mass, with the MW being quite typical among comparable systems, and that satellite quenched fraction rises steeply with decreasing satellite mass, mirroring the quenched fraction for the MW and M31. The ELVES survey represents a massive increase in the statistics of surveyed systems with known completeness, and the provided catalogs are a unique data set to explore various aspects of small-scale structure and dwarf galaxy evolution.

79 ASTRONOMY AND ASTROPHYSICS↗

National Emission Standards for Hazardous Air Pollutants – Radionuclide Emissions Calendar Year 2020

The U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Field Office (NNSA/NFO) operates the Nevada National Security Site (NNSS) and the North Las Vegas Facility (NLVF). From 1951 through 1992, the NNSS was the continental testing location for U.S. nuclear weapons. Radionuclides in air from NNSS activities have been monitored since the initiation of atmospheric testing. After 1962, testing was limited to underground detonations, which greatly reduced radiation exposure to the public. Since the end of nuclear testing in 1992, radiation monitoring has focused on detecting airborne radionuclides from historically contaminated soils because this sources dominates the potential offsite dose. These radionuclides are derived from re-suspension of soil (primarily by wind) and emission of tritium-contaminated soil moisture through evapotranspiration. Low amounts of legacy-related tritium are also emitted to air at the NLVF, an NNSS support complex in North Las Vegas. To protect the public from harmful levels of manmade radiation, the Clean Air Act, National Emission Standards for Hazardous Air Pollutants (NESHAP), specifically the National Emission Standards for Emissions of Radionuclides Other Than Radon From Department of Energy Facilities (40 CFR 61, Subpart H, 2020) limits the release of radioactivity from a DOE facility to that which would cause 10 millirem per year (mrem/y) effective dose equivalent (EDE) to any member of the public. This limit does not include radiation unrelated to NNSS activities. Unrelated doses could come from naturally occurring radioactive elements, from sources such as medically or commercially used radionuclides, or from sources outside of the United States, such as Japan’s Fukushima nuclear power plant, which was damaged in 2011. NNSA/NFO demonstrates compliance with the NESHAP limit by reporting environmental measurements of radionuclide air concentrations at critical receptor locations on the NNSS. This alternative was proposed and formerly submitted to the U.S. Environmental Protection Agency (EPA) in 2001 (EPA 2001a) and has been the method used to demonstrate compliance with the 40 CFR 61.92 dose standard since 2005. Six locations on the NNSS have been established to act as critical receptor locations to demonstrate compliance with the NESHAP limit. These locations are closer to radionuclide releases than where the public resides so they act as protective substitutes for public receptor locations. Compliance is demonstrated if the measured annual average concentration is less than the NESHAP Concentration Level (CL) for Environmental Compliance listed in Table 2 of 40 CFR 61, Appendix E. For multiple radionuclides, compliance is demonstrated when the sum of the fractions (determined by dividing each radionuclide’s concentration by its CL and then adding the fractions together) is less than 1.0. The EPAapproved air transport model, called the Clean Air Package 1988 (CAP88-PC) is also used to calculate the effective dose equivalent to the maximally exposed individual from NNSS air emissions. CAP88-PC was also used to calculate the population dose, or the collective EDE (expressed as person-rem [roentgen equivalent man] per year [person-rem/y]) for all individuals combined who reside within 80 kilometers (km) of NNSS emission sources. In 2020, the potential dose from radiological emissions to air from both current and past NNSS activities was well below the 10 mrem/y dose limit. This is demonstrated by both the air sampling data collected at critical receptor air monitoring stations and CAP88-PC modeling. The average concentrations of radioactivity at air critical receptor stations ranged from 0.2% to a maximum of 4.2% of the allowed NESHAP limit. CAP88-PC modeling of all 2020 NNSS radionuclide emissions showed the maximally exposed individual to be in Amargosa Valley and this individual received a potential dose of 0.063 mrem/y. The collective dose was calculated to be 0.29 person-rem/year for the 521,300 people who lived within 80 km of NNSS emission sources.

99 GENERAL AND MISCELLANEOUS↗

A review of NEST models for liquid xenon and an exhaustive comparison with other approaches

This paper discusses the microphysical simulation of interactions in liquid xenon, the active detector medium in many leading rare-event searches for new physics, and describes experimental observables useful for understanding detector performance. The scintillation and ionization yield distributions for signal and background are presented using the Noble Element Simulation Technique (NEST), a toolkit based on experimental data and simple empirical formulas, which mimic previous microphysics modeling but are guided by data. The NEST models for light and charge production as a function of the particle type, energy, and electric field are reviewed, along with models for energy resolution and final pulse areas. NEST is compared with other models or sets of models and validated against real data, with several specific examples drawn from XENON, ZEPLIN, LUX, LZ, PandaX, and table-top experiments used for calibrations.

WIMPs↗