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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Fission In R-process Elements (FY20 Q2 Quarterly Report)

The goal of the FIRE topical collaboration in nuclear theory is to determine the astrophysical conditions of the rapid neutron capture process (r-process), which is responsible for the formation of heavy elements. This will be achieved by including in r-process simulations the most advanced models of fission (spontaneous, neutron-induced, β-delayed) that have been developed at LLNL and LANL. The collaboration is composed of LLNL (lead) and LANL for fission work, BNL for nuclear data management, and the university of Notre Dame and North Carolina State University for r-process simulations. Under DOE/NNSA agreement, both universities receive funds from DOE Office of Science, while national laboratories receive funds directly from NA221.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Fission In R-process Elements (Q4 FY2020 Quarterly Report)

The goal of the FIRE topical collaboration in nuclear theory is to determine the astrophysical conditions of the rapid neutron capture process (r-process), which is responsible for the formation of heavy elements. This will be achieved by including in r-process simulations the most advanced models of fission (spontaneous, neutron-induced, β-delayed) that have been developed at LLNL and LANL. The collaboration is composed of LLNL (lead) and LANL for fission work, BNL for nuclear data management, and the university of Notre Dame and North Carolina State University for r-process simulations. Under DOE/NNSA agreement, both universities receive funds from DOE Office of Science, while national laboratories receive funds directly from NA221.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Targeting Aspergillus allergen oryzin with a chemical probe at atomic precision

We report the molecular basis of Aspergillus fumigatus oryzin, allergen Asp f 13, or alkaline proteinase ALP1, containing the sequence motif His–Asp–Ser of the subtilisin family, structure, and function at atomic detail. Given the resolution of the data (1.06 Å), we use fragment molecular replacement with ideal polyalanine α-helices to determine the first crystal structure of oryzin. We probe the catalytic serine through formation of an irreversible bond to a small molecule compound, specifically labeling it, describing the amino acid residues performing the catalytic function. Defined by a self-processed pro-peptide, the active site architecture shapes up pocket-like subsites that bind to and unveil the S1′–S4′ substrate binding preferences. We use molecular modeling to dock a model of the pro-peptide in the S1–S4 region and to dock collagen along the active site cleft. Opposite to the face harboring the catalytic serine, the enzyme binds to a calcium ion in a binding site created by backbone flipping. We use thermal unfolding to show that this metal ion provides structural stability. With no known host inhibitor identified thus far, this structure may hasten the progress of developing new therapeutic agents for diseases caused by pathogenic fungi.

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

Constraining Bedrock Groundwater Residence Times in a Mountain System with Environmental Tracer Observations and Bayesian Uncertainty Quantification: Modeling and Data Package

Groundwater residence times provide fundamental descriptions of hydrologic dynamics and mixing processes in mountainous watersheds. Yet, few observational datasets that can constrain groundwater residence times over broad timescales are available in high elevation mountain systems. Here we present field observations from May 2021 of dissolved noble gases (He, Ne, Ar, Kr, and Xe), Chloroflourcarbons (CFCs), Sulfurhexaflouride (SF6), and tritium (3H) sampled from the Pumphouse Lower Montane study site (wells PLM1, PLM6, and PLM7) within the East River Watershed, Colorado. The presented noble gas (PLM_noblegas_2021.csv) and environmental tracer (PLM_tracers_2021.csv) observation datasets, along with the associated modeling scripts, aide in quantifying groundwater residence times and recharge conditions in a high elevation mountain system. Furthermore, the modeling scripts quantify groundwater residence time and noble gas recharge condition uncertainties using a novel Markov-chain Monte Carlo approach. All data modeling scripts are written in the Python code.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Mineralogy of floodplain sediments from Meanders C, O, and Z in the East River Watershed, CO, USA

This dataset includes bulk X-ray diffraction data from floodplain sediments collected as a part of the Watershed Function Scientific Focus Area (SFA) located in the Upper Colorado River Basin. The data were collected in order to investigate the role of biogeochemical cycling and other river corridor processes on riverine export of solutes. Sediment cores were collected from Meander C, Meander O, and Meander Z in July 2016 to September 2017 to depths of approximately 40-95 cm. Sample metadata including locations, depths, and sample dates are included in a csv file ("sample_list_and_locations.csv"). The file "diffraction_data.csv" contains raw diffraction data, and mineral quantification is in the file "mineral_abundance.csv". This dataset also includes a file-level metadata (flmd.csv) file that lists each file contained in the dataset with associated metadata and a data dictionary (dd.csv) file that contains column/row headers used throughout the files along with a definition, units, and data type.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Fission In R-process Elements (FIRE) - Quarterly Report (Q2FY22)

The goal of the FIRE topical collaboration in nuclear theory was to determine the astrophysical conditions of the rapid neutron capture process (r-process), which is responsible for the formation of heavy elements. This was be achieved by including in r-process simulations the most advanced models of fission (spontaneous, neutron-induced, β-delayed) that have been developed at LLNL and LANL. The collaboration was composed of LLNL (lead) and LANL for fission work, BNL for nuclear data management, and the university of Notre Dame and North Carolina State University for r-process simulations. Under DOE/NNSA agreement, both universities received funds from DOE Office of Science, while national laboratories receive funds directly from NA221.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Fission In R-process Elements (FIRE) (NA-22 Quarterly Report, Q4FY22)

The goal of the FIRE topical collaboration in nuclear theory was to determine the astrophysical conditions of the rapid neutron capture process (r-process), which is responsible for the formation of heavy elements. This was be achieved by including in r-process simulations the most advanced models of fission (spontaneous, neutron-induced, β-delayed) that have been developed at LLNL and LANL. The collaboration was composed of LLNL (lead) and LANL for fission work, BNL for nuclear data management, and the university of Notre Dame and North Carolina State University for r-process simulations. Under DOE/NNSA agreement, both universities received funds from DOE Office of Science, while national laboratories receive funds directly from NA221.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Galaxy zoo builder: Morphological dependence of spiral galaxy pitch angle

ABSTRACT Spiral structure is ubiquitous in the Universe, and the pitch angle of arms in spiral galaxies provide an important observable in efforts to discriminate between different mechanisms of spiral arm formation and evolution. In this paper, we present a hierarchical Bayesian approach to galaxy pitch angle determination, using spiral arm data obtained through the Galaxy Builder citizen science project. We present a new approach to deal with the large variations in pitch angle between different arms in a single galaxy, which obtains full posterior distributions on parameters. We make use of our pitch angles to examine previously reported links between bulge and bar strength and pitch angle, finding no correlation in our data (with a caveat that we use observational proxies for both bulge size and bar strength which differ from other work). We test a recent model for spiral arm winding, which predicts uniformity of the cotangent of pitch angle between some unknown upper and lower limits, finding our observations are consistent with this model of transient and recurrent spiral pitch angle as long as the pitch angle at which most winding spirals dissipate or disappear is larger than 10°.

Lingard, Timothy↗
DOE OSTI2020

Investigating Secondary Aerosol Processes in the Amazon through Molecular-level Characterization of Semi-Volatile Organics

In areas where biogenic emissions are oxidized in the presence of anthropogenic pollutants, it has become increasingly apparent that secondary organic aerosol (SOA) formation from biogenic volatile organic compounds (BVOCs) is substantially enhanced. The Amazon forest is the dominant source of BVOCs globally, and the forest is rapidly being converted to urban and agricultural uses. We participated in a collaborative field study located in the Amazon region around Manaus, Brazil, in 2014 (Green Ocean Amazon; GoAmazon). This study was designed to comprehensively examine how BVOC emissions (specifically, the most highly emitted non-methane hydrocarbon, isoprene, and lesser studied sesquiterpenes) and their interaction with anthropogenic pollution (i.e., nitrogen oxides, sulfur dioxide, and black carbon) alter the atmosphere’s oxidative capacity, influence secondary aerosol formation, atmospheric composition and, ultimately, affect the earth’s radiation balance and climate. We provide the first hourly, in-situ measurement of 30 sesquiterpenes and 4 diterpenes, roughly estimating that sesquiterpene oxidation contributes to 10-14% of ozone reactive loss by terpenes and at least 0.4–5% (median 1 %) of total submicron OA mass. However, this is likely a low-end estimate, as evidence for additional unaccounted sesquiterpenes and their oxidation products clearly exists. We also provide new perspectives on sulfate, NO x , and particle acidity influencing isoprene-derived SOA, comparing the central Amazon environment with Southeastern U.S.A. summer, representing clean to polluted conditions, respectively. We find that summed concentrations of isoprene-derived SOA tracers correlated with particulate sulfate spanning three orders of magnitude, suggesting that 1 μg m -3 reduction in sulfate corresponds with at least ~0.5 μg m -3 reduction in isoprene-derived SOA. We also find that SOA mass derived from isoprene oxidation in the presence of NO x is primarily comprised of aerosol sulfate bound with isoprene oxidation products (i.e. organosulfates), ~97% in the Amazon and ~55% in the Southeastern U.S. We infer under natural conditions in high isoprene emission regions, preindustrial aerosol sulfate was almost exclusively isoprene-derived organosulfates, which are traditionally thought as representative of anthropogenic influence. We further report the first field observations showing that particle acidity impacts the distribution of isoprene oxidation tracers in the gas and particle phases, providing physicochemical insight into isoprene SOA formation chemistry. Coupled with other co-located measurements by the DOE Atmospheric Radiation Measurement (ARM) team and collaborating PIs at our measurement site (called T3), on the G1 aircraft, and at additional field sites (T0, T1, T2) this data set has been used to understand emission, oxidation, and particle formation pathways at the molecular level, to elucidate how these pathways change when influenced by anthropogenic sources, and to evaluate their importance for the atmospheric budget of aerosols and the earth’s radiation balance on regional scales. Recommendations: Further constraint of the role of sesquiterpenes on ozone (O 3 ) reactivity and SOA formation is limited by the availability of authentic standards and synthesized compounds of sesquiterpenes and their oxidation products. Future research efforts should focus on making such standards available via custom synthesis to allow for accurate quantification and focused oxidation experiments that will fully elucidate the chemistry of these compounds in the atmosphere. Further, reductions in aerosol sulfate (via SO 2 emissions control) continues to be one of the most effective methods to reduce SOA formation from isoprene, but the concerted role of ammonia (NH 3 ) gas emissions from (agricultural) industry and other sources requires more investigation to better understand the role of aerosol acidity in SOA formation and potential controls. As GoAmazon particles can be more acidic compared to areas with greater anthropogenic NH 3 emissions, this promotes relatively greater organosulfate (OS) formation from isoprene even in the presence of NO x . Because OS and inorganic sulfate differ in water uptake properties, this implies preindustrial aerosol sulfate (albeit less abundant) may have been less reflective than current earth system models assume. Further research should investigate the radiative impacts of organic vs inorganic sulfate in aerosols to improve model representation. Finally, future work (currently underway) should include constraint of the contributions of monoterpene (C 10 H 16 ) BVOCs and biomass burning VOCs as precursors to SOA formation in the region as well as their impacts on radiative forcing in the climate system.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

GLIDR promotes the progression of glioma by regulating the miR-4677-3p/MAGI2 axis

Gliomas are the most common and fatal primary brain tumors. Growing evidence suggests that long non-coding RNAs (lncRNAs) constitute novel and potential therapeutic targets for glioma. However, the biological role of glioblastoma down-regulated RNA (GLIDR) in glioma remains largely elusive. In the current study, we used quantitative real-time polymerase chain reaction (qRT-PCR) to detect GLIDR expression in glioma cells. Cell counting kit 8 (CCK-8) assay, colony formation assay, JC-1 staining, and flow cytometry were used to evaluate the role of GLIDR in proliferation and apoptosis of glioma cells. Western blotting was performed to assess the effect of GLIDR on the level of apoptosis-related proteins. In addition, bioinformatics prediction, RNA immunoprecipitation (RIP), RNA pull-down, and luciferase reporter gene assays were used to study the regulatory mechanisms of GLIDR in glioma. GLIDR was found to be highly expressed in glioma cells and silencing of GLIDR inhibited cell proliferation and promoted apoptosis. Functionally, GLIDR bound to miR-4677-3p that directly targeted membrane-associated guanylate kinase, WW, and PDZ domain-containing protein 2 (MAGI2). Our data showed that GLIDR affects the proliferation and apoptosis of glioma cells by targeting miR-4677-3p to regulate the expression of MAGI2. In conclusion, our study determined the oncogenic role of GLIDR in glioma, which may provide a new perspective for the treatment of glioma.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Surrogate Modelling of 3rd Integer Resonant Extraction at Fermilab Delivery Ring

We present an ongoing work in which a surrogate model is being developed to reproduce the response dynamics of the third-integer resonant extraction process in the Delivery Ring (DR) at Fermilab. This effort is in pursuit of smoothly extracting circulating beam to the Mu2e Experiment s production target, wherein the goal is to extract a uniform slice of the circulating $1e12$ protons in the DR over 25,000 turns (43~ms). The DR contains 3 harmonic sextupoles which excite a third-integer resonance as well as three fast, tune-ramping quadrupole magnets which drive the horizontal tune towards the $29/3$ resonance. In our initial work the surrogate model trains on a semi-analytical simulation provided in the same format as live data. Using Reinforcement Learning (and other potential ML methods), the trained surrogate acts as the environment in which a simple ML control agent could learn to dynamically adjust the quadrupole ramp at 430 break points within the 43 microsecond spill window. The control agent will be hosted on a dedicated Arria 10 FPGA, introducing its own requirements on control agent architecture. In this work we report the accuracy and fidelity of surrogate models in comparison to the response dynamics of the physics simulator.

Narayanan, Aakaash [Fermilab] (ORCID:0000000157944↗
DOE OSTI2024

The Galaxy–Galaxy Strong Lensing Cross Section and the Internal Distribution of Matter in ΛCDM Substructure

Abstract Strong gravitational lensing offers a powerful probe of the detailed distribution of matter in lenses, while magnifying and bringing faint background sources into view. Observed strong lensing by massive galaxy clusters, which are often in complex dynamical states, has also been used to map their dark matter (DM) substructures on smaller scales. Deep high-resolution imaging has revealed the presence of strong lensing events associated with these substructures, namely galaxy-scale sub-halos. However, an inventory of these observed galaxy–galaxy strong lensing (GGSL) events is noted to be discrepant with state-of-the-art ΛCDM simulations. Cluster sub-halos appear to be over-concentrated compared to their simulated counterparts yielding an order-of-magnitude higher value of GGSL. In this paper, we explore the possibility of resolving this observed discrepancy by redistributing the mass within observed cluster sub-halos in ways that are consistent within the ΛCDM paradigm of structure formation. Lensing mass reconstructions from data provide constraints on the mass enclosed within apertures and are agnostic to the detailed mass profile within them. Therefore, as the detailed density profile within cluster sub-halos currently remains unconstrained by data, we are afforded the freedom to redistribute the enclosed mass. We investigate if rearranging the mass to a more centrally concentrated density profile helps alleviate the GGSL discrepancy. We report that refitting cluster sub-halos to the ubiquitous ΛCDM-motivated Navarro–Frenk–White profile, and further modifying them to include significant baryonic components, does not resolve this tension. A resolution to this persisting GGSL discrepancy may require more careful exploration of alternative DM models.

Astronomy & Astrophysics↗
DOE OSTI2026

Hubble Space Telescope Imaging of Three Isolated Faint Dwarf Galaxies beyond the Local Group: Pavo, Corvus A, and Kamino

We present new Hubble Space Telescope (HST) imaging of three recently discovered star-forming dwarf galaxies beyond the Local Group: Pavo, Corvus A, and Kamino. The discovery of Kamino is reported here for the first time. They rank among the most isolated faint dwarf galaxies known; hence they provide unique opportunities to study galaxy evolution at the smallest scales, free from the environmental effects of more massive galaxies. Our HST data reach ∼2–4 magnitudes below the tip of the red giant branch (TRGB) for each dwarf, allowing us to measure their distances, structural properties, and recent star formation histories (SFHs). All three galaxies contain a complex stellar population of young and old stars, and are typical of field galaxies in this mass regime (M V = −10.62 ± 0.08 and $D = 2.16_{-0.07}^{+0.08}$ Mpc for Pavo, M V = −10.91 ± 0.10 and D = 3.34 ± 0.11 Mpc for Corvus A, and M V = −12.02 ± 0.12 and $D = 6.50_{-0.11}^{+0.15}$ Mpc for Kamino). Our HST-derived SFHs reveal differences among the three dwarfs: Pavo and Kamino show relatively steady, continuous star formation, while Corvus A formed ∼60% of its stellar mass by 10 Gyr ago. These results align with theoretical predictions of diverse evolutionary pathways for isolated low-mass galaxies.

Mutlu-Pakdil, Burçin [Dartmouth College, Hanover, ↗
DOE OSTI2025

Carbon Utilization and Storage Partnership of the Western United States

This technical report documents research conducted under DOE Award No. DE-FE0031837 focused on evaluating the feasibility of carbon capture, utilization, and storage (CCUS) systems in the central and western United States. The project integrated geologic characterization, reservoir simulation, infrastructure modeling, and economic analysis to assess CO₂ storage potential near industrial sources and develop strategies for transport and sequestration. The work included subsurface modeling, risk assessment, monitoring and verification (MRV) planning, and evaluation of regulatory pathways such as EPA Underground Injection Control (UIC) Class VI permitting and IRS 45Q tax credit eligibility. Results demonstrate the viability of multiple storage approaches, including saline formations, enhanced coalbed methane recovery, and basalt mineralization, supported by data-driven workflows and regional analyses. The project also produced permitting templates, technology transfer activities, and stakeholder engagement efforts to support deployment readiness. These findings contribute to the development of scalable, economically viable CCUS systems and provide a repeatable framework for future carbon management projects.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2020

Evidence of Alpha Radiolysis in the Formation of a Californium Nitrate Complex

Well-characterized complexes of transplutonium elements are scarce because of the experimental challenges of working with these elements and the rarity of the isotopes. This leads to a lack of structural and spectroscopic data needed to understand the nature of chemical bonds in these compounds. In this work, the synthesis of Cf(DOPO q ) 2 (NO 3 )(py) (DOPO q =2,4,6,8-tetra-tert-butyl-1-oxo-1H-phenoxazin-9-olate; py=pyridine) is reported, in which the nitrate anion is hypothesized to form through the α-radiolysis-induced reaction of pyridine and/or the ligand. Here, computational analysis of the electronic structure of the complex reveals that the Cf III –ligand interactions are largely ionic.

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

Soil moisture and temperature from 2019 to 2024 along northeast- and southwest-facing hillslopes at the Lower Montane site in the East River Watershed, Colorado

Soil moisture, temperature, and electrical conductivity have been monitored at multiple depths (between 10 and 50 cm) at 4 locations along a northeast-facing slope and 3 locations on the opposite southwest-facing slope at the Lower Montane site in the East River Watershed, Colorado, from Oct 2019 to Oct 2024. The purpose of this data is to inform hydro-biogeochemical analyses for the Watershed Function Scientific Focus Area (SFA). Two locations on the northeast-facing slope were reinstalled in 2020 due to damage from wildlife, and thus data for these sites are provided in two distinct files. Overall, the data are reported in 9 CSV files containing the measurements, and the locations are provided in the Sensor_Location.csv file. There is a total of 10 *.csv data files and 3 *.csv metadata files. Older datasets associated with the northeast-facing slope are provided in another archive (see reference). These data products are part of the Watershed Function Scientific Focus Area collection effort to further scientific understanding of biogeochemical dynamics from genome to watershed scales. Feel free to contact the author with any questions or collaboration interests.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Genesis of Active Pt/CeO 2 Catalyst for Dry Reforming of Methane by Reduction and Aggregation of Isolated Platinum Atoms into Clusters

Atomically dispersed metal catalysts offer the advantages of efficient metal utilization and high selectivities for reactions of technological importance. Such catalysts have been suggested to be strong candidates for dry reforming of methane (DRM), offering prospects of high selectivity for synthesis gas without coke formation, which requires ensembles of metal sites and is a challenge to overcome in DRM catalysis. However, investigations of the structures of isolated metal sites on metal oxide supports under DRM conditions are lacking, and the catalytically active sites remain undetermined. Data characterizing the DRM reaction-driven structural evolution of a cerium oxide- supported catalyst, initially incorporating atomically dispersed platinum, and the corresponding changes in catalyst performance are reported. X-ray absorption and infrared spectra show that the reduction and agglomeration of isolated cationic platinum atoms to form small platinum clusters/nanoparticles are necessary for DRM activity. Density functional theory calculations of the energy barriers for methane dissociation on atomically dispersed platinum and on platinum clusters support these observations. Here the results emphasize the need for in-operando experiments to assess the active sites in such catalysts. The inferences about the catalytically active species are suggested to pertain to a broad class of catalytic conversions involving the rate-limiting dissociation of light alkanes.

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

Above room temperature multiferroic and magnetoelectric properties of (1‐Φ) PZTFT‐Φ CZFMO particulate composites

Magnetoelectric (ME) composites of suitable ferroelectric and magnetic materials can display elevated magnetic and ferroelectric operational temperatures, along with substantial ME coupling, compared to conventional single-phase multiferroics. Herein, we describe the synthesis of (1-Φ) PZTFT-Φ CZFMO, Φ = 0.1, 0.2, 0.3 (PZTFT: [0.6(PbZr 0.53 Ti 0.47 O 3 )–0.4(PbFe 0.5 Ta 0.5 )O 3 ] CZFMO: Co 0.6 Zn 0.4 Fe 1.7 Mn 0.3 O 4 )] particulate (0–3) composites and report on the magnetic as well as ferroelectric phase transitions and magnetoelectric coupling. The phase formation and the induced strain in these composites are investigated via Raman spectroscopy. A large bifurcation of the zero-field cooled-field cooled magnetization curves confirms the highly anisotropic behavior of the composites. These curves also identify spin glass behavior in the CZFMO phase at ≈230 K. The magnetic phase transition of the composite (Φ = 0.2) is reported to be ≈532 (± 10) K. The temperature dependent dielectric data displays the ferroelectric phase transitions from the PZTFT phase and the broad relaxation peak from the CZFMO phase. The quadratic relationship between the magneto-capacitance and the magnetization confirms the existence of biquadratic magnetoelectric coupling in the systems. The collective results are consistent with the presence of a direct magneto-electric effect in the composites, i.e., by the application of magnetic field, the magnetic phase is strained, and this induced strain is responsible for changes of ferroelectric order parameter in the piezoelectric phase. As a result, this attribute makes the current composite structure a promising candidate for multiferroic data storage and processing technologies.

Bhoi, Krishnamayee↗