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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A New Search for Low-mass Dark Matter and an Examination and Reduction of the Uncertainty due to the Photoelectric Absorption Cross Section using a Cryogenic Silicon Detector with Single-charge Sensitivity

Many astrophysical observations point to the abundant existence of dark matter (DM) in the universe composed of particles beyond the Standard Model. However despite numerous experiments using different techniques, DM particles have yet to be directly observed. The Super Cryogenic Dark Matter Search (SuperCDMS) SNOLAB experiment will employ silicon and germanium crystal detectors operated at temperatures as low as 15~mK to probe DM interactions using phonon and ionization signals. Recently, R\&D; facilities have developed gram-sized high-voltage eV-scale (HVeV) silicon detectors that achieve single-electron-hole-pair resolution. By probing effective DM-electron interactions, these devices can be used for searches of low-mass DM candidates.This dissertation presents a DM search experiment known as HVeV Run~2 that employs a second-generation HVeV detector operated in an above-ground laboratory at Northwestern University (IL, USA). Energy spectra are obtained from a blind analysis with 0.39 and 1.2\,g-days of exposure with the detector biased at 60 and 100\,V, respectively. The 0.93~gram detector achieves a 3\,eV phonon energy resolution, corresponding to a world-leading charge resolution of 3\,\% of a single electron-hole pair for a detector bias of 100\,V. With charge carrier trapping and impact ionization effects incorporated into the DM signal models, the resulting exclusion limits are reported for inelastic DM-electron scattering for DM masses from 0.5--$10^{4}$\,MeV$/c^{2}$; in the mass range from 1.2--50\,eV$/c^{2}$ the limits for dark photon and axion-like particle absorption are reported.Several DM search experiments, including HVeV Run~2, are sensitive to low-mass DM candidates that rely on the temperature-dependent photoelectric absorption cross section of silicon. However discrepancies in the underlying literature data result in dominating systematic uncertainties on the DM exclusion limits. In order to reduce these systematic uncertainties, this dissertation presents a novel method of making a direct, low-temperature measurement of the photoelectric absorption cross section of silicon at energies near the band gap (1.2--2.8\,eV).

Wilson, Matthew James↗
NASA NTRS2001

Mapping Arid Vegetation Species Distributions in the White Mountains, Eastern California, Using AVIRIS, Topography, and Geology

Our challenge is to model plant species distributions in complex montane environments using disparate sources of data, including topography, geology, and hyperspectral data. From an ecologist's point of view, species distributions are determined by local environment and disturbance history, while spectral data are 'ancillary.' However, a remote sensor's perspective says that spectral data provide picture of what vegetation is there, topographic and geologic data are ancillary. In order to bridge the gap, all available data should be used to get the best possible prediction of species distributions using complex multivariate techniques implemented on a GIS. Vegetation reflects local climatic and nutrient conditions, both of which can be modeled, allowing predictive mapping of vegetation distributions. Geologic substrate strongly affects chemical, thermal, and physical properties of soils, while climatic conditions are determined by local topography. As elevation increases, precipitation increases and temperature decreases. Aspect, slope, and surrounding topography determine potential insolation, so that south-facing slopes are warmer and north-facing slopes cooler at a given elevation. Topographic position (ridge, slope, canyon, or meadow) and slope angle affect sediment accumulation and soil depth. These factors combine as complex environmental gradients, and underlie many features of plant distributions. Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) data, digital elevation models, digitized geologic maps, and 378 ground control points were used to predictively map species distributions in the central and southern White Mountains, along the western boundary of the Basin and Range province. Minimum Noise Fraction (MNF) bands were calculated from the visible and near-infrared AVIRIS bands, and combined with digitized geologic maps and topographic variables using Canonical Correspondence Analysis (CCA). CCA allows for modeling species 'envelopes' in multidimensional environmental space, which can then be projected across entire landscapes.

VandeVen, C.↗
NASA NTRS2020

Characterizing spatiotemporal patterns of crop phenology across North America during 2000–2016 using satellite imagery and agricultural survey data

Crop phenology represents an integrative indicator of climate change and plays a vital role in terrestrial carbon dynamics and sustainable agricultural development. However, spatiotemporal variations of crop phenology remain unclear at large scales. This knowledge gap has hindered our ability to realistically quantify the biogeochemical dynamics in agroecosystems, predict future climate, and make informed decisions for climate change mitigation and adaptation. In this study, we improved an EVI-curve-based approach and used it to detect spatiotemporal patterns in cropping intensity and five major phenological stages over North America during 2000–2016 using vegetation index in combination with agricultural survey data and other ancillary maps. Our predicted crop phenological stages showed strong linear relationships with the survey-based datasets, with R(exp 2), RMSEs, and MAEs in the ranges of 0.35 –0.99, three to ten days, and two to eight days, respectively. During the study period, the planting dates were advanced by 0.60 days/year (p < 0.01), and harvesting dates were delayed by 0.78 days/year (p < 0.01) over North America. A minimum temperature increase by 1 °C caused a 4.26-day planting advance (r = −0.50, p < 0. 01) or a 0.66-day harvest delay (r = 0.10, p < 0.01). While, a higher maximum temperature resulted in a planting advance by 4.48 days/°C (r = −0.62, p < 0.01) or a harvest advance by 2.22 days/°C (r = −0.40, p < 0.01). Our analysis illustrated evident spatiotemporal variations in crop phenology in response to climate change and management practices. The derived crop phenological datasets and cropping intensity maps can be used in regional climate assessments and in developing adaptation strategies.

North America↗
DOE OSTI2025

Addressing the dynamic nature of reference data: a new nucleotide database for robust metagenomic classification

Accurate metagenomic classification relies on comprehensive, up-to-date, and validated reference databases. While the NCBI BLAST Nucleotide (nt) database, encompassing a vast collection of sequences from all domains of life, represents an invaluable resource, its massive size—currently exceeding 10 12 nucleotides—and exponential growth pose significant challenges for researchers seeking to maintain current nt-based indices for metagenomic classification. Recognizing that no current nt-based indices exist for the widely used Centrifuge classifier, and the last public version currently available was released in 2018, we addressed this critical gap by leveraging advanced high-performance computing resources. We present new Centrifuge-compatible nt databases, meticulously constructed using a novel pipeline incorporating different quality control measures, including reference decontamination and filtering. These measures demonstrably reduce spurious classifications, as shown through our reanalysis of published metagenomic data where Plasmodium annotations were dramatically reduced using our decontaminated database, highlighting how database quality can significantly impact research conclusions. Through temporal comparisons, we also reveal how our approach minimizes inconsistencies in taxonomic assignments stemming from asynchronous updates between public sequence and taxonomy databases. These discrepancies are particularly evident in taxa such as Listeria monocytogenes and Naegleria fowleri, where classification accuracy varied significantly across database versions. These new databases, made available as pre-built Centrifuge indexes, respond to the need for an open, robust, nt-based pipeline for taxonomic classification in metagenomics. Applications such as environmental metagenomics, forensics, and clinical metagenomics, which require comprehensive taxonomic coverage, will benefit from this resource. Our work highlights the importance of treating reference databases as dynamic entities, subject to ongoing quality control and validation akin to software development best practices. This approach is crucial for ensuring accuracy and reliability of metagenomic analysis, especially as databases continue to expand in size and complexity.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Gap-filled meteorological data (2011-2020) and modeled potential evapotranspiration data from the KCOMTCRE2 WeatherUnderground weather station, from the East River Watershed, Colorado

This dataset is a gap-filled meteorological dataset (years 2011-2020) that includes modeled potential evapotranspiration from a station near the pumphouse on the East River (KCOMTCRE2 WeatherUnderground ) near the top of the ridge at the Pumphouse PLM wells. These datasets are useful as model inputs. The KOMTCRE2 station is located on Mt. Crested Butte in Colorado. More information can be found at: https://www.wunderground.com/dashboard/pws/KCOMTCRE2/table/2020-12-7/2020-12-7/daily. The purpose of this dataset is to use as input to hydrological and flow-reactive transport models as meteorological forcing. One attached file includes metadata files with definitions for all variables and units. Subsequent files include the same time series dataset, but aggregated and gap-filled at different time-stamp intervals. These include 5 minute time-series, 15 minute time-series, 30 minute time-series, 1 hour time-series, daily time-series, and hourly and daily modeled evapotranspiration.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2014

Space Mission Human Reliability Analysis (HRA) Project

The purpose of the Space Mission Human Reliability Analysis (HRA) Project is to extend current ground-based HRA risk prediction techniques to a long-duration, space-based tool. Ground-based HRA methodology has been shown to be a reasonable tool for short-duration space missions, such as Space Shuttle and lunar fly-bys. However, longer-duration deep-space missions, such as asteroid and Mars missions, will require the crew to be in space for as long as 400 to 900 day missions with periods of extended autonomy and self-sufficiency. Current indications show higher risk due to fatigue, physiological effects due to extended low gravity environments, and others, may impact HRA predictions. For this project, Safety & Mission Assurance (S&MA) will work with Human Health & Performance (HH&P) to establish what is currently used to assess human reliabiilty for human space programs, identify human performance factors that may be sensitive to long duration space flight, collect available historical data, and update current tools to account for performance shaping factors believed to be important to such missions. This effort will also contribute data to the Human Performance Data Repository and influence the Space Human Factors Engineering research risks and gaps (part of the HRP Program). An accurate risk predictor mitigates Loss of Crew (LOC) and Loss of Mission (LOM).The end result will be an updated HRA model that can effectively predict risk on long-duration missions.

Boyer, Roger↗
NASA NTRS2016

Mechanotransductive Regulation of Gap-Junction Activity Between MLO-Y4 Osteocyte-Like and MC3T3-E1 Osteoblast-Like Cells in Three-Dimensional Co-Culture.

Cell and animal studies conducted onboard the International Space Station and formerly on Shuttle flights have provided groundbreaking data illuminating the deleterious biological response of bone to mechanical unloading. However the intercellular communicative mechanisms associated with the regulation of bone synthesis and bone resorption cells are still largely unknown. Connexin-43 (CX43), a gap junction protein, is hypothesized to play a significant role in osteoblast and osteocyte signaling. The purpose of this investigation was to evaluate within a novel three-dimensional microenvironment how the osteocyte-osteoblast gap-junction expression changes when cultures are exposed to exaggerated mechanical load. MLO-Y4 osteocyte-like cells were cultured on a 3D-Biotek polystyrene insert and placed in direct contact with an MC3T3-E1 pre-osteoblast co-cultured monolayer and exposed to 48 h of mechanical stimulation (pulsatile fluid flow (PFF) or monolayer cyclic stretch (MCS)) then evaluated for viability, proliferation, metabolism, and CX43 expression. Mono-cultured MLO-Y4 and MC3T3-E1 control experiments were conducted under PFF and MCS stimulation to observe how strain application stimuli (PFF cell membrane shear or MCS cell focal adhesion/attachment loading) initiates different signaling pathways or downstream regulatory controls. TotalLive cell count, viability and metabolic reduction (Trypan Blue, LIVEDead and Alamar Blue analysis respectively) indicate that mechanical activation of MC3T3-E1 cells inhibits proliferation while maintaining an average 1.04E4 reductioncell metabolic rate, *p0.05 n4. MLO-Y4s in monolayer culture increase in number when exposed to MCS loading but the percent of live cells within the population is low (46.3 total count, *p0.05 n4), these results may indicate an apoptotic signaling cascade. PFF stimulation of the three-dimensional co-cultures elicits a universal increase in CX43 in MLO-Y4 and MC3T3-E1 cells, illustrated by immunohistological observation. Increased CX43 expression is also observed with the three-dimensional co-cultures with MC3T3-E1 MCS stimulation but the increased gap-junction protein presence was limited to the osteoblast-osteocyte interface region. Previously reported PCR evaluation of osteogenic markers further corroborate that the co-cultured populations communicative networks play a role in translating mechanical signals to molecular messaging. These findings suggests an osteocyte-osteoblast gap-junction signaling feedback mechanism may regulate mechanotransduction of apoptosis initiation and transcription of cytokine signaling proteins responsible for stem cell niche recruitment much more directly than previously believed.

mechanical loading↗
NASA NTRS2016

Mechanotransductive Regulation of Gap-Junction Activity Between MLO-Y4 Osteocyte-Like and MC3T3-E1 Osteoblast-Like Cells in Three-Dimensional Co-Culture

Cell and animal studies conducted onboard the International Space Station and formerly on Shuttle flights have provided groundbreaking data illuminating the deleterious biological response of bone to mechanical unloading. However the intercellular communicative mechanisms associated with the regulation of bone synthesis and bone resorption cells are still largely unknown. Connexin-43 (CX43), a gap junction protein, is hypothesized to play a significant role in osteoblast and osteocyte signaling. The purpose of this investigation was to evaluate within a novel three-dimensional microenvironment how the osteocyte-osteoblast gap-junction expression changes when cultures are exposed to exaggerated mechanical load. MLO-Y4 osteocyte-like cells were cultured on a 3D-Biotek polystyrene insert and placed in direct contact with an MC3T3-E1 pre-osteoblast co-cultured monolayer and exposed to 48 h of mechanical stimulation (pulsatile fluid flow (PFF) or monolayer cyclic stretch (MCS)) then evaluated for viability, proliferation, metabolism, and CX43 expression. Mono-cultured MLO-Y4 and MC3T3-E1 control experiments were conducted under PFF and MCS stimulation to observe how strain application stimuli (PFF cell membrane shear or MCS cell focal adhesionattachment loading) initiates different signaling pathways or downstream regulatory controls. TotalLive cell count, viability and metabolic reduction (Trypan Blue, LIVEDead and Alamar Blue analysis respectively) indicate that mechanical activation of MC3T3-E1 cells inhibits proliferation while maintaining an average 1.04E4 reductioncell metabolic rate, *p0.05 n4. MLO-Y4s in monolayer culture increase in number when exposed to MCS loading but the percent of live cells within the population is low (46.3 total count, *p0.05 n4), these results may indicate an apoptotic signaling cascade. PFF stimulation of the three-dimensional co-cultures elicits a universal increase in CX43 in MLO-Y4 and MC3T3-E1 cells, illustrated by immunohistological observation. Increased CX43 expression is also observed with the three-dimensional co-cultures with MC3T3-E1 MCS stimulation but the increased gap-junction protein presence was limited to the osteoblast-osteocyte interface region. Previously reported PCR evaluation of osteogenic markers further corroborate that the co-cultured populations communicative networks play a role in translating mechanical signals to molecular messaging. These findings suggests an osteocyte-osteoblast gap-junction signaling feedback mechanism may regulate mechanotransduction of apoptosis initiation and transcription of cytokine signaling proteins responsible for stem cell niche recruitment much more directly than previously believed.

Juran, C. M.↗
DOE OSTI2024

Dissolution zone model of the oxide structure in additively manufactured dispersion-strengthened alloys

The structural evolution of oxides in dispersion-strengthened superalloys during laser-powder bed fusion is considered in detail. Alloy chemistry and process parameter effects on oxide structure are assessed through a parameter study on the model alloy Ni-20Cr, doped with varying concentrations of Y 2 O 3 and Al. Small angle neutron scattering measurements of the dispersoid size distribution show the dispersoid size increases with higher laser power, slower scan speed, and increasing Y 2 O 3 and Al content. Complementary electron microscopy measurements reveal reactions between Y 2 O 3 and Al, even in nanoscale dispersoids, and the presence of micron-scale oxide slag inclusions in select specimens. A scaling analysis of mass and momentum transport within the melt pool, presented here, establishes that diffusional structural evolution mechanisms dominate for nanoscale dispersoids, while fluid forces and advection become significant for larger slag inclusions. These findings are developed into a theory of dispersoid structural evolution, integrating quantitative models of diffusional processes – dispersoid dissolution, nucleation, growth, coarsening – with a reduced order model of time-temperature trajectories of fluid parcels within the melt pool. Calculations of the dispersoid size in single-pass melting reveal a zone in the center of the melt track in which the oxide feedstock fully dissolves. Within this zone the final Y 2 O 3 size is independent of feedstock size and determined by nucleation and growth kinetics. If the dissolution zones of adjacent melt tracks overlap sufficiently with each other to dissolve large oxides, formed during printing or present in the powder feedstock, then the dispersoid structure throughout the build volume is homogeneous and matches that from a single pass within the dissolution zone. Gaps between adjacent dissolution zones result in oxide accumulation into larger slag inclusions. Predictions of final dispersoid size and slag formation using this dissolution zone model match the present experimental data and explain process-structure linkages speculated in the open literature.

36 MATERIALS SCIENCE↗
NASA NTRS2025

Measuring Unique Contextual Factors: Group Living Skills

BACKGROUND The Human Factors and Behavioral Performance Exploration Measures (HFBP-EM) suite is a set of standardized measures used to assess behavioral health and performance risks related to future exploration-class space missions. During the HFBP-EM suite development, the importance of assessing unique contextual factors to understand the drivers of team dynamics was identified. Group living skills are a unique workplace skill which applies to those coworkers who live and work together. As mission lengths become longer, the line between work and non-work life may blur. Extreme living conditions such as spaceflight can result in increased stress over time, negatively impact mood and well-being, decrease team cohesion and increase conflict, deteriorate task performance, and potentially reduce mission success [1]. With no breaks in their isolated and confined environment possible, living with a messy, inconsiderate crewmember can add to the stress. Alternatively, crews with good group living skills may support one another, mitigating the negative effects of the extreme environment. There was no direct measure of group living skills. This work sought to fill this measurement gap and collect data related to group living in isolated, confined, extreme (ICE) environments. METHODS Group living skills as an astronaut competency area were developed with the input of experts familiar with ICE environments. Distinct aspects of this competency were reviewed and discussed by a NASA-invited group of spaceflight experts in 2015 to identify individual and team behavioral health and performance measures for operational environments. This work resulted in a 5-item measure focused on group living experiences with each crewmember (or the crew as a whole). A 6th item asks whether an individual would go on another mission with a particular crewmember or crew as a measure of future-oriented group living, or team viability. The measure was deployed in 24 teams living and working together in isolated and confined environments (e.g., International Space Station, space mission simulation analogs). RESULTS & DISCUSSION In this presentation, we will summarize results which indicate the Group Living Skills (GLS) Survey is a reliable, valid, and operationally feasible measure. Reliability was evaluated in several ways. Two-way multilevel mixed models revealed strong repeated measures reliability (ICC2 = .902, Omega between = .954). Reliability of change within teams was strong (Rc = .81). Factor analysis showed a consistent two-factor structure when individuals rated either the whole crew, all individuals, just peers, or a focal roommate. The latter used a sociometric approach to rating the GLS of the roommates. The two factors were tidiness and being considerate of others. We assessed the criterion-related validity of GLS, by examining GLS operationalized as the team-level aggregated GLS Survey scores as a predictor of team viability, team cohesion, and team performance. We used generalized mixed models to account for the repeated measures and longitudinal data. The marginal R2 change was used to determine the extent to which GLS were related to the team outcomes while controlling for mission day and campaign. Results suggested GLS was strongly related to team viability (marginal R2 change = .40), team cohesion (marginal R2 change = 0.28), social cohesion (marginal R2 change = 0.25), and moderately related to task cohesion (marginal R2 change = 0.18). GLS scores had a small relationship with team performance (marginal R2 change = .08). Results support GLS as a measure that can be used to capture group living skills of crews who live and work together in ICE. Because the items were written to be broadly applicable, less extreme environments with teams living and working together for some length of time also benefit from this measure (e.g., college roommates, camps). See Landon et al. (2024) for full results [2]. SUMMARY We report reliability and validity evidence for a new measure that assesses the Group Living Skills for teams that live and work in operational environments such as spaceflight.

J C W Miller↗
DOE OSTI2022

Mechanism for Acetone and Crotonaldehyde Production during Steam Reforming of Ethanol over La 0.7 Sr 0.3 MnO 3–x Perovskite: Evidence for a Shared C4 Aldol Addition Intermediate

Here a mechanistic study was conducted on the catalytic conversion of ethanol over La 0.7 Sr 0.3 MnO 3–x perovskite catalysts in the presence and absence of water. The study sought insights into the path of C–C coupling toward acetone and crotonaldehyde and also into clarifying whether the lack of previous reports of C–C coupling over La 0.7 Sr 0.3 MnO 3–x (100) could be due to a “pressure gap”. Several types of experiments were performed at 400–800 K: flow experiments with a torr range reactant gas flown over La 0.7 Sr 0.3 MnO 3–x powders; ultra-high vacuum experiments with continuous gas exposures to a La 0.7 Sr 0.3 MnO 3–x (100) single-crystal sample; and torr range continuous gas exposures to a La 0.7 Sr 0.3 MnO 3–x (100) single-crystal sample. When ethanol and water were flown over La 0.7 Sr 0.3 MnO 3–x powders at 400–800 K, the products detected were ethene, acetaldehyde, acetone, crotonaldehyde, CO, CO 2 , and H 2 . Acetone was catalytically produced over both the La 0.7 Sr 0.3 MnO 3–x powder and the La 0.7 Sr 0.3 MnO 3–x (100) single-crystal sample at temperatures of 700–800 K when reaction conditions were on the order of 1 Torr of reactant gas and with an excess of water relative to ethanol (1 ethanol/9 water). Isotopic labeling with deuterium was used to gain insights into the C–C coupling reaction mechanism and paths in species with three and four carbons (C 3 and C 4 species). Additionally, steady-state isotopic transient kinetic analysis (SSITKA) experiments + simulations using carbon labeling of the ethanol feed were performed. Three mechanistic paths were considered for the C–C coupling step: the first two paths, A and B, involve coupling between two intermediates which are both in oxygen vacancies; and the third path, C, involves coupling between one intermediate in an oxygen vacancy and one intermediate outside of an oxygen vacancy. The results suggest that the dominant path to the C 3 product, acetone, depends on the conditions. The less active path (attributed to path A or B) occurs at 600–700 K and involves coupling between two irreversibly bound species. The more active path (attributed to path C) requires an excess of water, becomes dominant at 600–800 K, and involves coupling between one irreversibly bound species and one reversibly bound species. Based on these various observations from experiments and simulations, an elementary step is proposed for acetone formation involving a previously unreported C 4 transition state that is formed after aldol addition. Density functional theory calculations were performed based on this hypothesis, and it confirmed that this specific and previously unreported aldol addition path to acetone does exist and that this path consistent with the experimental data. In this path, C–C formation occurs to create a C 4 intermediate that is bound to an oxygen vacancy, then a hydrogen transfer with C–C bond breaking occurs that results in the production of the acetone molecule. The proposed mechanism is also consistent with the experimental observation that acetone formation has a greater than first-order dependence on the water vapor pressure.

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

$\mathrm{UPDATED}$ $\mathrm{U3SI2}$ thermal creep model and sensitivity analysis of the $\mathrm{U3SI2-SIC}$ accident tolerant $\mathrm{FUEL}$

U 3 Si 2 is a candidate accident tolerant fuel (ATF) replacement for UO 2 . U 3 Si 2 ’s high uranium density and high thermal conductivity are favorable properties in steady-state and accident conditions. Low power performance of this U3Si2-SiC concept fuel is compared to that of UO 2 -Zr4 fuels by implementing models that describe the properties of U 3 Si 2 and SiC-SiC into Idaho National Laboratory's (INL) fuel performance code, BISON. Included in these material models is a thermal creep model for U 3 Si 2 based on compressive creep data. The simulated results are in keeping with community knowledge that the U 3 Si 2 -SiC concept fuel may serve as a replacement for UO 2 -Zr4 fuels during steady-state operation, provided the mSiC layer remains under compression. Through a moderate power history and three 24-month fuel cycles, the mSiC layer remains under compressive stress through a burnup of 80 MWd/kgU. During low power operation, failure of the mSiC layer generally occurs prior to significant thermal creep in U 3 Si 2 . Generally, U 3 Si 2 creep is temperature sensitive and of little importance at the temperatures and stresses simulated during steady operation and during fuel-to-cladding contact. A parameter variation study including 11,520 individual simulations with variations in nominal fuel thermal creep rate, cladding thermal conductivity, cladding irradiation creep and swelling, cladding gap size, and cladding thickness demonstrated that research priorities for this ATF should revolve around reducing cladding thickness as a means to minimize cladding failure. Generally, despite advances in SiC-SiC compliance, the brittle nature of mSiC excludes U 3 Si 2 -SiC for use where fuel cladding contact may occur.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Correlating and Simulating Socio-Demographically Driven Residential End-Use Activity Schedules

Incorporating socio-demographic and behavioral considerations into decision-support tools is crucial for identifying gaps and addressing consumer needs to ensure reliable and affordable energy solutions. In energy simulation models, the correlation between socio-demographics and time-use behavior is not well-captured. Thus, we developed a large-scale simulation workflow to generate schedules for 10 residential activities across 24 population segments defined by age, income, and employment status. Using pre-pandemic 2015-2019 American Time Use Survey (ATUS) data, we used ANOVA to confirm the correlation between demographic factors and time use. We explored three k-modes clustering methods-backward, forward, and a new hybrid approach-to delineate the occupancy patterns based on demographics. Using the probability of cluster membership for each population segment and a time inhomogeneous Markov chain to generate activity transition probabilities for each cluster, we simulated 50,000 schedules per segment and validated them against the ATUS data. The hybrid method produced the most socio-demographically differentiated clusters while demonstrating comparable performance to other approaches, with an overall root mean square error of 0.12 for both weekday and weekend schedules. Thus, the hybrid method, where each cluster is dominated by certain demographic segments and occupancy patterns, offers more modeling versatility in terms of scenario analysis. The new workflow improves the socio demographic differentiation of energy consumption by considering differences in time use. This approach enables future research on demographically segmented time of use (TOU) energy consumption, including impacts of TOU utility bills and rate analysis, long-run marginal emissions, and energy retrofits.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS2017

Atmospheric Water Balance and Variability in the MERRA-2 Reanalysis

Closing and balancing Earths global water cycle remains a challenge for the climate community. Observations are limited in duration, global coverage, and frequency, and not all water cycle terms are adequately observed. Reanalyses aim to fill the gaps through the assimilation of as many atmospheric water vapor observations as possible. Former generations of reanalyses have demonstrated a number of systematic problems that have limited their use in climate studies, especially regarding low-frequency trends. This study characterizes the NASA Modern-Era Retrospective Analysis for Research and Applications version 2 (MERRA-2) water cycle relative to contemporary reanalyses and observations. MERRA-2 includes measures intended to minimize the spurious global variations related to in homogeneity in the observational record. The global balance and cycling of water from ocean to land is presented, with special attention given to the water vapor analysis increment and the effects of the changing observing system. While some systematic regional biases can be identified,MERRA-2 produces temporally consistent time series of total column water and transport of water from ocean to land. However, the interannual variability of ocean evaporation is affected by the changing surface-wind-observing system, and precipitation variability is closely related to the evaporation. The surface energy budget is also strongly influenced by the interannual variability of the ocean evaporation. Furthermore, evaluating the relationship of temperature and water vapor indicates that the variations of water vapor with temperature are weaker in satellite data reanalyses, not just MERRA-2, than determined by observations, atmospheric models, or reanalyses without water vapor assimilation.

MERRA-2↗
DOE OSTI2020

(Oxy)hydroxides Formed on Aluminum Fuel Materials After Irradiation and Long-Term Wet Storage - 20354

The aluminum cladding of research-reactor fuel experiences general corrosion when in contact with water during in-reactor service and post-discharge wet storage, resulting in the formation of adherent aluminum (oxy)hydroxide films. These (oxy)hydroxides contain chemically-bound water that poses challenges for extended dry storage due to the risk of thermal or radiolytic decomposition releasing free water and/or hydrogen and oxygen gases. This study describes characterization of the (oxy)hydroxides present on several aluminum materials used in reactor operation and subsequently stored wet in the L-Basin storage facility at the Savannah River Site (SRS) for an extended period. Characterization data providing insight into the loading, composition, and morphology of (oxy)hydroxides to be expected on service-exposed aluminum cladding provides valuable benchmarks for designing adequate drying and dry-storage approaches. This work is part of a broader investigation to address knowledge gaps and technical data needs for dry storage of aluminum-clad spent nuclear fuel (ASNF), which included in-lab growth of (oxy)hydroxide films on aluminum alloy substrates to investigate formation behavior, investigation of drying methods to remove existing (oxy)hydroxides from ASNF cladding, and measurement of radiolytic yield of hydrogen from (oxy)hydroxide powders and films. In this study, (oxy)hydroxide films were characterized for three aluminum-alloy materials used in reactors and subsequently stored wet for up to approximately 40 years in L-Basin at SRS: one cropping from a Missouri University Research Reactor (MURR) fuel element (Al-6061 alloy), one cropping from a Universal Sleeve Housing (USH) (Al-6063 alloy), and one Mark-16B fuel assembly (either Al-6061 or Al- 6063). The USH and Mark-16B were used in SRS production reactors. Characterization of the as-received (oxy)hydroxides included scanning electron microscopy (SEM) in both plan-view and cross-section to characterize the (oxy)hydroxide layer's morphology, thickness, and structure. X-ray diffraction (XRD) was used to identify the chemical composition and distinguish between the various aluminum (oxy)hydroxides known to form under reactor and storage conditions. XRD analysis revealed both bayerite (Al(OH)3) and boehmite (AlOOH) on the surface of the MURR and USH samples, as well as bayerite, boehmite, and gibbsite (another Al(OH)3 polymorph) on the surface of the Mark-16B sample. The aluminum trihydroxides, bayerite and gibbsite, are typically associated with corrosion in low-temperature (<80 deg. C) water, while boehmite is expected to form at higher water temperature (>80 deg. C). The presence of bayerite on the USH, which is believed to have operated close to 90 deg. C, suggests that boehmite formed during in-reactor exposure was not protective against further hydroxide growth in low-temperature wet storage. Cross-section scanning electron microscopy (SEM) showed total (oxy)hydroxide layer thicknesses of ∼5- 10 μm for the MURR and ∼5-15 μm for the Mark-16B. The thickness of the USH's (oxy)hydroxide layer was indiscernible by the current mounting and imaging method, despite plan-view SEM and XRD confirming the presence of an (oxy)hydroxide layer. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS2006

Solutions Network Formulation Report. Integration of OMI and TES Aerosol Products into the EPA Regional Planning Organizations' FASTNET Aerosol Tracking and Analysis Tool

Every year, more than 280 million visitors tour our Nation s most treasured parks and wilderness areas. Unfortunately, many visitors are unable to see the spectacular vistas they expect because of white or brown haze in the air. Most of this haze is not natural; it is air pollution, carried by the wind often hundreds of miles from its origin. Some of the pollutants have been linked to serious health problems, such as asthma and other lung disorders, and even premature death. In addition, nitrates and sulfates contribute to acid rain formation, which contaminates rivers and lakes and erodes buildings and historical monuments. The U.S. Environmental Protection Agency RPOs (Regional Planning Organizations) have been tasked with monitoring and determining the nature and origin of haze in Class I scenic areas, and finding ways to reduce haze in order to improve visibility in these areas. The RPOs have developed an Internet-based air quality DST (Decision Support Tool) called FASTNET (Fast Aerosol Sensing Tools for Natural Event Tracking). While FASTNET incorporates a few satellite datasets, most of the data utilized by this DST comes from ground-based instrument networks. The problem is that in many areas the sensors are sparsely located, with long distances between them, causing difficulties in tracking haze over the United States, determining its source, and analyzing its content. Satellite data could help to fill in the data gaps and to supplement and verify ground-recorded air quality data. Although satellite data are now being used for air quality research applications, such data are not routinely used for environmental decision support, in part because of limited resources, difficulties with interdisciplinary data interpretation, and the need for advanced inter-agency partnerships. As a result, the validation and verification of satellite data for air quality operational system applications has been limited This candidate solution evaluates the usefulness of OMI (Ozone Monitoring Instrument) and TES (Tropospheric Emission Spectrometer) air quality data for the RPOs by comparing OMI and TES data with ground-based data that are acquired during identified episodes of air pollution. The air quality data from OMI and TES are of different spectral ranges than data from satellites currently included in FASTNET, giving them potential advantages over the existing satellites. If the OMI and TES data are shown to be useful to the RPOs, they would then be integrated into the FASTNET DST for use on an operational basis.

Knowlton, Kelly↗
DOE OSTI2021

Synthesis and structural characterization of orthorhombic Cu 3– δ Sb ( δ ≈ 0.1) and hexagonal Cu 3 Sb 1–x In x (x ≈ 0.2) phases

Cu 3 Sb is a known copper-rich phase in the Cu–Sb binary phase diagram. It is reported to be dimorphic, with a low-temperature form adopting the orthorhombic Cu 3 Ti structure type (space group Pmmn , No. 59). The high-temperature form crystallizes in the cubic space group F m 3 - m $Fm&#x203e;{3}m$ (No. 225), and is isostructural with BiF 3 . Neither polymorph has been carefully characterized to date, with both structures being assigned to the respective structure type, but never refined. With this study, we provide structural evidence, based on single-crystal and powder X-ray diffraction data that the low-temperature orthorhombic phase exists with a significant amount of defects on one of the Cu-sites. As a result, its composition is not Cu 3 Sb, but rather Cu 3– δ Sb ( δ = 0.13(1)). The cubic form could not be accessed as a part of this study, but another Cu-rich phase, Cu 3 Sb ≈0.8 In ≈0.2 , was also identified. It adopts the hexagonal Ni 3 Sn structure type (space group P 6 3 / mmc , No. 194) and represents an In-substituted variant of a hitherto unknown structural modification of Cu 3 Sb. Whether the latter can exist as a binary phase, or what is the minimum amount of In inclusions needed to stabilize it remains to be determined. Measurements of the thermopower of Cu 3– δ Sb ( δ = 0.13(1)) were conducted in the range of 300–600 K and demonstrated a maximum value of ca. 50 μV/K at 600 K, indicative of a p -type transport mechanism. Electrical resistivity measurements for the same sample confirmed that it exhibits metallic-like behavior, with a room temperature value of 0.43 mΩ cm. Electronic structure calculations show the absence of a band gap. Thermal analysis was utilized to ascertain the congruent melting of both phases.

Crystallography↗
DOE OSTI2022

How close are urban scale building simulations to measured data? Examining bias derived from building metadata in urban building energy modeling

Residential and commercial buildings in the United States accounted for 40% of total energy in 2020. Building energy modeling (BEM) is a useful tool that allows individuals, researchers, companies, or utilities to save energy by optimizing buildings through estimation of building technology savings and performance projection of building energy under various environmental conditions. Urban building energy modeling (UBEM) expands the scope beyond individual buildings to the buildings in a neighborhood, city, utility and more. Yet there is a knowledge gap in the literature as to how these models compare to measured data on an individual and aggregated basis. As UBEM data and methods continue to develop, it is important to consider the accuracy, bias, and limitations of the models. Here, nation-scale data and UBEM software suite named Automatic Building Energy Modeling (AutoBEM) was used to model 50,843 buildings in Chattanooga, Tennessee. The uncalibrated simulation results were compared to aggregated 15-minute electricity data for the year 2019 with visualizations highlighting sources of bias in building data and the AutoBEM framework while considering how they relate to other UBEM methods. Estimation of building type and year of constructions are found to be the major sources of bias. Accounting for the amount of conditioned area per building significantly improves the overall fit of the simulated energy use intensity. it was found that inherent variation in building energy use contributes to R 2 values between 0.008 and 0.095 across building types but slope values near 1 for the total number of buildings. This indicates the need for building aggregation for representative building energy modeling with data sources available at an urban scale while illustrating the need for additional individual building data and model improvement beyond the originally produced UBEM models for individual building analysis.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗