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At least 1,171 records · Page 65

All sources NASA NTRS DOE OSTI

DOE OSTI2022

Association of Diet and Antimicrobial Resistance in Healthy U.S. Adults

Antimicrobial resistance (AMR) represents a significant source of morbidity and mortality worldwide, with expectations that AMR-associated consequences will continue to worsen throughout the coming decades. Since resistance to antibiotics is encoded in the microbiome, interventions aimed at altering the taxonomic composition of the gut might allow us to prophylactically engineer microbiomes that harbor fewer antibiotic resistant genes (ARGs). Diet is one method of intervention, and yet little is known about the association between diet and antimicrobial resistance. To address this knowledge gap, we examined diet using the food frequency questionnaire (FFQ; habitual diet) and 24-h dietary recalls (Automated Self-Administered 24-h [ASA24 ® ] tool) coupled with an analysis of the microbiome using shotgun metagenome sequencing in 290 healthy adult participants of the United States Department of Agriculture (USDA) Nutritional Phenotyping Study. We found that aminoglycosides were the most abundant and prevalent mechanism of AMR in these healthy adults and that aminoglycoside-O-phosphotransferases (aph3-dprime) correlated negatively with total calories and soluble fiber intake. Individuals in the lowest quartile of ARGs (low-ARG) consumed significantly more fiber in their diets than medium- and high-ARG individuals, which was concomitant with increased abundances of obligate anaerobes, especially from the family Clostridiaceae, in their gut microbiota. Finally, we applied machine learning to examine 387 dietary, physiological, and lifestyle features for associations with antimicrobial resistance, finding that increased phylogenetic diversity of diet was associated with low-ARG individuals. These data suggest diet may be a potential method for reducing the burden of AMR.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

GeoTGo: AI/ML software for development of community geothermal resources

For effective and equitable outcomes in achieving the national goal of net-zero carbon emissions, communities must be not only included, but even lead the implementation of innovative green-energy technologies. Collaborations with communities should happen through informed decision-making, community-centered research and engagement of stakeholders at the local, state, and regional levels. Community-led research and implementation are fundamental to achieving success. These collaborations include rule makers, environmental regulators, clean energy industries, and technology researchers and developers. Unfortunately, many green infrastructure initiatives still adhere to a top-down and expert-driven process of site selection and design without awareness and acknowledgment of public engagement needs. This can lead to costly delays, including lawsuits, and ultimately less than desired or lacking outcomes as well as missed opportunities1. Geothermal, like many new technologies whose social and economic impacts are not fully understood, often cause disproportionately high adverse effects on disadvantaged communities. These effects can be related to human health, environmental, climate, and other cumulative impacts, as well as the accompanying economic challenges of these impacts. We are focusing our work on the needs of the New Mexico Native American Pueblos and Tribes (NMP&T). To address these needs, we are developing a novel web-based interactive software and user friendly interface called GeoTGO (https://geotgo.com) that provides everything that is needed for communities to better understand and develop their geothermal resources. We will bridge the gap between technology advancements and community needs by facilitating the interactions between the geothermal industry, regulators, stakeholders, and end-users. GeoTGO will merge data, software (including data analysis, text mining, artificial intelligence, and modeling tools), knowledge, expertise, and experience to provide fast processing and dissemination of the latest information about cutting-edge geothermal technologies to users and communities. More information about the project is available at https://envitrace.com/projects/geotgo.html.

15 GEOTHERMAL ENERGY↗

DOE OSTI2025

Seeing is Believing: Autonomous Microscopy and the Data Revolution in Materials Science

This presentation explores the transformative potential of autonomous electron microscopy and artificial intelligence (AI) in accelerating materials science discovery, particularly for energy applications and materials operating in extreme environments. We discuss pioneering self-driving laboratories at NREL designed to intelligently probe material synthesis and degradation across multiple scales, aiming to rapidly bridge the gap between atomic-level understanding and the development of high-performance, reliable materials. Utilizing advanced machine learning techniques, such as few-shot learning and multimodal analysis integrating imaging and spectroscopy, we demonstrate methods to extract actionable descriptors for material behavior, quantify complex microstructural evolution, and statistically link synthesis parameters to defect populations. This AI-driven approach promises to accelerate the creation of predictive materials tailored for specific missions, enabling faster development cycles and enhanced material assurance.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Seeing is Believing: Autonomous Microscopy and the Data Revolution in Materials Science

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1988

Extension of a drought monitoring and vegetation classification methodology to the western Sahel

Biomass of growing vegetation over large semiarid regions can be estimated by digital manipulation of data from the AVHRR on NOAA polar-orbiting satellites. Here, the African Sahel is classified using a methodology which incorporates both the normalized difference and CAUSE procedures for the monitoring of vegetation during drought conditions. Preliminary analysis of color IR photographs taken on Space Shuttle missions indicates that such photographs can be digitized, registered to maps and other images, and utilized to fill temporal gaps in the historical record of data from unmanned satellites.

Mohler, Robert R. J.↗

NASA NTRS1990

Improved Stress Analysis Of Multicomponent Rotors

Suitable formulation of finite-element model speeds computation. Improved method developed for analysis of stress and compatibility of components in multicomponent rotating assembly. In method, single finite-element mathematical model represents all of components. Made possible by use of gap elements to represent contact surfaces between components.

Carek, Gerald A.↗

NASA NTRS2005

STS-114: Discovery Day 5 Post MMT Briefing

Wayne Hill, Space Shuttle Deputy Program Manager, and Chair of the Mission Management Team, reports the following: the testing of the thermal protection system in space, on orbit was successful; the MMT meeting formally approved the mission extension for one day; image analysis from the launch phase has been completed; tile and blankets had been formally cleared by the Engineering team; additional inspection of the reinforced carbon-carbon (RCC); gap filler, heat shield and small black spot phenomenon are carefully inspected and evaluated to prepare the safe return of the Discovery. Bill Gerstenmaier, ISS Program Manager reports on the extra vehicular activities (EVA): replaced the GPS antenna; prepared the airlock to attach the ESP2; re-powered CMG2; transfer of CWCs; and the MISSE packages were wrapped around thru at the end of the air lock. He mentioned the high currents problem seen on CMG3, which they will have to take off line to check and understand the problem. Consumables, engineering performance of the three sensors (LCS, LDRI, ITVC), CMG removal and replacement, EVA2 and EVA3, gap fillers, RCC, hydrogen tank pre-press cycles, thermal protection system, inspection, ISS supply maintenance, and projection of next flight are topics covered with the News Media.

Source record↗

NASA NTRS2016

A Comparison of the Noise Characteristics of a Conventional Slat and Krueger Flap

An aeroacoustic test of two types of leading-edge high-lift devices has been conducted in the NASA Langley Quiet Flow Facility. The test compares a conventional slat with a notional equivalent-mission Krueger flap. The test matrix includes points that allow for direct comparison of the conventional and Krueger devices for equivalent-mission configurations, where the two high-lift devices satisfy the same lift requirements for a free air flight path at the same cruise airfoil angle of attack. Measurements are made for multiple Mach numbers and directivity angles. Results indicate that the Krueger flap shows similar agreement to the expected power law scaling of a conventional flap, both in terms of Strouhal number and fixed frequency (as a surrogate for Helmholtz number). Directivity patterns vary depending on the specific slat and Krueger orientations. Varying the slat gap while holding overlap constant has the same influence on both the conventional slat and Krueger flap acoustic signature. Closing the gap shows dramatic reduction in levels for both devices. Varying the Krueger overlap has a different effect on the data when compared to varying the slat overlap, but analysis is limited by acoustic sources that regularly present themselves in model-scale wind tunnel testing but are not present for full-scale vehicles. The Krueger cavity is found to have some influence on level and directivity, though not as much as the other considered parameter variations. Overall, while the spectra of the two devices are different in detail, their scaling behavior for varying parameters is extremely similar.

Bahr, Christopher J.↗

NASA NTRSDate not supplied

Overview and Initial Results of DIGMARS: Digging Iceland Geology for Mars Analog Research Science

Preserved in the sedimentary rocks of Mars is a rich record of ancient surface environments and burial diagenesis. Sequences of sandstones and mudstones that indicate sedimentation in deltaic and lacustrine environments have been encountered by the Curiosity rover in Gale crater and likely will be by the Perseverance rover in Jezero crater [1-3]. The compositional variability in these sedimentary rocks points to a complex diagenetic story that bears significantly on the basin history and early martian environment. Because interaction of percolating groundwaters and with unconsolidated sediments is a process commonly observed in lacustrine environments on Earth [4], groundwater has been invoked to develop a sedimentary history for Gale crater [e.g., 5-9]. Unique conceptual models, each with their own implications for the paleoenvironment and hydrologic conditions have been put forward. However, we currently lack a terrestrial reference frame for groundwater-driven diagenesis in a basalt dominated watersheds on Earth. The Digging Iceland Geology for Mars Analog Research Science (DIGMARS) project aims to close this research gap, with the goal of exploring groundwater-sediment interaction from lakes around Iceland. Here, we present the initial results for the 2021 field campaign and the laboratory analysis of aqueous and sediment samples.

M T Thorpe↗

NASA NTRS2024

Soil Salinity Level Assessment and Prediction Integrating UAV-borne Hyperspectral Imaging and Machine Learning Algorithms to Combat Desertification

In response to the ongoing global food crisis, the United Nations has identified “Zero Hunger” as one of its Sustainable Development Goals. A central contributor to the crisis is the process in which agricultural lands go through desertification. Research has shown a direct correlation between soil salinity and desertification - increased salinity levels indicate a higher risk for desertification. Furthermore, researchers have explored various techniques to map soil salinity, but these methods are oftentimes inefficient and don’t address future salinity predictions. To improve desertification monitoring, soil salinity can be observed via hyperspectral imaging on unmanned aerial vehicles (UAVs) to predict the risk of agricultural desertification using artificial intelligence (AI) and machine learning (ML) techniques. A significant gap exists in past research that applies ML and imaging techniques to soil salinity: convolutional neural networks (CNNs) and regression models are rarely leveraged together, despite the efficiency and accuracy of these models. To compensate for this gap, the proposed system leverages the use of these AI and ML models to improve soil assessment and prediction techniques. This approach involves three steps - data collection, image analysis, and future prediction. Using hyperspectral cameras on UAVs to collect the data from the region, a trained CNN model will output estimated soil salinity levels at a specific time. The estimations will then be analyzed by a regression model to assess the accuracy of future soil salinity predictions. The proposed system will identify regions at risk of desertification to help farmers mitigate agricultural loss, in turn helping alleviate the food crisis.

UAV systems↗

NASA NTRSDate not supplied

The NASA Jitter Handbook Development Activity: A Multidisciplinary Collaborative Effort

Spaceflight missions hosting high-performance vibration-sensitive optical sensor payloads with stringent pointing stability requirements are especially challenged in the areas of predicting, managing, controlling, and testing spacecraft line-of-sight (LoS) jitter. The community recognizes that this is a formidable multidisciplinary engineering task. However, while some textbooks and references in the aerospace literature may touch on the subject of jitter, important details of specific flight proven methodologies and techniques used by today’s jitter engineering practitioners are not readily accessible. There is no know engineering reference document with guidelines and best practices for managing and mitigating space-craft jitter. To fill this knowledge gap the NASA Engineering and Safety Center (NESC) has undertaken the task of developing a NASA Jitter Handbook which would include lessons learned and best practices for design, analysis, and test, along with operational guidelines to mitigate jitter. In this paper the plan for this handbook development will be described along with the envisioned handbook framework, key NASA stakeholders, and potential envisioned jitter engineering case studies. Opportunities exist technical collaboration on this handbook with NASA-external organizations.

Christopher D'Souza↗

DOE OSTI2025

Electronic Structure of the Au Nanoparticle-TiO 2 Heterojunction: Influence of Nanoparticle Size, Shape, Oxygen Vacancies, and Temperature

The electronic structure of the gold nanoparticle-titanium dioxide (AuNP-TiO 2 ) heterojunction plays a critical role for charge transfer and recombination dynamics that underpin its photocatalytic function. However, building a representative model to capture the key physics remains a significant challenge. Here, we investigate the influence of the AuNP size and shape, as well as oxygen vacancy (V O ) defects at the anatase-phase TiO 2 (101) surface and the temperature of the heterojunction, on its interfacial electronic properties. Using density functional theory (DFT), we compare the closed-shell Au 20 and open-shell Au 19 clusters interfaced with pristine and V O defect TiO 2 surfaces. We find that the presence of a V O defect transforms pure TiO 2 from a p-type to an n-type semiconductor, reversing the interfacial band bending from downward to upward. For the heterosystem, density of states (DOS) analysis shows that V O minimally affects the open-shell Au 19 -TiO 2 system, but it significantly alters the closed-shell Au 20 -TiO 2 system, converting it from p-type to n-type at the Γ-point at 0 K. Furthermore, ab initio molecular dynamics (AIMD) simulations at 300 K reveal significant thermal fluctuations in AuNP positions relative to the TiO 2 surface. These fluctuations result in dynamic variations in the gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) in all systems studied: Au 19 NP-Pristine TiO 2 , Au 20 NP-Pristine TiO 2 , Au 19 NP-V O defect TiO 2 , and Au 20 NP-V O defect TiO 2 . Complementary Bader charge analysis performed at both 0 K and finite-temperature AIMD snapshots supports the emergence of an upward band bending and the formation of a Schottky barrier at the V O containing heterojunctions. Notably, we find that at finite temperature, an Au atom can dynamically passivate the V O , leading to a pronounced widening of the HOMO-LUMO gap in the AuNP-V O defect TiO 2 heterojunctions. Our computational findings underscore the pivotal role of the V O defect and thermal effects in modulating interfacial band alignment, electronic states, and HOMO-LUMO gaps, providing insights for designing Au-TiO 2 heterojunctions with tailored electronic properties.

Mora Perez, Carlos [Lawrence Berkeley National Lab↗

DOE OSTI2026

Free Energy and Flexibility Analysis of Autoinhibited Human BRAF

The RAF serine/threonine protein kinases function as direct effectors of RAS in the intracellular transmission of extracellular growth signals, and they are key targets for drug discovery, given the high incidence of oncogenic mutations in RAF and other components of this signaling pathway. In its inactive state, RAF is held in an autoinhibited conformation in the cytosol through a combination of intramolecular interactions and binding to a regulatory 14−3−3 protein dimer. Activation of RAF is initiated by its interaction with membrane-localized GTP-bound RAS, which induces conformational changes that release RAF from its autoinhibited state. However, the molecular mechanisms governing RAF activation remain incomplete, largely due to the challenges in experimentally capturing the intermediate conformational states in this process. To address this gap, we developed a comprehensive all-atom model of BRAF based on existing cryo-EM structures. Using this model, we performed extensive molecular dynamics simulations to evaluate the stability and free energy landscape of autoinhibited BRAF in solution. Our analysis reveals conformational flexibility within the autoinhibited complex, suggesting that this dynamic behavior may play a role in facilitating BRAF activation upon engagement with the membrane-bound RAS.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2002

The Neutral Gas Desorption and Breakdown on a Metal-Dielectric Junction Immersed in a Plasma

New results are presented of an experimental study and theoretical analysis of arcing on metal-dielectric junctions immersed in a low-density plasma. Two samples of conventional solar arrays have been used to investigate the effects of arcing within a wide range of neutral gas pressures, ion currents, and electron number densities. All data (except video) were obtained in digital form that allowed us to study the correlation between external parameters (plasma density, additional capacitance, bias voltage, etc) and arc characteristics (arc rate, arc current pulse width and amplitude, gas species partial pressures, intensities of spectral lines, and so on). Arc sites were determined by employing a video-camera, and it is shown that the most probable sites for arc inception are trip le-junctions, even though some arcs were initiated in gaps between cells. The effect of surface conditioning (decrease of arc rate due to outgassing) was clearly demonstrated. Moreover, a considerable increase in arc rate due to absorption of molecules from atmospheric air has been confirmed. The analysis of optical spectra (240-800 nm) reveals intense narrow atomic lines (Ag, H) and wide molecular bands (OH, CH, SiH, SiN) that confirm a complicated mechanism of arc plasma generation. The rate of plasma contamination due to arcing was measured by employing a mass-spectrometer. These measurements provided quite reliable data for the development of a theoretical model of plasma contamination, In conclusion, the arc threshold was increased to above 350 V (from 190 V) by keeping a sample in vacuum (20 micronTorr) for seven days. The results obtained are important for the understanding of the arc inception mechanism, which is absolutely essential for progress toward the design of high voltage solar arrays for space applications.

Vayner, Boris↗

DOE OSTI2023

Temperature-Dependent Optical and Structural Properties of Chiral Two-Dimensional Hybrid Lead-Iodide Perovskites

Layered hybrid halide perovskites gain chirality via the incorporation of chiral organic cations in the spacer layer. These so-called chiral two-dimensional (2D) halide perovskites have attracted considerable interest recently for chiral optoelectronic, spintronic, and ferroelectric applications. However, the effect of temperature on these materials, especially how the structure changes with temperature and its impact on the chiral optoelectronic properties, remains an open question. Here, we study the effect of temperature change on chiral optoelectronic and structural properties through temperature-dependent circularly polarized photoluminescence (CPPL) microscopy and synchrotron powder X-ray diffraction as well as pair distribution function analysis to elucidate the intrinsic chiral optoelectronic and structural variations for R-, S-, and racemic-methylbenzylamine lead iodide. Here our results show that the temperature-induced band gap changes indicate a strong electron–phonon coupling compared to the thermal-induced lattice expansion in chiral 2D perovskites. From powder diffraction measurements, a monotonic lattice expansion is observed on heating with no structural phase transitions over 90–360 K detected for the three samples studied herein. Locally, a strongly anisotropic and even negative expansion in some components of the instantaneous Pb–I pair-distance distribution is suggestive of coupling between dynamical intralayer distortions and lattice expansion. This work provides insights into the fundamental understanding of the temperature effect on chiral optoelectronic and structural properties of chiral 2D perovskites, which can lead to new chiral materials design strategies for future chiral optoelectronic applications.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Mapping out the emergence of topological features in the highly alloyed topological Kondo insulators Sm 1-$x$ M $x$ B 6 ( M =Eu, Ce)

SmB 6 is a strongly correlated material that has been attributed as a topological insulator and a Kondo insulator. Recent studies have found the topological surface states and low temperature insulating character to be profoundly robust against magnetic and nonmagnetic impurities. Here, we use angle resolved photoemission spectroscopy to chart the evolution of topologically linked electronic structure features versus magnetic doping and temperature in Sm 1-$x$ M $x$ B 6 ( M =Eu, Ce). Topological coherence phenomena are observed out to ~30% Eu and 50% Ce concentrations that represent extreme nominal hole and electron doping, respectively. Finally, theoretical analysis reveals that a recent redesignation of the topologically inverted band symmetries provides a natural route to reconciling the persistence of topological surface state emergence even as the insulating gap is lost through decoherence.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Microwave Imaging of Edge Conductivity in Graphene at Charge Neutrality and Quantum Hall States

Here, we report local conductivity imaging of edge states in monolayer graphene by millikelvin microwave impedance microscopy. At the charge-neutrality point, as the magnetic field increases, the local conductivity at the edge drops to zero more slowly than in the bulk. This behavior is consistent with the calculated spatial profile of the charge gap in the canted antiferromagnetic phase. For comparison, we also perform microwave imaging of integer quantum Hall states away from neutrality, which host dissipationless chiral edge channels. The evolution of the edge signal as a function of the bulk gap is fundamentally different between the Landau level filling factor 𝜈 = 0 and |𝜈| ≥ 1 integer quantum Hall states, which can be qualitatively explained by numerical simulations and theoretical analysis. Our results provide a comprehensive microscopic picture of the edge and bulk states as the Fermi level moves across the unique Landau-level spectrum of graphene.

Hall effect↗

DOE OSTI2024

Drilling Down I/O Bottlenecks with Cross-layer I/O Profile Exploration

I/O performance monitoring tools such as Darshan and Recorder collect I/O-related metrics on production systems and help understand the applications' behavior. However, some gaps prevent end-users from seeing the whole picture when it comes to detecting and drilling down to the root causes of I/O performance slowdowns and where those problems originate. These gaps arise from limitations in the available metrics, their collection strategy, and the lack of translation to actionable items that could advise on optimizations. This paper highlights such gaps and proposes solutions to drill down to the source code level to pinpoint the root causes of I/O bottlenecks scientific applications face by relying on cross-layer analysis combining multiple performance metrics related to I/O software layers. We demonstrate with two real applications how metrics collected in high-level libraries (which are closer to the data models used by an application), enhanced by source-code insights and natural language translations, can help streamline the understanding of I/O behavior and provide guidance to end-users, developers, and supercomputing facilities on how to improve I/O performance. Using this cross-layer analysis and the heuristic recommendations, we attained up to 6.9× speedup from run-as-is executions.

Ather, Hammad↗