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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Triton Field Trials - Changes in Habitats, a Literature Review of Monitoring Technologies

Marine energy devices are installed in highly dynamic environments and have the potential to affect benthic and pelagic habitats around them. Regulatory bodies often require baseline characterization and/or post-installation monitoring to determine whether changes in these habitats are being observed. However, a great diversity of technologies is available for surveying and sampling marine habitats. Selecting the most suitable instrument to identify and measure changes in habitats at marine energy sites can become a daunting task. We conducted a thorough review of journal articles, survey reports, and grey literature to extract information about the technologies used, the data collection and processing methods, and the performance and effectiveness of these instruments. We examined documents related to marine energy development, offshore wind farms, oil and gas offshore sites, and other marine industries around the world over the last 20 years, as well as national and international guidelines for surveying habitats around offshore activities. A total of 120 different technologies were identified across six main habitat categories: seafloor, sediment, infauna, epifauna, pelagic, and biofouling. The technologies were organized into 12 broad technology classes: acoustic, corer, dredge, grab, hook and line, net and trawl, plate, remote sensing, scrape samples, trap, visual, and others. Visual was the most common and the most diverse technology class, with applications across all six habitat categories. Sampling designs varied considerably among the reviewed studies but transect was the predominant design for surveying seafloor, epifauna, and pelagic habitats. The most common data analyses were univariate and multivariate statistical analyses aimed at calculating and comparing biodiversity indices, characterizing faunal assemblages or sediment classes, or modeling the distribution of animals related to abiotic parameters. Technologies and sampling methods adaptable and designed to work efficiently in energetic environments have greater success at marine energy sites. In addition, sampling designs and statistical analyses should be carefully thought through to identify differences in faunal assemblages and spatiotemporal changes in habitats.

16 TIDAL AND WAVE POWER↗
NASA NTRS2010

High C/O Chemistry and Weak Thermal Inversion in the Extremely Irradiated Atmosphere of Exoplanet WASP-12b

The carbon-to-oxygen ratio (C/O) in a planet provides critical information about its primordial origins and subsequent evolution. A primordial C/O greater than 0.8 causes a carbide-dominated interior as opposed to the silicate-dominated composition as found on Earth; the solar C/O is 0.54. Theory, shows that high C/O leads to a diversity of carbon-rich planets that can have very different interiors and atmospheres from those in the solar system. Here we report the detection of C/O greater than or equal to 1 in a planetary atmosphere. The transiting hot Jupiter WASP-12b has a dayside atmosphere depleted in water vapour and enhanced in methane by over two orders of magnitude compared to a solar-abundance chemical equilibrium model at the expected temperatures. The observed concentrations of the prominent molecules CO, CH4, and H2O are consistent with theoretical expectations for an atmosphere with the observed C/O = 1. The C/O ratios are not known for giant planets in the solar system, although they are expected to equal the solar value. If high C/O ratios are common, then extrasolar planets are likely very different in interior composition, and formed very differently, from expectations based on solar composition, potentially explaining the large diversity in observed radii. We also find that the extremely irradiated atmosphere (greater than 2500 K) of WASP-12b lacks a prominent thermal inversion, or a stratosphere, and has very efficient day-night energy circulation. The absence of a strong thermal inversion is in stark contrast to theoretical predictions for the most highly irradiated hot-Jupiter atmospheres.

Madhusudhan, Nikku↗
NASA NTRS1990

Autonomous control

KSC has been developing the Knowledge-Based Autonomous Test Engineer (KATE), which is a tool for performing automated monitoring, diagnosis, and control of electromechanical devices. KATE employs artificial intelligence computing techniques to perform these functions. The KATE system consists of a generic shell and a knowledge base. The KATE shell is the portion of the system which performs the monitoring, diagnosis, and control functions. It is generic in the sense that it is application independent. This means that the monitoring activity, for instance, will be performed with the same algorithms regardless of the particular physical device being used. The knowledge base is the portion of the system which contains specific functional and behavorial information about the physical device KATE is working with. Work is nearing completion on a project at KSC to interface a Texas Instruments Explorer running a LISP version of KATE with a Generic Checkout System (GCS) test-bed to control a physical simulation of a shuttle tanking system (humorously called the Red Wagon because of its color and mobility). The Autonomous Control System (ACS) project supplements and extends the KATE/GCS project by adding three other major activities. The activities include: porting KATE from the Texas Instruments Explorer machine to an Intel 80386-based UNIX workstation in the LISP language; rewriting KATE as necessary to run on the same 80386 workstation but in the Ada language; and investigating software and techniques to translate ANSI Standard Common LISP to Mil Standard Ada. Primary goals of this task are as follows: (1) establish the advantages of using expert systems to provide intelligent autonomous software for Space Station Freedom applications; (2) determine the feasibility of using Ada as the run-time environment for model-based expert systems; (3) provide insight into the advantages and disadvantagesof using LISP or Ada in the run-time environment for expert systems; and (4) compare the performance of the 80386 processor to a symbolic processor as a delivery vehicle for expert systems.

Brown, Barbara↗
NASA NTRS1993

Derivation of the midinfrared (5.0-25.0 micron) optical constants of hydrous carbonate and sulfate

There is ample theoretical and observational evidence suggesting liquid water was once stable at the surface of Mars. Because water is essential to the evolution of life, it is important to understand the types of environments in which the liquid water was present. For example, if water were present early in Mars' history, then this raises the possibility that biological activity may have evolved only to eventually become extinct as liquid water became scarce. Alternatively, if liquid water were stable only later in Mars' history, then it becomes problematic to envision mechanisms by which biological activity evolved and remained viable without water until more favorable conditions existed. Even without biological activity, atmospheric carbon dioxide dissolved in water can assist the chemical weathering of primary igneous minerals producing common secondary phases such as hydartes, carbonates, and sulfates. While the identification of hydrates, carbonates, and sulfates on Mars cannot provide direct evidence of biological activity, it can provide significant information regarding the presence and duration of an environment that would support the presence of liquid water at the surface. The specific mineralogy of these secondary phases can provide insight into the environments of their formation. For example, the slow precipitation that occurs in large standing bodies of water, e.g. oceans or lakes, commonly results in the formation of calcite, magnesite, dolomite, siderite, and rhodochrosite. Rapid precipitation that occurs in ephemeral bodies of water, e.g. hypersaline lakes or playas, can result in the formation of all of the above phases as well as aragonite, vaterite, hydrated carbonates, alkali carbonates, bicarbonates, and other poorly ordered phases. Absorption features identified in recent near-infrared spectra of Mars have been interpreted as being due to bicarbonate and bisulfate located in the mineral scaplite. Spectral data returned by the Mariner 6 and 7 spacecraft have been inerpreted as remaining consistent with the presence of hydrated carbonates. Additional, airborne thermal infrared spectra of Mars have been interpreted as implying the presence of carbonates, sulfates, and hydrates. Modeling of the thermal infrared data relied upon the optical constants of calcite anhydrite and a mixture of water in basalt because of their availability. The derived abundances of carbonate and sulfate were 1-3 percent and 10-15 percent by volume. However, the observed complexity and positions of the bands suggested other carbonate-, and sulfate-bearing species. We have already derived optical constants for hydrous and anhydrous silicates, and we are now applying these techniques to the derivation of the optical constants of hydrous carbonate and sulfate.

Roush, Ted L.↗
DOE OSTI2026

Effect of Solvent on the Local Structure, Dynamics, and Vibrational Density of States in Sn-BEA Zeolite

Lewis acid zeolites are attractive catalysts for epoxidation and biomass valorization, as they are highly active and selective in the liquid phase and can operate at or near ambient conditions. While a rich experimental literature exists on liquid-phase Lewis acid zeolite catalysis, our understanding of the molecular organization and solvent dynamics in the vicinity of Lewis acid sites with differing metal site speciation remains limited. In this work, we investigate the molecular coordination and diffusion of two common solvents (methanol and water) around the closed and open Sn-BEA zeolite active sites using molecular dynamics simulations with a machine-learned interatomic potential trained on ab initio molecular dynamics trajectories. Molecular dynamics simulations reveal that introducing active sites significantly enhances local order in the first and second solvation shells compared to the pure silica case. For methanol, both closed and open active sites are singly coordinated, while more than two water molecules coordinate the open site. In contrast to methanol, we observed that water molecules dissociate, leading to the formation of additional Sn-OH and silanol groups away from the active site. The diffusion coefficients of water and methanol are functions of the solvent population in the pore. Here, our work provides insights into how active site speciation in Lewis acid zeolites affects solvent coordination, diffusion, and vibrational signature. This information is foundational for catalyst design and optimization of liquid-phase catalytic processes in zeolites. It also demonstrates the suitability of machine-learned interatomic potentials for modeling reactive systems, enabling sufficiently long trajectories for appropriate statistical averaging.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1997

The Cretaceous-Tertiary Impact Crater and the Cosmic Projectile that Produced it

Evidence gathered to date from topographic data, geophysical data, well logs, and drill-core samples indicates that the buried Chicxulub basin, the source crater for the approximately 65 Ma Cretaceous-Tertiary (K/T) boundary deposits, is approximately 300 km in diameter. A prominent topographic ridge and a ring of gravity anomalies mark the position of the basin rim at approximately 150 km from the center. Wells in this region recovered thick sequences of impact-generated breccias at 200-300 m below present sea level. Inside the rim, which has been severely modified by erosion following impact, the subsurface basin continues to deepen until near the center it is approximately 1 km deep. The best planetary analog for this crater appears to be the 270 km-diameter Mead basin on Venus. Seismic reflection data indicate that the central zone of downward displacement and excavation (the transient crater is approximately 130 km in diameter, consistent with previous studies of gravity anomaly data). Our analysis of projectile characteristics utilizes this information, coupled with conventional scaling relationships, and geochemical constraints on the mass of extraterrestrial material deposited within the K/T boundary layer. Results indicate that the Chicxulub crater would most likely be formed by a long-period comet composed primarily of nonsilicate materials (ice, hydrocarbons, etc.) and subordinate amounts (less than or equal to 50 percent) primitive chondritic material. This collision would have released the energy equivalent to between 4 x 10(exp 8) and 4 x 10(exp 9) megatons of TNT. Studies of terrestrial impact rates suggest that such an event would have a mean production rate of approximately 1.25 x 10(exp -9) y(exp -1). This rate is considerably lower than that of the major mass extinctions over the last 250 million years (approximately 5 x 10(exp -7) y(exp -1). Consequently, while there is substantial circumstantial evidence establishing the cause-effect link between the Chicxulub basin forming event and the K/T biological extinctions, the results of our analysis do not support models of impact as a common or singular causative agent of mass extinctions on Earth.

Sharpton, Virgil L.↗
NASA NTRS2007

Multi-Sensor Testing for Automated Rendezvous and Docking Sensor Testing at the Flight Robotics Laboratory

The Exploration Systems Architecture defines missions that require rendezvous, proximity operations, and docking (RPOD) of two spacecraft both in Low Earth Orbit (LEO) and in Low Lunar Orbit (LLO). Uncrewed spacecraft must perform automated and/or autonomous rendezvous, proximity operations and docking operations (commonly known as AR&D). The crewed missions may also perform rendezvous and docking operations and may require different levels of automation and/or autonomy, and must provide the crew with relative navigation information for manual piloting. The capabilities of the RPOD sensors are critical to the success of the Exploration Program. NASA has the responsibility to determine whether the Crew Exploration Vehicle (CEV) contractor proposed relative navigation sensor suite will meet the requirements. The relatively low technology readiness level of AR&D relative navigation sensors has been carried as one of the CEV Project's top risks. The AR&D Sensor Technology Project seeks to reduce the risk by the testing and analysis of selected relative navigation sensor technologies through hardware-in-the-loop testing and simulation. These activities will provide the CEV Project information to assess the relative navigation sensors maturity as well as demonstrate test methods and capabilities. The first year of this project focused on a series of"pathfinder" testing tasks to develop the test plans, test facility requirements, trajectories, math model architecture, simulation platform, and processes that will be used to evaluate the Contractor-proposed sensors. Four candidate sensors were used in the first phase of the testing. The second phase of testing used four sensors simultaneously: two Marshall Space Flight Center (MSFC) Advanced Video Guidance Sensors (AVGS), a laser-based video sensor that uses retroreflectors attached to the target vehicle, and two commercial laser range finders. The multi-sensor testing was conducted at MSFC's Flight Robotics Laboratory (FRL) using the FRL's 6-DOF gantry system, called the Dynamic Overhead Target System (DOTS). The target vehicle for "docking" in the laboratory was a mockup that was representative of the proposed CEV docking system, with added retroreflectors for the AVGS. The multi-sensor test configuration used 35 open-loop test trajectories covering three major objectives: (1) sensor characterization trajectories designed to test a wide range of performance parameters; (2) CEV-specific trajectories designed to test performance during CEV-like approach and departure profiles; and (3) sensor characterization tests designed for evaluating sensor performance under more extreme conditions as might be induced during a spacecraft failure or during contingency situations. This paper describes the test development, test facility, test preparations, test execution, and test results of the multi-sensor series of trajectories.

Brewster, L.↗
NASA NTRS2008

Multi-Sensor Testing for Automated Rendezvous and Docking Sensor Testing at the Flight Robotics Lab

The Exploration Systems Architecture defines missions that require rendezvous, proximity operations, and docking (RPOD) of two spacecraft both in Low Earth Orbit (LEO) and in Low Lunar Orbit (LLO). Uncrewed spacecraft must perform automated and/or autonomous rendezvous, proximity operations and docking operations (commonly known as AR&D). The crewed missions may also perform rendezvous and docking operations and may require different levels of automation and/or autonomy, and must provide the crew with relative navigation information for manual piloting. The capabilities of the RPOD sensors are critical to the success ofthe Exploration Program. NASA has the responsibility to determine whether the Crew Exploration Vehicle (CEV) contractor-proposed relative navigation sensor suite will meet the requirements. The relatively low technology readiness level of AR&D relative navigation sensors has been carried as one of the CEV Project's top risks. The AR&D Sensor Technology Project seeks to reduce the risk by the testing and analysis of selected relative navigation sensor technologies through hardware-in-the-Ioop testing and simulation. These activities will provide the CEV Project information to assess the relative navigation sensors maturity as well as demonstrate test methods and capabilities. The first year of this project focused on a series of "pathfinder" testing tasks to develop the test plans, test facility requirements, trajectories, math model architecture, simulation platform, and processes that will be used to evaluate the Contractor-proposed sensors. Four candidate sensors were used in the first phase of the testing. The second phase of testing used four sensors simultaneously: two Marshall Space Flight Center (MSFC) Advanced Video Guidance Sensors (AVGS), a laser-based video sensor that uses retroreflectors attached to the target vehicle, and two commercial laser range finders. The multi-sensor testing was conducted at MSFC's Flight Robotics Laboratory (FRL) using the FRL's 6-DOF gantry system, called the Dynamic Overhead Target System (DOTS). The target vehicle for "docking" in the laboratory was a mockup that was representative of the proposed CEV docking system, with added retroreflectors for the AVGS.' The multi-sensor test configuration used 35 open-loop test trajectories covering three major objectives: (l) sensor characterization trajectories designed to test a wide range of performance parameters; (2) CEV-specific trajectories designed to test performance during CEV-like approach and departure profiles; and (3) sensor characterization tests designed for evaluating sensor performance under more extreme conditions as might be induced during a spacecraft failure or during contingency situations. This paper describes the test development, test facility, test preparations, test execution, and test results of the multisensor series oftrajectories

Brewster, Linda L.↗
DOE OSTI2024

Household energy resilience in extreme weather events: An investigation of energy service importance, HVAC usage behaviors, and willingness to pay

Household energy resilience, particularly maintaining essential energy services within an acceptable and affordable level, is critical during extreme weather events (e.g., winter storms, heat waves) with power shortages or outages. However, the research on the importance and acceptable compromise levels of energy services, HVAC usage behavior changes, and willingness to pay (WTP) for energy services during disasters is limited. Therefore, this study investigates the importance and compromise of household energy services, HVAC usage behaviors, and WTP, as three key dimensions of household energy resilience, in both normal days and disaster scenarios through surveys (n=485). First, 12 common residential end-uses are grouped into high, mid, and low-priority services using hierarchical clustering, in which high-priority services (perceived as important and un-compromisable) include food cooking and storage (refrigerator and freezer) and thermal comfort (space heating and cooling), mid-priority services involve water heating and lighting, while low-priority services are mostly related to entertainment and housework (e.g., TV, laundry). Also, HVAC use patterns demonstrate that occupants become more energy conservative during disasters, e.g., reducing durations of running HVAC and adjusting temperature setpoints to save energy. In terms of energy cost, approximately 60% of respondents are willing to pay more to maintain energy services during disasters, although only 13% are prepared to pay over double the normal energy prices. The regression models further reveal that household energy resilience varies across different sociodemographic groups (e.g., age, income, family size) and is impacted by disaster experience and beliefs in clean energy and climate. In conclusion, these research findings provide important perspectives to understand household energy resilience and inform measures for disaster adaptation of households in extreme weather events.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Deep-learning-based workflow for boundary and small target segmentation in digital rock images using UNet++ and IK-EBM

We report three-dimensional (3D) X-ray micro-computed tomography (μCT) has been widely used in petroleum engineering because it can provide detailed pore structural information for a reservoir rock, which can be imported into a pore-scale numerical model to simulate the transport and distribution of multiple fluids in the pore space. The partial volume blurring (PVB) problem is a major challenge in segmenting raw μCT images of rock samples, which impacts boundaries and small targets near the resolution limit. We developed a deep-learning (DL)-based workflow for accurate and fast partial volume segmentation. The DL model's performance depends primarily on the training data quality and model architecture. This study employed the entropy-based-masking indicator kriging (IK-EBM) to segment 3D Berea sandstone images as training datasets. The comparison between IK-EBM and manual segmentation using a 3D synthetic sphere pack, which had a known ground truth, showed that IK-EBM had higher accuracy on partial volume segmentation. We then trained and tested the UNet++ model, a state-of-the-art supervised encoder-decoder model, for binary (i.e., void and solid) and four-class segmentation. We compared the UNet++ with the commonly used U-Net and wide U-Net models and showed that the UNet++ had the best performance in terms of pixel-wise and physics-based evaluation metrics. Specifically, boundary-scaled accuracy demonstrated that the UNet++ architecture outperformed the regular U-Net architecture in the segmentation of pixels near boundaries and small targets, which were subjected to the PVB effect. Feature map visualization illustrated that the UNet++ bridged the semantic gaps between the feature maps extracted at different depths of the network, thereby enabling faster convergence and more accurate extraction of fine-scale features. The developed workflow significantly enhances the performance of supervised encoder-decoder models in partial volume segmentation, which has extensive applications in fundamental studies of subsurface energy, water, and environmental systems.

02 PETROLEUM↗
DOE OSTI2024

Road Lidar Dataset for the TxDOT Austin District

This is a road lidar data collection for developing road elevation models and road inundation mapping methodologies, a joint work between ORNL and The University of Texas at Austin. This dataset is generated as part of the flood transportation infrastructure, partly funded by the NOAA CIROH project. ORNL is a project partner for high-performance computing-empowered flood inundation mapping methodology R&D. The dataset is computed using a GPU-accelerated lidar data processing workflow developed at ORNL. The lidar data source is from TxGIO, the state lidar data collection site. The output dataset is in two formats: laz and copc. It is organized by TxDOT's maintenance sections, covering the Austin District. Data size: 3.86 billion road lidar points, 1.67% of the entire lidar data input Projection: EPSG:32614 (WGS84/UTM zone 14N) Website: https://web.corral.tacc.utexas.edu/nfiedata/road3d/austin_district/AustinMaintenanceSections_H_epsg6343_V_epsg5703/ LICENSE FOR USE -- MAPS AND DATA DISCLAIMER This resource is shared under the Creative Commons Attribution CC BY, http://creativecommons.org/licenses/by/4.0/ MAPS AND DATA DISCLAIMER The Oak Ridge National Laboratory (ORNL) shall not be held liable for improper or incorrect use of the data described or information contained on this map or associated series of maps. The data and related map graphics are not legal, land survey or engineering documents and are not intended to be used as such. ORNL gives no warranty, express or implied, as to the accuracy, reliability, utility or completeness of this information. The user of these maps and data assumes all responsibility and risk for the use of the maps and data. ORNL disclaims all warranties, representations or endorsements either express or implied, with regard to the information contained in this map product, including, but not limited to, all implied warranties of merchantability, fitness for a particular purpose or non-infringement. This preliminary map product is for research and review purposes only. It is not intended to be used for emergency management operational or life safety decisions at the local or regional governmental level or by the general public. Users requiring information regarding hazardous conditions or meteorological conditions for specific geographic areas should consult directly with their city or county emergency management office.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Identification and Quantification of Beta-Emitters in Waste Packages by Segmented Gamma-Scanning - 20114

A commonly applied method for the non-destructive characterization of the radioactive inventory of waste packages (e.g. 200-l drums) is segmented gamma-scanning. The gamma-emitting inventory is identified via their characteristic lines in the measured spectra. The corresponding net peak areas allow for quantification applying appropriate models. The identification and quantification of beta-emitters present in the waste package require further evaluation. While some of them emit gamma-rays, too, which can be used for identification and quantification, pure beta-emitters contribute to the gamma-spectra only by their Bremsstrahlung-spectra. {sup 32}P, {sup 90}Sr and {sup 90}Y are typical representatives of these isotopes. A method is developed for identification and quantification of these pure beta-emitters in radioactive waste packages. Origin of the procedure is the evaluation of the measured gamma-spectrum. After the identification of all lines present in the spectrum (characteristic gamma-lines, single- and double-escape-lines, X-ray-lines, annihilation peak etc.) this information is used together with calibration data of the detection system and further a-priori information like matrix composition, cross-section data from databases etc. to simulate the spectra without the Bremsstrahlung-components by an appropriate method. This may be Monte Carlo simulations or, like in our case, a computer code taking into account mathematical descriptions of the physical effects like photo effect, (multiple) Compton scattering, backscattering etc. and the attenuation effects of the waste matrix. In any case, the resulting spectrum must simulate the real spectrum without its Bremsstrahlung-component as good as possible. Subtracting the simulated from the measured spectrum then results in the Bremsstrahlung-components caused by the beta-emitters. Prior to evaluation, a set of Bremsstrahlung-spectra is calculated and stored for different beta-emitters in different matrices using the Bethe-Heitler equation. This data set can be extended for new conditions, if necessary, and is allocated in a data base for future application. Applying a non-linear optimization using the generalized reduced gradient method for comparing the calculated with the derived Bremsstrahlung-spectra results in the identification of the beta-emitter and a factor, which is proportional to its activity. The proportionality is determined by previous calibration measurements. The application of the method is demonstrated by measurements on a 200-l mock-up drum and a real waste package. (authors)

07 ISOTOPE AND RADIATION SOURCES↗
NASA NTRS2013

Semi-Supervised Eigenbasis Novelty Detection

Recent discoveries in high-time-resolution radio astronomy data have focused attention on a new class of events. Fast transients are rare pulses of radio frequency energy lasting from microseconds to seconds that might be produced by a variety of exotic astrophysical phenomena. For example, X-ray bursts, neutron stars, and active galactic nuclei are all possible sources of short-duration, transient radio signals. It is difficult to anticipate where such signals might appear, and they are most commonly discovered through analysis of high-time- resolution data that had been collected for other purposes. Transients are often faint and difficult to detect, so improved detection algorithms can directly benefit the science yield of all such commensal monitoring. A new detection algorithm learns a low-dimensional linear manifold for describing the normal data. High reconstruction error indicates a novel signal that does not match the patterns of normal data. One unsupervised portion of the manifold model adapts its representation in response to recent data. A second supervised portion of the model is made of a basis trained in advance using labeled examples of RFI; this prevents false positives due to these events. For a linear model, an orthonormalization operation is used to combine these bases prior to the anomaly detection decision. Another novel aspect of the approach lies in combining basis vectors learned in an unsupervised, online fashion from the data stream with supervised basis vectors learned in advance from known examples of false alarms. Adaptive, data-driven detection is achieved that is also informed by existing domain knowledge about signals that may be statistically anomalous, but are not interesting and should therefore be ignored. The method was evaluated using data from the Parkes Multibeam Survey. This data set was originally collected to search for pulsars, which are astronomical sources that emit radio pulses at regular periods. However, several non-pulsar anomalies have recently been discovered in this dataset, making it a compelling test case. By explicitly filtering known false alarm patterns, the approach yields significantly better performance than current transient detection methods.

Wagstaff, Kiri L.↗
NASA NTRSDate not supplied

An Automated Approach to Labelling Datasets in Earth Science Publications

NASA Data Active Archive Centers, orDAACs, ingest, store, and distribute dataacquired from satellites, ground systems as well asreanalysis models. Many authors use this datain their research. However, most of the datasets usedin Earth Science Publications are not citedcorrectly or not cited at all. Thus, there is no directlink between the datasets used and thescientific publications which reference them. Thisleads to issues with reproducibility of theresults, attribution of the research results, anddiscovery of new datasets. This project began byexploring various methods of automatically labellingGoddard Earth Sciences Data andInformation Services Center (GES DISC) datasets usingSupervised Machine Learning and EarthData Search Common Metadata Repository (CMR) queries.The ultimate goal was to create alibrary of citations that utilized automated citationlabeling to directly link the researchpublications to the data they use. Supervised MachineLearning approaches struggled due to thelimited amount of labelled training data to learnfrom. Increasing the volume of training data isdifficult as it requires subject matter experts todevote time to manually reviewing journalarticles and determining the datasets used. The CMRqueries were inconsistent because theunderlying metadata is continuously being updated.Thus, it is hard to generalize theeffectiveness of the CMR results as they are dependenton the internal state of CMR. Theseapproaches helped inform the decision to transitionthe project into using a Knowledge Graph.Another key aspect of this project focused on theautomated extraction of features (platform,instrument, variables, etc) and explicit citationsfrom within Earth Science Publications. Theseautomated extractions were used to classify researchpapers based on their platform/instrumentcouples. This information was input into the CitationManagement System for GES DISC. Theseplatform/instrument couples also provide an additionalfacet that can be searched on the GESDISC website.

Edward Jahoda↗
DOE OSTI2024

Transport of metformin metabolites by guanidinium exporters of the small multidrug resistance family

Proteins from the small multidrug resistance (SMR) family are frequently associated with horizontally transferred multidrug resistance gene arrays found in bacteria from wastewater and the human-adjacent biosphere. Recent studies suggest that a subset of SMR transporters might participate in the metabolism of the common pharmaceutical metformin by bacterial consortia. Here, we show that both genomic and plasmid-associated transporters of the SMRGdx functional subtype export byproducts of microbial metformin metabolism, with particularly high export efficiency for guanylurea. We use solid-supported membrane electrophysiology to evaluate the transport kinetics for guanylurea and native substrate guanidinium by four representative SMRGdx homologs. Using an internal reference to normalize independent electrophysiology experiments, we show that transport rates are comparable for genomic and plasmid-associated SMRGdx homologs, and using a proteoliposome-based transport assay, we show that 2 proton:1 substrate transport stoichiometry is maintained. Additional characterization of guanidinium and guanylurea export properties focuses on the structurally characterized homolog, Gdx-Clo, for which we examined the pH dependence and thermodynamics of substrate binding and solved an x-ray crystal structure with guanylurea bound. Together, these experiments contribute in two main ways. By providing the first detailed kinetic examination of the structurally characterized SMRGdx homolog Gdx-Clo, they provide a functional framework that will inform future mechanistic studies of this model transport protein. Second, this study casts light on a potential role for SMRGdx transporters in microbial handling of metformin and its microbial metabolic byproducts, providing insight into how native transport physiologies are co-opted to contend with new selective pressures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2023

Characterization of Errors in Satellite-Based HCHO/NO 2 Tropospheric Column Ratios With Respect to Chemistry, Column-to-PBL Translation, Spatial Representation, and Retrieval Uncertainties

The availability of formaldehyde (HCHO) (a proxy for volatile organic compound reactivity) and nitrogen dioxide (NO 2 ) (a proxy for nitrogen oxides) tropospheric columns from ultraviolet–visible (UV–Vis) satellites has motivated many to use their ratios to gain some insights into the near-surface ozone sensitivity. Strong emphasis has been placed on the challenges that come with transforming what is being observed in the tropospheric column to what is actually in the planetary boundary layer (PBL) and near the surface; however, little attention has been paid to other sources of error such as chemistry, spatial representation, and retrieval uncertainties. Here we leverage a wide spectrum of tools and data to quantify those errors carefully. Concerning the chemistry error, a well-characterized box model constrained by more than 500 h of aircraft data from NASA's air quality campaigns is used to simulate the ratio of the chemical loss of HO 2 + RO 2 (LRO x ) to the chemical loss of NO x (LNO x ). Subsequently, we challenge the predictive power of HCHO/NO 2 ratios (FNRs), which are commonly applied in current research, in detecting the underlying ozone regimes by comparing them to LRO x /LNO x . FNRs show a strongly linear (R 2 =0.94) relationship with LRO x /LNO x , but only on the logarithmic scale. Following the baseline (i.e., ln(LRO x /LNO x ) = −1.0 ± 0.2) with the model and mechanism (CB06, r2) used for segregating NO x -sensitive from VOC-sensitive regimes, we observe a broad range of FNR thresholds ranging from 1 to 4. The transitioning ratios strictly follow a Gaussian distribution with a mean and standard deviation of 1.8 and 0.4, respectively. This implies that the FNR has an inherent 20 % standard error (1σ) resulting from not accurately describing the RO x –HO x cycle. We calculate high ozone production rates (PO 3 ) dominated by large HCHO × NO 2 concentration levels, a new proxy for the abundance of ozone precursors. The relationship between PO 3 and HCHO × NO 2 becomes more pronounced when moving towards NO x -sensitive regions due to nonlinear chemistry; our results indicate that there is fruitful information in the HCHO × NO 2 metric that has not been utilized in ozone studies. The vast amount of vertical information on HCHO and NO 2 concentrations from the air quality campaigns enables us to parameterize the vertical shapes of FNRs using a second-order rational function permitting an analytical solution for an altitude adjustment factor to partition the tropospheric columns into the PBL region. We propose a mathematical solution to the spatial representation error based on modeling isotropic semivariograms. Based on summertime-averaged data, the Ozone Monitoring Instrument (OMI) loses 12 % of its spatial information at its native resolution with respect to a high-resolution sensor like the TROPOspheric Monitoring Instrument (TROPOMI) (> 5.5 × 3.5 km 2 ). A pixel with a grid size of 216 km 2 fails at capturing ∼ 65 % of the spatial information in FNRs at a 50 km length scale comparable to the size of a large urban center (e.g., Los Angeles). We ultimately leverage a large suite of in situ and ground-based remote sensing measurements to draw the error distributions of daily TROPOMI and OMI tropospheric NO 2 and HCHO columns. At a 68 % confidence interval (1σ), errors pertaining to daily TROPOMI observations, either HCHO or tropospheric NO 2 columns, should be above 1.2–1.5 × 10 16 molec. cm −2 to attain a 20 %–30 % standard error in the ratio. This level of error is almost non-achievable with the OMI given its large error in HCHO. The satellite column retrieval error is the largest contributor to the total error (40 %–90 %) in the FNRs. Due to a stronger signal in cities, the total relative error (< 50 %) tends to be mild, whereas areas with low vegetation and anthropogenic sources (e.g., the Rocky Mountains) are markedly uncertain (> 100 %). Our study suggests that continuing development in the retrieval algorithm and sensor design and calibration is essential to be able to advance the application of FNRs beyond a qualitative metric.

Amir H. Souri↗
DOE OSTI2024

Challenging Common Assumptions of Thick-Wall Chamber Dynamics in Inertial Fusion Systems using MOOSE

As an increasing number of companies look toward commercial Inertial Fusion Energy (IFE) designs, there is a pressing need to understand the physics of thick-wall chamber gas dynamics. The thick liquid wall approach implements a renewable wall to mitigate the fusion target emissions, thereby reducing the radiation damage rate and significantly extending the lifetime of chamber structures, leading to increased plant availability and reduced waste streams in comparison to dry wall chamber designs. It is necessary, however, to assess the critical performance and safety aspects of these systems. For example, it is crucial to predict (1) where the mass ablated from the liquid walls will vent, which determines the placement of condensing surfaces; (2) debris propagation up the beam lines, which provides essential information for design and protection requirements; (3) peak pressures and impulse on chamber walls, which affect chamber structural design; and (4) momentum transfer to the liquid jets, which constrains the shape and positioning of the jets. In turn, the chamber design and its liquid walls affect shielding requirements, material activation, and tritium fuel cycle. Currently available simulation tools, however, are unable to accurately capture key thick-wall chamber dynamics. Significant assumptions are often made to simplify the system and reduce computational cost and modeling capability needs, but the impact of these assumptions on simulation predictions has not been evaluated. For example, no three-dimensional simulations can be found in the open literature to evaluate gas venting and momentum transfer to the jets with simulations using two-dimensional domains to represent complex three-dimensional geometries. Moreover, limited studies have been dedicated to jet breakup due to both turbulence and neutron heating, and no studies have been found that evaluate how jet breakup can impact shock-jet interaction. Furthermore, effects of radiative heat transfer have rarely been included for the hydrodynamic phase of shock propagation, and integration of proper equations of state in shock dynamics codes has been mostly exploratory. In this study, we use the flexible, high-fidelity Multiphysics Object-Oriented Simulation Environment (MOOSE) to model these complex phenomena and inform design and safety studies. Capabilities to model thick-wall chamber gas dynamics are being developed, and the impact of the assumptions listed above (i.e., two-dimensional vs three-dimensional, absence of jet breakout, no radiative heat transfer, and ideal gas behavior) are being quantified.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗