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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 271 records · Page 15

Comparisons of Performance Metrics and Machine Learning Methods on an Entry, Descent, and Landing Database

This work focuses on evaluating machine learning methods and their applicability to the generation of an aerodynamic database, particularly for trajectory analysis of a capsule during entry, descent, and landing with a focus on uncertainty quantification. The source data to be used is the wind tunnel and computational data for the Integrated Design Assessment Team (IDAT) configuration of the Orion project, which has been publicly released. The methods used to generate the proposed databases are designed to naturally include a prediction interval, which will be evaluated both for their mean response as well as how well the prediction interval performs. These machine learning methods are compared to a traditionally generated database used by the Orion team as a baseline. It is found that while these machine learning methods perform well, the Orion database tends to still outperform them showing that engineering experience is still needed to make the best database possible. However, these methods still provide comparable results with significantly less effort.

Orion↗

Extracting Lessons of Resilience Using Machine Mining of the ASRS Database

NASA’s Aviation Safety Reporting System (ASRS) database is the world's largest repository of voluntary, confidential safety information provided by aviation's frontline personnel, including pilots, air traffic controllers, mechanics, flight attendants, dispatchers, and other members of the aviation community and the public. The database contains close to 2 million narratives, many of which describe everyday situations in which people saved the day. In these situations, people’s resilient behavior solved a problem, dealt with a malfunction, and maintained a safe operation despite a serious perturbation. To be able to extract lessons of such resilience from this large database, the use of machine learning algorithms is being explored. In this report, we describe a comparison between two such algorithms: Perilog and Word2Vec. An identical search using both programs was done on a database containing approximately 470,000 ASRS reports submitted between 1988 and 2022. The comparison reveals some of the strength and weaknesses of each algorithm as well as the challenges inherent in using such algorithms to extract lessons of resilience from the ASRS database.

resilience↗

Developing a Hail and Wind Damage Swath Event Database from Daily MODIS True Color Imagery and Storm Reports for Impact Analysis and Applications

Hail and damaging winds are two threats associated with intense and severe thunderstorms that traverse the Midwest and Great Plains during the primary growing season. In certain severe thunderstorm events, large swaths of agricultural crops are impacted, allowing the damage to be viewed from multiple satellite remote sensing platforms. Previous studies have focused on analyzing individual hail and wind damage swaths (HWDSs) using satellite remote sensing, but these swaths have never been officially archived or documented. This lack of documentation has made it difficult to analyze the spatial extent and temporal frequency of HWDSs from year to year. This study utilizes daily true color imagery from MODIS aboard NASA’s Terra and Aqua satellites and daily local storm reports from the Storm Prediction Center to build a database of HWDSs occurring in the months of May through August, for years 2000 through 2020. This database identified 1,646 HWDSs in 12 states throughout the Midwest and Great Plains, confirmed through a combination of archived severe weather warnings, radar information, and official storm reports. For each entry in the HWDS database, a geospatial outline is provided along with the most likely date of first visible damage from MODIS imagery as well as the physical characteristics and time of occurrence estimated from available warnings. This study also provides a summary of the radar characteristics for a portion of the database. This database will further the understanding of severe weather damage by hail and wind to agriculture to help understand the frequency of these events and assist in mapping the impacted areas.

Climatology↗

Implementation of A New Microwave Scattering Database and A Forward Model for Active Microwave Sensors in CRTM

Radiative transfer models are extensively used for the assimilation of satellite observations into NWP models as well as retrieving geophysical products from satellite measurements. CRTM is a community model developed by NOAA JCSDA and widely used for different purposes requiring RT calculations. CRTM requires bulk scattering lookup tables in order to perform all-sky RT calculations. However, the current CRTM lookup tables for microwave frequencies were generated based on the Mie theory by assuming spherical frozen particles. The scattering lookup tables generated using the DDA technique has shown to largely improve the RT scattering calculations in the MW region. This presentation targets (i) the implementation and validation of a DDA database that was originally developed for the ARTS RT model into CRTM, and (ii) developing the CRTM active sensor module that takes advantage of the backscattering coefficients computed using the DDA method. The DDA database only provides single scattering properties of different habits, while CRTM requires bulk scattering properties. The CRTM cloud coefficients were previously generated based on the effective radius for representing the size of the particles. However, effective radius is neither measurable nor provided by the NWP models, thus need to be estimated from other geophysical variables such as water content. Therefore, in addition to calculating the CRTM bulk scattering properties from the DDA single scattering database, the CRTM was also largely modified to use cloud water content (kg.m-3), instead of effective radius, for performing the interpolation over size/mass of the particles. CRTM already requires water content as input, thus no extra variables are required for performing scattering calculations using the new ARTS DDA database. The CRTM scattering modules search for effective radius in cloud coefficient files and will use the cloud water content if the effective radius dimension is not found in the cloud coefficient files. Figure 1 shows the CRTM simulated brightness temperatures computed using different cloud coefficients versus ATMS observed values over Hurricane Irma on September 7, 2017 at 18:00 UTC. We used all the cloud water content values included in ERA5 with default CRTM/DDA habits for water, rain, snow, ice, hail, and graupel. ERA5 does not provide separate water content values for ice, hail, and graupel, thus the ice water content values were divided between ice, hail, and graupel clouds similar to what was explained in the previous section. In channels with a frequency lower than 90 GHz, emission from water and rain clouds can compensate for cloud scattering so that cloud contaminated Tbs are larger than corresponding clear sky Tbs. The DDA simulations for channels 1-7 largely perform better than the Mie simulations. The DDA simulations show a mix of small negative and positive simulated minus observed values, while the Mie results show large negative biases. The weighting functions for some of the ATMS temperature sounding channels (channels 9-15) peak mostly above the clouds, therefore the measured Tbs become less sensitive to clouds so that the results of both Mie and DDA become very similar. The Mie lookup tables generate excessive scattering for channel 16, but not enough scattering for the water vapor channels. In the specific case of Hurricane Maria, the DDA lookup tables do not generate enough scattering for channel 16, but the DDA results are much more consistent with observations for water vapor channels than for channel 16. It should be noted that the results may vary if we use other habits to represent snow, hail, and graupel in the DDA simulations. Although these results clearly show the advantage of the DDA database over the Mie dataset, different error sources such as error in the observations, displacement of clouds in the ERA5 reanalysis, and also lack of convective clouds or in general errors in the input atmospheric and cloud profiles contribute to the differences between the simulated and observed values. Aside from the improvements in the simulations, a major advantage of the new dataset is a large number of habits that can be used to tune the data assimilation systems to perform well in different weather conditions.

Isaac Moradi↗

North American Lithium-Ion Battery Supply Chain Database Development - Phase II

Lithium-ion batteries (LIBs) are used in a wide range of applications, including cell phones, laptops, power tools, electric vehicles, and grid storage, and are essential for economic growth and addressing climate change. However, the significant demand for LIBs has led to supply chain issues for the United States, as China dominates the processing of battery materials and battery production. To address this concern, NAATBatt International, a trade association of North American battery companies, supported the National Renewable Energy Laboratory in developing a database of companies that mine, process, manufacture, reuse, and recycle batteries in North America. The purpose of this database was to identify strengths and gaps in the supply chain, so that private-government partnerships could develop strategies to create a competitive LIB supply chain in the US. NREL published the first version of this database in 2021 and the second version in 2022. The database includes companies that have a manufacturing facility in North America and are engaged in materials, cells, packs, end-of-life management, as well as those involved in LIB battery modeling, distribution, service and repair, and R&D. In this presentation, we will discuss our approach to collecting data and categorizing various segments and products. We will also provide a summary of the data and present various maps to illustrate the distribution of companies in the database.

ADVANCED PROPULSION SYSTEMS,ENERGY STORAGE↗

Development of an Integrated Natural Barrier Database System for Site Evaluation of a Deep Geologic Repository in Korea - 13527

Korea Radioactive-waste Management Corporation (KRMC) established in 2009 has started a new project to collect information on long-term stability of deep geological environments on the Korean Peninsula. The information has been built up in the integrated natural barrier database system available on web (www.deepgeodisposal.kr). The database system also includes socially and economically important information, such as land use, mining area, natural conservation area, population density, and industrial complex, because some of this information is used as exclusionary criteria during the site selection process for a deep geological repository for safe and secure containment and isolation of spent nuclear fuel and other long-lived radioactive waste in Korea. Although the official site selection process has not been started yet in Korea, current integrated natural barrier database system and socio-economic database is believed that the database system will be effectively utilized to narrow down the number of sites where future investigation is most promising in the site selection process for a deep geological repository and to enhance public acceptance by providing readily-available relevant scientific information on deep geological environments in Korea. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

The container database? life-cycle management of container inventories at the Hanford site - 15131

Since 2011 the Department of Energy (DOE) Richland Operations Office (DOE-RL) and their contractor CH2M HILL Plateau Remediation Company (CH2M HILL) have worked together to develop a database that provides life-cycle management and control of all CH2M HILL-managed Department of Transportation (DOT) Type A and Industrial Packaging (IP) container assets at the Hanford Site. This powerful tool provides CH2M HILL with the capability to centrally manage container procurement specifications; maintenance requirements; certificates of conformance; certification and test reports; as-built drawings; and information on container status, location, and ownership; and any special characteristics of container assets. The database was originally developed to provide ready access to Type A and IP container supplier and manufacturer Certificates of Conformance (CoCs) and related certification documentation to support onsite shipments in compliance with the Hanford Site Wide Transportation Safety Document (TSD), DOE/RL-2001-0036, as well as regulatory or other requirements. The information is accessed through active links to these documents within the database itself. The database has grown to include links to external supplementary information to support onsite shipments, such as links to authorized tie downs for each package type, approved packaging and transportation commodities, and approved shipping authorizations, and packaging management procedures and checklists. The database is a living databank that is easily tailored to meet user- and site-specific needs as they are identified. It is currently being expanded to include the inventories of all Hanford contractors, as well as other packaging assets, such as specialty drums and packaging commodities. Each upgrade brings efficiencies and cost savings, not only in container inventory management, but also in the areas of work control, waste packaging, waste transportation, and regulatory compliance. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DUNE Database Development

The DUNE experiment will produce vast amounts of metadata, which describe the data coming from the read-out of the primary DUNE detectors. Various databases will make up the overall DB architecture for this metadata. ProtoDUNE at CERN is the largest existing prototype for DUNE and serves as a testing ground for - among other things - possible database solutions for DUNE. The subset of all metadata that is accessed during offline data reconstruction and analysis is referred to as ‘conditions data’ and it is stored in a dedicated database. As offline data reconstruction and analysis will be deployed on HTC and HPC resources, conditions data is expected to be accessed at very high rates. It is therefore crucial to store it in a granularity that matches the expected access patterns allowing for extensive caching. This requires a good understanding of the sources and use cases of conditions data. This contribution will briefly summarize the database architecture deployed at ProtoDUNE and explain the various sources of conditions data. We will present how the conditions data is retrieved and streamed from the databases and how it is handled to match expected access patterns.

43 PARTICLE ACCELERATORS↗

Defending our public biological databases as a global critical infrastructure

Progress in modern biology is being driven, in part, by the large amounts of freely available data in public resources such as the International Nucleotide Sequence Database Collaboration (INSDC), the world’s primary database of biological sequence (and related) information. INSDC and similar databases have dramatically increased the pace of fundamental biological discovery and enabled a host of innovative therapeutic, diagnostic, and forensic applications. However, as high-value, openly shared resources with a high degree of assumed trust, these repositories share compelling similarities to the early days of the Internet. Consequently, as public biological databases continue to increase in size and importance, we expect that they will face the same threats as undefended cyberspace. There is a unique opportunity, before a significant breach and loss of trust occurs, to ensure they evolve with quality and security as a design philosophy rather than costly “retrofitted” mitigations. Furthermore this Perspective surveys some potential quality assurance and security weaknesses in existing open genomic and proteomic repositories, describes methods to mitigate the likelihood of both intentional and unintentional errors, and offers recommendations for risk mitigation based on lessons learned from cybersecurity.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

BRE‐X Emissions Database for End‐of‐Life Scenarios of Selective Building Construction Materials to Enable Circular Economy in Construction

In the United States, construction and demolition debris predominately end up in landfills with minimal end‐of‐life Re‐X (recover, recycle, reuse, etc.) scenarios, resulting in large environmental impacts and lost opportunities for material recovery. Except for concrete and metals, which seem to have a few well‐defined end‐of‐life pathways, there seems to be a lack of well‐documented end‐of‐life scenarios for other construction materials, let alone their emissions data. Hence, there is a need for documented end‐of‐life Re‐X scenarios and end‐of‐life data of more building materials to motivate widespread use of Re‐X strategies in building design. This paper outlines the efforts of the National Renewable Energy Laboratory, Carbon Leadership Forum, Building Transparency, and Skidmore, Owings & Merrill to (a) create an open‐access BRE‐X (Building Re‐X) end‐of‐life emissions database consisting of greenhouse gas emissions data associated with various end‐of‐life scenarios for a select list of high‐impact building construction materials, and (b) integrate the BRE‐X end‐of‐life emissions database with CAD/BIM/LCA tools for evaluating various end‐of‐life scenarios. The paper also presents a few existing life cycle inventory databases that contain sparse amounts of end‐of‐life data for a few construction materials and their limitations in terms of scaling and data consolidation. Finally, a sample of how the collected data can be ingested into whole‐building LCA tools using open data formats and a public access link to the BRE‐X end‐of‐life emissions database is also included.

36 MATERIALS SCIENCE↗

Large language model-driven database for thermoelectric materials

Thermoelectric materials have the ability to convert waste heat into electricity, offering a valuable solution for energy harvesting. However, their widespread use is hindered by low conversion efficiency, the reliance on expensive rare earth elements, and the environmental and regulatory concerns associated with lead-based materials. A fast and cost-effective way to identify highly efficient thermoelectric materials is through data-driven methods. These approaches rely on robust and comprehensive datasets to train models. Although there are several databases on thermoelectric materials, there is still a need to collect and integrate experimental data from peer-reviewed research articles to capture diverse compositions and properties of materials. Here, in this work, we developed a comprehensive database of 7,123 thermoelectric compounds, containing key information such as chemical composition, structural detail, seebeck coefficient, electrical and thermal conductivity, power factor, and figure of merit (ZT). We used the GPTArticleExtractor workflow, powered by large language models (LLM), to extract and curate data automatically from the scientific literature published in Elsevier journals. This process enabled the creation of a structured database that addresses the challenges of manual data collection. The open access database could stimulate data-driven research and advance thermoelectric material analysis and discovery.

Database↗

An uncertainty-focused database approach to extract spatiotemporal trends from qualitative and discontinuous lake-status histories

Changes in lake status are often interpreted as palaeoclimate indicators due to their dependence on precipitation and evaporation. The Global Lake Status Database (GLSDB) has since long provided a standardised synopsis of qualitative lake status over the last 30,000 14C years. Potential sources of uncertainty however are not recorded in the GLSDB. Here we present an updated and improved relational-database framework that incorporates uncertainty in both chronology and the interpretation of palaeoenvironmental data. The database uses peer-reviewed palaeolimnological studies to produce a consensus on qualitative lake-status histories, whose chronologies are revised and standardized through the recalibration of radiocarbon dates and the application of Bayesian age-depth modelling for stratigraphic archives. Quantitative information on absolute water-level elevation is preserved if available from geomorphological sources. We also propose a new probabilistic analytical framework that accounts for these uncertainties to reconstruct synoptic, integrated environmental signals. The process is based on a Monte Carlo algorithm that iteratively samples individual lake-status histories within the limits of their uncertainties to produce many possible scenarios. We then use Recursively-Subtracted Empirical Orthogonal Function analysis to extract dominant patterns of lake-status variability from these scenarios. As a proof of concept, we apply this framework to 67 sites in eastern and southern Africa whose lake-status histories cover part of the late Pleistocene and/or Holocene. We show that, despite the sometimes large temporal and interpretation uncertainties, and the inclusion of highly discontinuous lake-status time series, identifying the major known millennial-scale climatic phases during the last 20,000 years is possible. Our framework was also able to identify an antiphased response between the lake basins in eastern and interior southern Africa to these changes. Here, we propose that our new database and methodology framework serves as a template for efficient lake-status data synthesis, encourages the incorporation of lake-status data in palaeoclimate syntheses, and expands the possibilities for the use of such data in the evaluation of climate models.

58 GEOSCIENCES↗

Identifying Abandoned Well Sites Using Database Records and Aeromagnetic Surveys

Oil and natural gas are primary sources of energy in the United States. Improved drilling and extracting techniques have led to a renewed interest in historic oil and gas fields, but limited records of legacy wells make new drilling efforts more difficult, as abandoned wells may provide conduits for liquids and gases to migrate into groundwater reservoirs or the atmosphere. Well finding using aeromagnetic surveys pinpoints the location of steel-cased wells, detecting both active and abandoned wells, including buried casings lacking aboveground markers. Here, we present six aeromagnetic surveys conducted in Pennsylvania and Wyoming as case studies, comparing the magnetic points to locations known in databases. In all study sites, more magnetic points were detected than recorded in databases. Based on differences between theoretical database well counts and the actual number of wells detected in surveys, we estimated the total number of wells in Pennsylvania to be 395 000–466 000 and 181 000–182 000 in Wyoming. Extrapolating to the national level, in this work, we estimate the average number of wells in the continental United States is 6.04 ± 19.97 million wells with 1.16 ± 3.84 million of those designated as abandoned wells, within the range of previous abandoned well count estimations. Although aeromagnetic surveys are limited to detecting steel-cased wells and do not differentiate sites based on well status, this study nevertheless demonstrates the utility of aeromagnetic surveys in well finding efforts across the country and shows limitations in database records of oil and natural gas wells.

54 ENVIRONMENTAL SCIENCES↗

An open experimental database for exploring inorganic materials

The use of advanced machine learning algorithms in experimental materials science is limited by the lack of sufficiently large and diverse datasets amenable to data mining. If publicly open, such data resources would also enable materials research by scientists without access to expensive experimental equipment. Here, we report on our progress towards a publicly open High Throughput Experimental Materials (HTEM) Database (htem.nrel.gov). This database currently contains 140,000 sample entries, characterized by structural (100,000), synthetic (80,000), chemical (70,000), and optoelectronic (50,000) properties of inorganic thin film materials, grouped in >4,000 sample entries across >100 materials systems; more than a half of these data are publicly available. This article shows how the HTEM database may enable scientists to explore materials by browsing web-based user interface and an application programming interface. This paper also describes a HTE approach to generating materials data, and discusses the laboratory information management system (LIMS), that underpin HTEM database. Finally, this manuscript illustrates how advanced machine learning algorithms can be adopted to materials science problems using this open data resource.

36 MATERIALS SCIENCE↗

Reflections on one million compounds in the open quantum materials database (OQMD)

Abstract Density functional theory (DFT) has been widely applied in modern materials discovery and many materials databases, including the open quantum materials database (OQMD), contain large collections of calculated DFT properties of experimentally known crystal structures and hypothetical predicted compounds. Since the beginning of the OQMD in late 2010, over one million compounds have now been calculated and stored in the database, which is constantly used by worldwide researchers in advancing materials studies. The growth of the OQMD depends on project-based high-throughput DFT calculations, including structure-based projects, property-based projects, and most recently, machine-learning-based projects. Another major goal of the OQMD is to ensure the openness of its materials data to the public and the OQMD developers are constantly working with other materials databases to reach a universal querying protocol in support of the FAIR data principles.

08 HYDROGEN↗

GraQL: A Query Language for High-Performance Attributed Graph Databases

Graph databases have gained increasing interest in the last few years due to the emergence of data sources which are not easily analyzable in traditional relational models or for which a graph data model is the natural representation. In order to understand the design and implementation choices for an attributed graph database backend and query language, we have started to design our infrastructure for attributed graph databases. In this paper, we describe the design considerations of our in-memory attributed graph database system with a particular focus on the data definition and query language components.

attributed graphs↗

The updated ITPA global H-mode confinement database: description and analysis

The multi-machine ITPA Global H-mode Confinement Database has been upgraded with new data from JET with the ITER-like wall and ASDEX Upgrade with the full tungsten wall. This paper describes the new database and presents results of regression analysis to estimate the global energy confinement scaling in H-mode plasmas using a standard power law. Various subsets of the database are considered, focusing on type of wall and divertor materials, confinement regime (all H-modes, ELMy H or ELM-free) and ITER-like constraints. Apart from ordinary least squares, two other, robust regression techniques are applied, which take into account uncertainty on all variables. Regression on data from individual devices shows that, generally, the confinement dependence on density and the power degradation are weakest in the fully metallic devices. Using the multi-machine scalings, predictions are made of the confinement time in a standard ELMy H-mode scenario in ITER. The uncertainty on the scaling parameters is discussed with a view to practically useful error bars on the parameters and predictions. One of the derived scalings for ELMy H-modes on an ITER-like subset is studied in particular and compared to the IPB98(y,2) confinement scaling in engineering and dimensionless form. Transformation of this new scaling from engineering variables to dimensionless quantities is shown to result in large error bars on the dimensionless scaling. Regression analysis in the space of dimensionless variables is therefore proposed as an alternative, yielding acceptable estimates for the dimensionless scaling. The new scaling, which is dimensionally correct within the uncertainties, suggests that some dependencies of confinement in the multi- machine database can be reconciled with parameter scans in individual devices. This includes vanishingly small dependence of confinement on line-averaged density and normalized plasma pressure (β), as well as a noticeable, positive dependence on effective atomic mass and plasma triangularity. Extrapolation of this scaling to ITER yields a somewhat lower confinement time compared to the IPB98(y, 2) prediction, possibly related to the considerably weaker dependence on major radius in the new scaling (slightly above linear). Further studies are needed to compare more flexible regression models with the power law used here. In addition, data from more devices concerning possible ‘hidden variables’ could help to determine their influence on confinement, while adding data in sparsely populated areas of the parameter space may contribute to further disentangling some of the global confinement dependencies in tokamak plasmas.

Database↗

MicrobesFlux: a web platform for drafting metabolic models from the KEGG database

Concurrent with the efforts currently underway in mapping microbial genomes using high-throughput sequencing methods, systems biologists are building metabolic models to characterize and predict cell metabolisms. One of the key steps in building a metabolic model is using multiple databases to collect and assemble essential information about genome-annotations and the architecture of the metabolic network for a specific organism. To speed up metabolic model development for a large number of microorganisms, we need a user-friendly platform to construct metabolic networks and to perform constraint-based flux balance analysis based on genome databases and experimental results. We have developed a semi-automatic, web-based platform (MicrobesFlux) for generating and reconstructing metabolic models for annotated microorganisms. MicrobesFlux is able to automatically download the metabolic network (including enzymatic reactions and metabolites) of ~1,200 species from the KEGG database (Kyoto Encyclopedia of Genes and Genomes) and then convert it to a metabolic model draft. The platform also provides diverse customized tools, such as gene knockouts and the introduction of heterologous pathways, for users to reconstruct the model network. The reconstructed metabolic network can be formulated to a constraint-based flux model to predict and analyze the carbon fluxes in microbial metabolisms. The simulation results can be exported in the SBML format (The Systems Biology Markup Language). Furthermore, we also demonstrated the platform functionalities by developing an FBA model (including 229 reactions) for a recent annotated bioethanol producer, Thermoanaerobacter sp. strain X514, to predict its biomass growth and ethanol production. MicrobesFlux is an installation-free and open-source platform that enables biologists without prior programming knowledge to develop metabolic models for annotated microorganisms in the KEGG database. Our system facilitates users to reconstruct metabolic networks of organisms based on experimental information. Through human-computer interaction, MicrobesFlux provides users with reasonable predictions of microbial metabolism via flux balance analysis. This prototype platform can be a springboard for advanced and broad-scope modeling of complex biological systems by integrating other “omics” data or 13 C- metabolic flux analysis results.

97 MATHEMATICS AND COMPUTING↗