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

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All sourcesNASA NTRSDOE OSTI
NASA NTRS2018

Public Engagement of Earth Science and Art Using Astronaut Photography

For over fifty years of crewed spaceflight missions, NASA astronauts have taken remarkable photographs of the Earth that offer various perspectives for viewing dynamic Earth processes. The International Space Station (ISS) today provides a unique platform to view and capture imagery of Earth at a variety of viewing angles, seasons, and times of day. Astronaut photos comprise a variable true-color (RGB - Red Green Blue) dataset taken with multiple handheld digital (and historically, film) cameras and lens types that differ from nadir-looking satellite-based remote sensing instruments with fixed temporal and spatial resolutions. The Crew Earth Observations (CEO) Facility within the Earth Science and Remote Sensing Unit at NASA’s Johnson Space Center supports the acquisition, analysis, and curation of astronaut photography of Earth’s surface and atmosphere. CEO’s website, the Gateway to Astronaut Photography of Earth (eol.jsc.nasa.gov), provides free public access to view, search, and download over three million images taken by astronauts from Mercury, Gemini, and Apollo missions to current ISS missions. Handheld images taken by astronauts from the ISS are used for scientific research and public engagement in STEM (Science, Technology, Engineering, Mathematics) fields, particularly earth science. While segments of the public are actively interested in STEM fields, there may be groups who are underexposed to and disinterested in earth science or are unaware of astronaut photography from the ISS. A broader public audience can be introduced to earth science, STEM fields, and ISS research through artistic or abstract photos of the Earth. Wide angle pictures taken of Earth have identifiable landforms and bodies of water, however zoomed in, very high resolution photos without obvious geographic reference can attract new viewing audiences on a purely aesthetic basis. The CEO Facility actively curates a collection of exceptional astronaut photos of Earth as art used to reach a wider population through increased digital products and outreach events. This continuously-updated collection feeds development of freely accessible and high-quality downloadable materials including scientific articles, videos, computer wallpapers, and social media content. These materials are presented with science-based information that augments the artistic qualities of the imagery, and facilitate connection between art-engaged or non-STEM audiences to the ISS research platform and the need for future innovative STEM research.

Meado, Andrea L.↗
NASA NTRSDate not supplied

Populating a Graph Database to Run a Usage-Based Discovery Tool

Most dataset discovery tools for Earth Observation data rely on descriptions and other metadata of the datasets, using keyword searches or attribute filtering to determine relevance. However, these descriptions often do not include the potential uses of the data. Thus, a user working on floods will rarely see few if any rainfall datasets show up in such a search. The Usage Based Discovery tool, on the other hand, offers usage instances to the user, either research articles or applications, along with the datasets that those usage instances used. This allows a user, particularly one new to the world of Earth Observation data, to investigate which datasets are used in similar cases. The information that powers Usage-Based Discovery is a graph database of relationships of usage to dataset and usage to topic, allowing the user to narrow their search for similar cases. In order to scale out to a graph database rich enough to provide a satisfactory user experience, we combine manual and automated processes to populate the graph. The initial content of the graph has been seeded primarily via human-aided data curation methods, using sites like Google Scholar. To scale up this effort, we’ve employed crowdsourcing. It is easy for anyone to contribute to our graph using their Open Researcher and Contributor Identifier for authorization. We’re now experimenting with Machine Learning and Natural Language Processing to help automate population of the graph, starting with the classification of research articles by topic. Finding adequate training data in the absence of a comprehensive and open research article API continues to be a significant challenge.

Vincent Inverso↗
NASA NTRSDate not supplied

Laying the Foundations for FAIR-er Science: ISA and the LSDA Data Submission Process in NASA's Evolving Data Management Environment

The Life Sciences Data Archive (LSDA) archives data resulting from research on the effects of spaceflight on humans and the development of countermeasures to mitigate spaceflight hazards. Archivists work with researchers to ensure that unique and high value data products and their metadata are preserved and managed to support current and future research. Currently, LSDA is updating its procedures and data submission requirements in response to the evolving data preservation environment at NASA. LSDA is implementing best practices for research data management through the establishment of clear data submission guidelines, integration of the FAIR (Findability, Accessibility, Interoperability, Reusability) principles, and use of the ISA (Investigation, Study, Assay) research metadata framework for data discoverability and transparency into the data management processes. These changes directly impact LSDA’s requirements for research data submissions. The newly revised Research Data Submission Agreement (RDSA), formerly the Data Submission Agreement (DSA), introduces ISA-compatible metadata collection standards to LSDA’s process. Adherence to LSDA’s data submission guidelines enhances the FAIR-ness of the repository’s collections for future users. This presentation will discuss (1) how submission of research data and associated metadata are impacted by current data management policies, (2) benefits of the adoption of FAIR principles and the ISA metadata framework for retrospective studies utilizing existing LSDA datasets and historic data collections, and (3) the support LSDA will provide to researchers during this transition.

LSDA↗
DOE OSTI2024

$\mathrm{COBRA}$ improves the completeness and contiguity of viral genomes assembled from metagenomes

Viruses are often studied using metagenome-assembled sequences, but genome incompleteness hampers comprehensive and accurate analyses. Contig Overlap Based Re-Assembly (COBRA) resolves assembly breakpoints based on the de Bruijn graph and joins contigs. Here we benchmarked COBRA using ocean and soil viral datasets. COBRA accurately joined the assembled sequences and achieved notably higher genome accuracy than binning tools. From 231 published freshwater metagenomes, we obtained 7,334 bacteriophage clusters, ~83% of which represent new phage species. Notably, ~70% of these were circular, compared with 34% before COBRA analyses. We expanded sampling of huge phages (≥200 kbp), the largest of which was curated to completion (717 kbp). Improved phage genomes from Rotsee Lake provided context for metatranscriptomic data and indicated the in situ activity of huge phages, whiB-encoding phages and cysC- and cysH-encoding phages. COBRA improves viral genome assembly contiguity and completeness, thus the accuracy and reliability of analyses of gene content, diversity and evolution.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Artificial Intelligence for Accelerating Nuclear Applications, Science, and Technology

Artificial intelligence (AI) and machine learning (ML) methods have had significant impacts in science and technology in recent years. These methods for generating models from datasets or logic-based algorithms that emulate aspects of human performance can similarly accelerate the fields of nuclear applications, science, and technology toward the IAEA goals of contributing to peace, health, and prosperity. In order to accomplish advances with AI in general and ML in particular across these fields, IAEA can play a significant role by establishing, hosting and curating centralised resources, including databases, adhering to FAIR (findable, accessible, interoperable and reusable) principles and Open Science best practices, providing stewardship of data sharing, supporting training efforts and development of relevant workforces, as well as enabling connections among the scientific, technology, mathematics, AI and ethics communities. Many areas can benefit from the use of AI in the realm of nuclear applications. In human health, these areas include clinical research, epidemiology, nutrition, medical imaging, radiotherapy and education of health professionals. AI-based tools are also being used to facilitate different clinical tasks in imaging, computer-assisted diagnosis in mammography and lung cancer screening programmes, and dose prediction in nuclear medicine procedures. ML methods in particular may also increase the efficiency and accuracy of the analysis of computerised tomography and dual-energy absorptiometry scans for body composition and bone analysis. The application of AI methods to nuclear and related technologies in food and agriculture can lead to significant advances and improved efficiency in the optimisation of agricultural production, food product development, management of supply chains, food safety and food authenticity control. In the water and environmental sector, AI can help inform policies to mitigate the world’s water problems. The application of AI techniques to hydrology and environmental sciences is expected to improve patterns identification and enable model predictions under a changing climate.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

A reusable neural network pipeline for unidirectional fiber segmentation

Abstract Fiber-reinforced ceramic-matrix composites are advanced, temperature resistant materials with applications in aerospace engineering. Their analysis involves the detection and separation of fibers, embedded in a fiber bed, from an imaged sample. Currently, this is mostly done using semi-supervised techniques. Here, we present an open, automated computational pipeline to detect fibers from a tomographically reconstructed X-ray volume. We apply our pipeline to a non-trivial dataset by Larson et al . To separate the fibers in these samples, we tested four different architectures of convolutional neural networks. When comparing our neural network approach to a semi-supervised one, we obtained Dice and Matthews coefficients reaching up to 98%, showing that these automated approaches can match human-supervised methods, in some cases separating fibers that human-curated algorithms could not find. The software written for this project is open source, released under a permissive license, and can be freely adapted and re-used in other domains.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

HangulFonts v1.0.0

The software creates the Hangul Fonts data set.The Hangul Fonts Datasets consists of all possible blocks for each font along with a set of labels and features for each block which are common across all fonts. We provide scripts to render each block and font into an image and store them together in an HDF5 file for each font and fontsize specified. Each font has 11,172 possible blocks and we have curated 35 fonts for a total of 391,020 possible images. The spoken consonants and vowel correspond to a set of "initial", "medial", and "final" labels for each block with 19, 21, and 28 classes respectively. In addition, each block can also be assigned a hierarchy label based on the block geometry. Finally, the individual glyphs (atoms) are composed across the initial, medial, and final locations along with potential scalings, translations, or rotations. These features of the data set make it uniquely positioned in the deep representation learning field because of its compositionally and hierarchical organization, while retaining diverse types of variation in the realizations.

Bouchard, Kristofer↗
DOE OSTI2023

DOE STTR Phase I Final Report Report: Machine-learning Based Prediction of Thermal Limits for Conjugated Organic Materials

The SCANN-DT Phase I STTR project led by NLM Photonics and partnering with the National Renewable Energy Laboratory (NREL) sought to apply machine learning techniques based on graph neural networks (GNNs) towards the prediction of decomposition temperatures (Td) of organic semiconductors, based on prior work on bond dissociation energy (BDE) prediction as implemented in NREL’s ALFABET prediction tool. Using a curated set of experimental decomposition energies, the project examined GNN-based, classical quantitative structure-property relationship (QSPR) based on DFT calculations, and combinations of both methods to predict Td. While the best MAEs in Td achieved were near 40°C, below project targets, the project led to improvements in the ALFABET model, improvements in cloud-based implementations of NWChem software, and a substantial dataset of calculations on medium-sized conjugated organic molecules.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2018

Sentinel-5P/TROPOMI and S-NPP/OMPS Data Support at GES DISC

The TROPspheric Monitoring Instrument (TROPOMI) on the Sentinel-5 Precursor (Sentinel-5P) is the first of the Atmospheric Composition Sentinels by the European Space Agency (ESA) that provides measurements of ozone, NO2, SO2, CH4, CO, formaldehyde, aerosols and cloud at high spatial, temporal and spectral resolutions. The early afternoon orbit of Sentinel-5P mission provides a strong synergy with the U.S. Suomi National Polar-orbiting Partnership (S-NPP) satellite, especially in that the S-NPP Ozone Monitoring and Profiling Suite (OMPS) facilitates high vertically resolved stratospheric and lower mesospheric ozone profiles. The NASA Goddard Earth Sciences Data and Information Services Center (GES DISC) supports over a thousand data collections in the Focus Areas of Atmospheric Composition, Water & Energy Cycles, and Climate Variability and it is the Distributed Active Archive Center (DAAC) that is curating both offline Sentinel-5P TROPOMI and S-NPP OMPS Level-1B (L1B) and Level-2 (L2) products. Through its convenient and enhanced tools/services such as OPeNDAP and L2 Subsetting, GES DISC offers air quality remote sensing user communities facile solutions for complex Earth science data and applications. This presentation will demonstrate TROPOMI and OMPS products including earthview radiance, solar irradiance, and currently available L2 datasets, as well as easy ways to access, visualize and subset data. The implementation of the End User License Agreement (EULA) between NASA GES DISC and all data users accessing data at GES DISC will be emphasized as well.

TROPOMI↗
DOE OSTI2020

Automated detection of part quality during two-photon lithography via deep learning

Two-photon lithography (TPL) is an additive manufacturing technique for fabricating three-dimensional objects with nanoscale features. A main challenge of TPL is the routine and labor-intensive task of finding suitable light dosage parameters, i.e. writing speed and laser intensity that induce photo-polymerization within a wide variety of candidate photo-curing polymers. Another challenge is the monitoring required during fabrication. In this work, we apply machine learning (ML) models to accelerate the process of identifying optimal light dosage parameters and automate the detection of part quality. We curate TPL videos of different parts fabricated under a range of light dosage parameters using different resins and train spatial-temporal ML models on this data. Our results show that ML models can detect TPL part quality with a 95.1% accuracy in milliseconds. We also evaluate classification failures and identify two operating modes: parameter optimization and part quality detection. Last but not least, we publicly release this labelled dataset so that it may serve as a useful benchmark to the community. Our approach to process optimization and part quality detection addresses important aspects of TPL industrialization, is applicable beyond TPL and should benefit other additive manufacturing techniques with similar barriers to operating at industrial scale.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Real-Time Health Monitoring for Gas Turbine Components Using Online Learning and High-Dimensional Data

Capital-intensive turbomachinery, such as gas turbines and combined cycle plants, are constantly being monitored for performance anomalies, faults, and physical degradation. Although these power-generating assets are equipped with hundreds of sensors, existing monitoring tools can only handle moderate-sized data. As a result, only a handful of aggregate metrics are used to monitor machine health. At the same time, developing advanced tools suitable for large datasets have been restricted by the lack of appropriate data. The objective of this proposal was to demonstrate a Big Data analytics framework for fault detection and diagnosis in gas turbine applications. We develop a predictive analytics framework methodology guided by these experimental data, industrial data from our collaborators, and physics-based models with engineering domain knowledge. Our analytics framework consists of four key components (1) a data curation process that addresses data storage, data quality assessments, and integrity checks, (2) a feature engineering component that utilizes statistical methods and transformation algorithms guided by physics-based models to extract high-fidelity fault features that can be leveraged for fault detection and classifying fault severities, (3) a Machine Learning-based fault detection and diagnostics algorithms for detecting operational and hardware faults in the combustion and the turbines section. We utilize two industry-class gas turbine component test rigs to generate first of its kind data for critical gas turbine faults with varying severity levels. Advanced gas turbine test facilities will be interrogated using state-of-the-art instrumentation techniques to build fault signatures and data trends for key combustor and turbine faults. Data generated from a combustor test rig (Georgia Tech) and a turbine test rig (Penn State) during both normal operation and with seeded faults serve as the basis for the Big Data sets. The test conditions in the two test facilities include common, critical events that occur in the operation. Utilizing the combustor test rig, we examine two common combustor faults: lean blowout and centerbody degradation. For the turbine section we develop analytic models for monitoring cooling faults in the gas turbine

03 NATURAL GAS↗
DOE OSTI2021

Real-Time Health Monitoring for Gas Turbine Components Using Online Learning and High-Dimensional Data (Final Report)

Capital-intensive turbomachinery, such as gas turbines and combined cycle plants, are constantly being monitored for performance anomalies, faults, and physical degradation. Although these power-generating assets are equipped with hundreds of sensors, existing monitoring tools can only handle moderate-sized data. As a result, only a handful of aggregate metrics are used to monitor machine health. At the same time, developing advanced tools suitable for large datasets have been restricted by the lack of appropriate data. The objective of this proposal was to demonstrate a Big Data analytics framework for fault detection and diagnosis in gas turbine applications. We develop a predictive analytics framework methodology guided by these experimental data, industrial data from our collaborators, and physics-based models with engineering domain knowledge. Our analytics framework consists of four key components: (1) a data curation process that addresses data storage, data quality assessments, and integrity checks, (2) a feature engineering component that utilizes statistical methods and transformation algorithms guided by physics-based models to extract high-fidelity fault features that can be leveraged for fault detection and classifying fault severities, (3) a Machine Learning-based fault detection and diagnostics algorithms for detecting operational and hardware faults in the combustion and the turbines section. We utilize two industry-class gas turbine component test rigs to generate first of its kind data for critical gas turbine faults with varying severity levels. Advanced gas turbine test facilities will be interrogated using state-of-the-art instrumentation techniques to build fault signatures and data trends for key combustor and turbine faults. Data generated from a combustor test rig (Georgia Tech) and a turbine test rig (Penn State) during both normal operation and with seeded faults serve as the basis for the Big Data sets. The test conditions in the two test facilities include common, critical events that occur in the operation. Utilizing the combustor test rig, we examine two common combustor faults: lean blowout and centerbody degradation. For the turbine section we develop analytic models for monitoring cooling faults in the gas turbine.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2024

Refractiveindex.info database of optical constants

Abstract We introduce the refractiveindex.info database, a comprehensive open-source repository containing optical constants for a wide array of materials, and describe in detail the underlying dataset. This collection, derived from a meticulous compilation of data sourced from peer-reviewed publications, manufacturers’ datasheets, and authoritative texts, aims to advance research in optics and photonics. The data is stored using a YAML-based format, ensuring integrity, consistency, and ease of access. Each record is accompanied by detailed metadata, facilitating a comprehensive understanding and efficient utilization of the data. In this descriptor, we outline the data curation protocols and the file format used for data records, and briefly demonstrate how the data can be organized in a user-friendly fashion akin to the books in a traditional library.

43 PARTICLE ACCELERATORS↗
DOE OSTI2025

Hosting downscaled decision-relevant community data products in ESGF2-US

As regionally-relevant high-resolution Earth system data is increasingly relied upon across scientific, policy, and practitioner communities, there is an urgent need for coordinated and federated infrastructure to store, manage, standardize, and distribute decision-relevant community data products. Substantial effort is required to ensure that these products, which are often critical for regional impact assessments and decision-making, are findable, accessible, interoperable, and reusable. The Earth System Grid Federation US project (ESGF2-US) is addressing this challenge by expanding its open-source, distributed platform to support the hosting and dissemination of downscaled Earth system datasets. This expansion includes aligning new downscaled datasets with developing community standards for metadata and file structure, consistent with existing ESGF archives. This includes ensuring CF-compliance, applying CMORization where appropriate, and developing tools to streamline user access. In this paper, we highlight the technical and coordination work required to bring downscaled data into ESGF2-US and aim to inform the broader Earth system data user community about the growing availability and utility of these curated resources.

ESGF↗
DOE OSTI2026

VirJenDB: a FAIR (meta)data and bioinformatics platform for all viruses

High-throughput sequencing has generated an unprecedented volume of data. However, researcher-submitted data in repositories requires extensive curation and quality control for reuse. These tasks are hindered by the multiplicity of repositories, the sheer volume of the data, and the complexity of virus (meta)data curation. To address these challenges, VirJenDB offers a user-friendly platform to facilitate versioned, community-driven curation, and ontology development. Virus sequences were ingested from 16 sources, including ~200 fields of metadata or standards, covering taxonomy, sample, and host information. Up to 85 metadata fields have undergone at least one round of curation, and are linked to 15.4 million virus sequences, with 88 % from those infecting eukaryotes and the remaining infecting prokaryotes. Subsets were created, including a novel collection of 0.91 million viral operational taxonomic unit (vOTU) sequences across all viruses, while keeping the original sequences from each vOTU to facilitate downstream analyses, e.g. sequence variation. The VirJenDB web portal (https://www.virjendb.org) provides HTTPS and Application Programming Interface (API) access to the sequence datasets and metadata, offering a search engine, filtering, download, visualizations, and documentation. VirJenDB aims to connect the phage and eukaryotic virus research communities by supporting webtool integration, meta-analyses, and metadata schema extensions.

Saghaei, Shahram↗
DOE OSTI2024

BindingDB in 2024: a FAIR knowledgebase of protein-small molecule binding data

Abstract BindingDB (bindingdb.org) is a public, web-accessible database of experimentally measured binding affinities between small molecules and proteins, which supports diverse applications including medicinal chemistry, biochemical pathway annotation, training of artificial intelligence models and computational chemistry methods development. This update reports significant growth and enhancements since our last review in 2016. Of note, the database now contains 2.9 million binding measurements spanning 1.3 million compounds and thousands of protein targets. This growth is largely attributable to our unique focus on curating data from US patents, which has yielded a substantial influx of novel binding data. Recent improvements include a remake of the website following responsive web design principles, enhanced search and filtering capabilities, new data download options and webservices and establishment of a long-term data archive replicated across dispersed sites. We also discuss BindingDB’s positioning relative to related resources, its open data sharing policies, insights gleaned from the dataset and plans for future growth and development.

Liu, Tiqing↗
DOE OSTI2025

Gaia: An AI-enabled genomic context–aware platform for protein sequence annotation

Protein sequence similarity search is fundamental to biology research, but current methods are typically not able to consider crucial genomic context information indicative of protein function, especially in microbial systems. Here, we present Gaia (Genomic AI Annotator), a sequence annotation platform that enables rapid, context-aware protein sequence search across genomic datasets. Gaia leverages gLM2, a mixed-modality genomic language model trained on both amino acid sequences and their genomic neighborhoods to generate embeddings that integrate sequence-structure-context information. This approach allows for the identification of functionally and/or evolutionarily related genes that are found in conserved genomic contexts, which may be missed by traditional sequence- or structure-based search alone. Gaia enables real-time search of a curated database comprising more than 85 million protein clusters from 131,744 microbial genomes. We compare the homolog retrieval performance of Gaia search against other embedding and alignment-based approaches. We provide Gaia as a web-based, freely available tool.

Jha, Nishant↗
DOE OSTI2020

An automatically curated first-principles database of ferroelectrics

Ferroelectric materials have technological applications in information storage and electronic devices. The ferroelectric polar phase can be controlled with external fields, chemical substitution and size-effects in bulk and ultrathin film form, providing a platform for future technologies and for exploratory research. In this work, we integrate spin-polarized density functional theory (DFT) calculations, crystal structure databases, symmetry tools, workflow software, and a custom analysis toolkit to build a library of known, previously-proposed, and newly-proposed ferroelectric materials. With our automated workflow, we screen over 67,000 candidate materials from the Materials Project database to generate a dataset of 255 ferroelectric candidates, and propose 126 new ferroelectric materials. We benchmark our results against experimental data and previous first-principles results. The data provided includes atomic structures, output files, and DFT values of band gaps, energies, and the spontaneous polarization for each ferroelectric candidate. Finally, we contribute our workflow and analysis code to the open-source python packages atomate and pymatgen so others can conduct analogous symmetry driven searches for ferroelectrics and related phenomena.

36 MATERIALS SCIENCE↗