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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Gulf of Mexico Risk Analysis Database (GoMRAD)

The Gulf of Mexico Risk Analysis Database is comprehensive Esri geodatabase of vector layers, raster layers, and tables curated for risk analysis within the offshore Gulf of Mexico. Datasets include bathymetry, seafloor characteristics (channels, anomalies, faults, etc.), MetOcean data (wind speed, wave height, etc.), ocean current data, sediment data, and machine learning training regions used in NETL's Ocean & Geohazard Analysis (OGA) tool. This database serves as a compliment to the OGA tool by providing many of the datasets used in the design of the OGA tool, including regions used for machine learning. This database also serves as a valuable resource for risk analysis studies within the offshore Gulf of Mexico. This work was completed under the Advanced Offshore Research Portfolio, FWP Number: 1022476.

BOEM,Bathymetry,Gulf Of Mexico,Machine Learning,Me↗
DOE OSTI2024

Subsurface Energy Systems Mapping Inquiry Tool (MapIT)

The Subsurface Energy Systems Mapping Inquiry Tool (MapIT) is an online web mapping tool designed to help users discover available public-sourced data to facilitate data exploration for subsurface energy exploration and characterization efforts for resource identification (e.g. critical minerals, hydrocarbons, geothermal) as well as injection of geologic sequestration of carbon dioxide (e.g. enhanced oil recovery, saline storage, etc.). Modules within the tool curate data related to geology, faults, fractures, injection and confining zones, hydrologic information, groundwater, groundwater wells, geomechanical and petrophysical data, and geochemical data. User documentation on how to use the tool is also provided. Data have been collected from authoritative national, state, and local sources and made available in this tool. The data is also available as a data catalog and Esri Geodatabase at: https://edx.netl.doe.gov/dataset/mapit-database Disclaimer: There is no guarantee of completeness or appropriateness for individual user’s requirements. Use of this tool is solely at the discretion of the user. See full Federal Disclaimer for further information (https://netl.doe.gov/home/disclaimer). This project was funded by the United States Department of Energy, National Energy Technology Laboratory, in part, through a site support contract. Neither the United States Government nor any agency thereof, nor any of their employees, nor the support contractor, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. https://www.netl.doe.gov/home/disclaimer

Carbon Sequestration↗
DOE OSTI2025

Electricity Baseline 2022

The Electricity Baseline (2022) is a regionalized life cycle inventory model of U.S. electricity generation, consumption, and distribution using standardized facility and generation data and was created using the ElectricityLCI v2 Python package (https://github.com/USEPA/ElectricityLCI/tree/v2.0). The Python package used the "ELCI_2022" model configuration to set the facility and generation data sources and years that were used to create this life cycle inventory, which were taken from publicly accessible datasets and automatically curated into a local data store. An archive of the data stores used in this model is available online: https://doi.org/10.18141/2569193. This model is presented in GreenDelta's openLCA schema v2 JSON-LD format (https://greendelta.github.io/olca-schema/).

Electricity; LCA; data inventory↗
DOE OSTI2025

Electricity Baseline 2021

The Electricity Baseline (2021) is a regionalized life cycle inventory model of U.S. electricity generation, consumption, and distribution using standardized facility and generation data and was created using the ElectricityLCI v2 Python package (https://github.com/USEPA/ElectricityLCI/tree/v2.0). The Python package used the "ELCI_2021" model configuration to set the facility and generation data sources and years that were used to create this life cycle inventory, which were taken from publicly accessible datasets and automatically curated into a local data store. An archive of the data stores used in this model is available online: https://doi.org/10.18141/2569576. This model is presented in GreenDelta's openLCA schema v2 JSON-LD format (https://greendelta.github.io/olca-schema/).

Electricity; LCA; LCI; Life Cycle↗
DOE OSTI2025

Electricity Baseline 2020

The Electricity Baseline (2020) is a regionalized life cycle inventory model of U.S. electricity generation, consumption, and distribution using standardized facility and generation data and was created using the ElectricityLCI v2 Python package (https://github.com/USEPA/ElectricityLCI/tree/v2.0). The Python package used the "ELCI_2020" model configuration to set the facility and generation data sources and years that were used to create this life cycle inventory, which were taken from publicly accessible datasets and automatically curated into a local data store. An archive of the data stores used in this model is available online: https://doi.org/10.18141/2569605. This model is presented in GreenDelta's openLCA schema v2 JSON-LD format (https://greendelta.github.io/olca-schema/).

Electricity; LCA; LCI; data inventory↗
DOE OSTI2023

Monte Carlo Thought Search: Large Language Model Querying for Complex Scientific Reasoning in Catalyst Design

Discovering novel catalysts requires complex reasoning involving multiple chemical properties and resultant trade-offs, leading to a combinatorial growth in the search space. While large language models (LLM) have demonstrated novel capabilities for chemistry through complex instruction following capabilities and high quality reasoning, a goal-driven combinatorial search using LLMs has not been explored in detail. In this work, we present a Monte Carlo Tree Search-based approach that improves beyond state-of-the-art chain-of-thought prompting variants to augment scientific reasoning. We introduce two new reasoning datasets: 1) a curation of computational chemistry simulations, and 2) diverse questions written by catalysis researchers for reasoning about novel chemical conversion processes. We improve over the best baseline by 25.8\% and find that our approach can augment scientist's reasoning and discovery process with novel insights.\footnote{All resources will be publicly available upon publication.

Sprueill, Henry W.↗
DOE OSTI2024

pymatgen-analysis-defects: A Python package for analyzing point defects in crystalline materials

Point defects can often determine the properties of semiconductor and optoelectronic materials. Due to the large simulation cell and the higher-cost density functionals required for defect simulations, the computational cost of defect calculations is often orders of magnitude higher than that of bulk calculations. As such, managing and curating the results of the defect calculations generated by a single user has the potential to save a significant amount of computational resources. Moreover, eventually building a high-quality, persistent defects database will significantly reduce the computational cost of defect calculations for the entire community.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

DeepBench: A simulation package for physical benchmarking data

We introduce **DeepBench**, a python library that generates simple simulated image data from first principles, such as basic geometric shapes and astronomical objects. These data are highly valuable for developing (calibration, testing, and benchmarking) statistical and machine learning models because they make it possible to connect the final data product to physically interpretable inputs. This software includes tools to curate and store the datasets to maximize reproducibility.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Nuclear Physics Exascale Requirements Review: An Office of Science Review sponsored jointly by Advanced Scientific Computing Research and Nuclear Physics, June 15 - 17, 2016, Gaithersburg, Maryland

Imagine being able to predict — with unprecedented accuracy and precision — the structure of the proton and neutron, and the forces between them, directly from the dynamics of quarks and gluons, and then using this information in calculations of the structure and reactions of atomic nuclei and of the properties of dense neutron stars (NSs). Also imagine discovering new and exotic states of matter, and new laws of nature, by being able to collect more experimental data than we dream possible today, analyzing it in real time to feed back into an experiment, and curating the data with full tracking capabilities and with fully distributed data mining capabilities. Making this vision a reality would improve basic scientific understanding, enabling us to precisely calculate, for example, the spectrum of gravity waves emitted during NS coalescence, and would have important societal applications in nuclear energy research, stockpile stewardship, and other areas. This review presents the components and characteristics of the exascale computing ecosystems necessary to realize this vision.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Open Source Scalable Data Services and Data Fusion for Biological and Environmental Sciences (SBIR Phase I Final Scientific/ Technical Report)

The overarching goal of the project is to develop an integrated open-source scientific data management system (Apache V2 license), ResonantEco, that meets the need of biological and environmental researchers and developers for data management, curation, and data processing for analyses with a wide range of scale and complexity. ResonantEco will provide web enabled data services with features such as unified data interfaces and federated views of data and metadata for heterogeneous data sources with an interactive web client for data exploration. Our use of the term fusion is taken from geospatial (GIS) domain where data fusion is often synonymous with data integration. In particular, data integration in ResonantEco involves combining data residing in different sources and providing users with a unified view of them.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2020

ECP Software Technology Capability Assessment Report

The Exascale Computing Project Software Technology (ECP ST) focus area represents the key bridge between Exascale systems and the scientists developing applications that will run on those platforms. ECP offers a unique opportunity to build a coherent set of software (often referred to as the "software stack") that will allow application developers to maximize their ability to write highly parallel applications, targeting multiple Exascale architectures with runtime environments that will provide high performance and resilience. But applications are only useful if they can provide scientific insight, and the unprecedented data produced by these applications require a complete analysis work ow that includes new technology to scalably collect, reduce, organize, curate, and analyze the data into actionable decisions. This requires approaching scientific computing in a holistic manner, encompassing the entire user workflow - from conception of a problem, setting up the problem with validated inputs, performing high-fidelity simulations, to the application of uncertainty quantification to the final analysis. The software stack plan defined here aims to address all of these needs by extending current technologies to Exascale where possible, by performing the research required to conceive of new approaches necessary to address unique problems where current approaches will not suffice, and by deploying high-quality and robust software products on the platforms developed in the Exascale systems project. The ECP ST portfolio has established a set of interdependent projects that will allow for the research, development, and delivery of a comprehensive software stack,

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

The Trillion Pixel GeoAI Challenge Workshop

Rapid innovations in satellite and airborne remote sensing capabilities holds the promise of collecting high-resolution imagery with daily, even hourly cadence across the entire planet. Availability of such earth observation data streams at varying spatial and temporal scales, coupled with astonishing progress in AI and transformational advances in high performance computing bring into view the possibility of mapping and interpreting the surface of our planet at unprecedented detail. The implications of such capability for science, technology, policy, and security are far reaching. Moreover, even at a modest 5m resolution, 100 trillion pixels will describe the surface of the Earth every day. Consequently, monitoring the pulse of our planet will entail collecting, refining, analyzing, and curating those 100 trillion pixels within a 24-hour period. That is a challenge with unknown solutions as of today’s advances and therefore serves as a key motivation for this workshop. The GEOINT and AI communities have a unique opportunity to enable detailed monitoring the pulse of our planet and obtain new insights into how humans occupy, interact with, and alter the surface of the Earth over time. From a science and technology standpoint, this is a modern-day moonshot that presents numerous challenges particularly related to scaling the analysis to every pixel covering the planet. The challenge of making sense of all these pixels in a timely fashion include image processing at scale, selective analysis of only the pixels that matter, generalizing AI models across heterogeneous locations, computing on hardware that is memory constrained, and deploying automated feature extraction on edge devices. The designing of capable GeoAI workflows and data pipelines will require interdisciplinary efforts and partnerships. The Trillion Pixel Challenge for GeoAI workshop was is promoted as a first community effort to discuss priority research and development directions and to establish the partnerships and collaborations needed to make progress on critical scientific and operational applications from local to regional to planet scale.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

ElectroCat (Electrocatalysis Consortium) [Slides]

ElectroCat was created as part of the USDOE Energy Materials Network in February 2016. The mission of the collaboration is to develop and implement PGM-free catalysts and electrodes by streamlining access to unique synthesis and characterization tools across national labs, developing missing strategic capabilities, and curating a public database of information. This presentation provides an overview of their work.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

CENC PSN VOID FY20 Report

Maritime trade accounts for approximately 80 percent of international commerce. The high volume of vessels traversing domestic and international ports makes port areas prime targets for terrorism as well as illegal trafficking of drugs and arms (conventional or nuclear). Port security is therefore a worldwide concern affecting global economies, freedom of movement, and national security. However, extensive port monitoring is inherently complex and time consuming — making it truly viable only via an automated framework that can detect potential illicit activity and alert authorities in a timely manner. The development of image processing algorithms for this purpose requires access to large, labeled datasets that cover the breadth of targets of interest as well as the environments that they are observed within. Curated and labeled datasets of this nature are of enormous value to Sandia's Defense Nuclear Nonproliferation and National Security Program portfolios, as well as to Sandia's machine learning/automatic target recognition (ML/ATR) algorithm development and R&D communities. The goal of this project is to create a commercial satellite imagery dataset of labeled maritime vessels in port areas to support the development of ML/ATR algorithms for port security nonproliferation purposes. This dataset — Port Security Nonproliferation Vessel Overhead Imagery Dataset (PSN VOID) — has the potential to support a variety of other ancillary missions, such as maritime domain awareness, domestic and international security, drug interdiction, and weapons trafficking.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2020

Macro-physical Properties of Shallow Cumulus from Integrated ARM Observations (Final Report)

Fair-weather shallow cumuli (ShCu) play an important role in many climate-related processes. Irregular geometry of ShCu and their strong temporal and spatial variability make it challenging to observe ShCu holistically and to represent them correctly in climate models. To improve ShCu parameterizations, information on both vertically and horizontally resolved cloud properties is required. Commonly, the vertically resolved cloud properties are provided by zenith pointing lidar-radar observations with a very narrow field of view (FOV). Thus, these “pencil-beam” properties may not be representative of a larger surrounding area. Limited number of areal-averaged cloud properties, such as fractional sky cover (FSC), are offered typically by wide-FOV observations. The main goal of our project was to integrate advantages of the narrow-FOV (vertical structure of clouds) and wide-FOV (spatial arrangement of clouds) observations for an improved characterization of single-layer ShCu observed at the Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) site for an 18-yr period (2000-2017). There are four major accomplishments of our project, First, an updated operational cloud classification for days with ShCu has been suggested and evaluated through a detailed comparison with the manually curated records. Our classification extends successfully the latest ARM cloud type Value Added Product (VAP) based on the Active Remote Sensing of Clouds (ARSCL) cloud product by incorporating both cloud fraction (CF) provided by narrow-FOV ceilometer data and FSC from wide-FOV images offered by a Total Sky Imager (TSI). Moreover, our classification allows one to identify impact of instrumentation changes at the SGP site, namely the transition to KAZRARSCL with the updated cloud radar, on the identification of periods with single-layer ShCu. Second, a new approach that resolves cloud area distributions for a given region (up to 4x4 km 2 ) has been suggested and cloud equivalent diameters (CEDs) have been estimated for the first time. These estimations have been performed over a wide range of cloud sizes (about 0.01–3.5 km) with high temporal resolution (30s) using wide-FOV TSI images and cloud base height (CBH) provided by complementary narrow-FOV lidar measurements. Our simple and computationally inexpensive approach offers a previously unavailable dataset for process studies in the convective boundary layer and evaluation of ShCu parameterizations in cloud-resolving models. Third, a long-term integrated record of ShCu macrophysical properties has been developed. The developed record represents the longest available compilation of events with ShCu and includes (i) a novel visualization of the spatial variability in cloud cover both along- and across-wind directions, (ii) updated estimates of narrow-FOV CF and wide-FOV FSC, (iii) updated narrow-FOV CBH, and (iv) complementary data, such as wind speed and direction from the 915-MHz Radar Wind Profiler (RWP) data. The developed record has been used successfully to assess conventional observational estimates of cloud cover and their sensitivity to the following two factors: (i) instrument-dependent cloud detection and data merging criteria and (ii) FOV configuration. Fourth, co-variability of the ShCu macrophysical properties and environmental parameters has been analyzed for a 3-yr period (2016-2018). Our initial analysis includes diurnal changes of FSCs obtained for clouds with small, moderate and large CEDs and several environmental parameters, such as lifted condensation level (LCL) and mixed layer height (zi). Preliminary results of our analysis suggest that the horizontal extent of ShCu is controlled substantially by the sign and magnitude of difference between these two parameters (zi-LCL): the CED tends to grow with increase of this difference (zi exceeds LCL). We have initiated relationships between the ShCu and key atmospheric parameters that control both the development and evolution of ShCu using our new data product, which combines effectively the advantages of narrow-FOV data offered by zenith pointing cloud radars and lidars and wide-FOV TSI images. While the latest instrumentation at the ARM sites may address these challenging relationships in the future, we believe that the historical ARM data at the SGP site has not yet been fully utilized. Overall, our data product can be used by researchers working on a wide range of climate-related projects. These projects may include (i) a comprehensive evaluation of outputs from the Large-Eddy Simulation (LES) and single-column models for their future improvement, (ii) the representativeness of “short-period” results obtained from the previous model and observational studies and (iii) the planning of future field campaigns with focus on improved understanding of the diurnal cycle of cumulus convection.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Data Repository for Power system Open models With Evolving Resources (DR POWER) (Final Scientific/Technical Report)

Pacific Northwest National Laboratory (PNNL) and the National Rural Electric Cooperative Association (NRECA) created a Data Repository for Power system Open models With Evolving Resources (DR POWER) to establish, curate, and evolve open-access power grid models and scenarios, and measurements and observations, collectively referred to as datasets. Existing open-access datasets are inadequate (too small and not representative of the complexity of the modern grid, and scattered all over the world wide web) for the investigation and benchmarking of the advanced optimization methods needed for next-generation grids. Open-access datasets are static and inadequate in other aspects: they do not provide format transformation tools; there is missing information needed for advanced applications; hard to cite; no model evolution history; difficult to update current collections; and little to no community involvement and feedback. Overall, the current landscape is hindering model evolution and benchmarking standards needed for transformational approaches to be developed, tested, and accepted by the power modeling community.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Science Validation for Dark Energy Research with Optical Imaging Surveys

The Universe has been expanding at an accelerating rate over the past several billion years, as though an unknown form of dark energy permeates all of space. The ultimate scientific goal of the proposed research is to distinguish between different physical mechanisms that could account for this observed accelerated expansion, for example, the zero-point energy of the vacuum, a dynamical form of energy that varies in time and/or space, or a modification to our theory of gravity. Wide- field optical imaging surveys of the night sky can test these competing models by measuring both the cosmic expansion history and the growth of large-scale structure. To this end, the Dark Energy Survey (DES) has cataloged several hundred million galaxies and thousands of supernovae. The Vera C. Rubin Observatory Legacy Survey of Space and Time (LSST), will enlarge the census to billions of galaxies and hundreds of thousands of supernovae. A critical question for these dark energy experiments is whether systematic uncertainties can continue to be controlled at a level to keep pace with the statistical precision offered by such enormous datasets. The immediate research objectives of this project were (1) to prepare and validate input datasets that are the foundation of cosmological analyses with DES, and (2) to prepare for value-added characterization of Rubin Observatory commissioning data to inform early operations and accelerate the realization of dark energy science from LSST data products. For DES, we assembled and curated cosmology-ready data releases that include value-added components such as enhanced photometric and astrometric calibrations, alternative source extraction algorithms, maps of the survey coverage and survey conditions, object classifications, object quality selections, galaxy shapes, and photometric redshifts. We used the galaxy clustering technique to validate the photometric redshift distributions of various galaxy samples to be used as lenses in combined studies of galaxy clustering and weak gravitational lensing. The galaxy clustering redshift analysis was enhanced by use of a larger sample of reference galaxies from the eBOSS spectroscopic survey that extends to higher redshifts. For LSST, we prepared for science validation studies of commissioning data aimed at dark energy science capability that extend beyond the normative system-level tests to be done by the Rubin Observatory Construction Project. We identified a set of proposed survey strategies and candidate target fields that could be observed during the commissioning period to enhance science validation activities related to studies of dark energy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Evaluation of the PhaseNet Model Applied to the IMS Seismic Network

Producing a complete and accurate set of signal detections is essential for automatically building and characterizing seismic events of interest for nuclear explosion monitoring. Signal detection algorithms have been an area of research for decades, but still produce large quantities of false detections and misidentify real signals that must be detected to produce a complete global catalog of events of interest. Deep learning methods have shown promising capabilities in effectively characterizing seismic signals for complex tasks such as identifying phase arrival times. We use the PhaseNet model, a UNet-based Neural Network, trained on local distance data from northern California to predict seismic arrivals on data from the International Monitoring System (IMS) global network. We use an analyst-curated bulletin generated from this data set to compare the performance of PhaseNet to that of the Short-Term Average/Long-Term Average (STA/LTA) algorithm. We find that PhaseNet has the potential of outperforming traditional processing methods and recommend the training of a new model with the IMS data to achieve optimal performance.

58 GEOSCIENCES↗