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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Bibliometric review and recent advances in total scattering pair distribution function analysis: 21 years in retrospect

Global research activities have been driven by the quest to develop and characterize novel materials for technological advancements. The total scattering pair distribution function (TSPDF) is a powerful and versatile characterization technique for examining the structural details of diverse complex materials including liquid, amorphous, disordered crystalline, and nanostructured materials. Thus, it is critical to keep track of research progress, identify research gaps, and future research directions of the application of the TSPDF technique in materials development and discovery. In this work, a bibliometric analysis of literature regarding the TSPDF technique between 2000 and 2021 was conducted using datasets retrieved from the Web of Science database. The research trends based on publication outputs, research subject distribution, co-authorships among institutions, countries/regions, co-citation of referenced sources, and keyword co-occurrence are evaluated and discussed herein. The impact of the TSPDF technique is projected to increase due to its importance in probing emerging functional materials, and the advances in specialized facilities and instrumentation among the scientific communities engaged with it. Finally, current and emerging research hotspots related to TSPDF technique such as catalysis, computer modeling and simulation, pharmaceutics, machine learning, hydrogen storage, battery materials, and layered structured materials are also identified and discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2025

MaTableGPT: GPT‐Based Table Data Extractor from Materials Science Literature

Abstract Efficiently extracting data from tables in the scientific literature is pivotal for building large‐scale databases. However, the tables reported in materials science papers exist in highly diverse forms; thus, rule‐based extractions are an ineffective approach. To overcome this challenge, the study presents MaTableGPT, which is a GPT‐based table data extractor from the materials science literature. MaTableGPT features key strategies of table data representation and table splitting for better GPT comprehension and filtering hallucinated information through follow‐up questions. When applied to a vast volume of water splitting catalysis literature, MaTableGPT achieves an extraction accuracy (total F1 score) of up to 96.8%. Through comprehensive evaluations of the GPT usage cost, labeling cost, and extraction accuracy for the learning methods of zero‐shot, few‐shot, and fine‐tuning, the study presents a Pareto‐front mapping where the few‐shot learning method is found to be the most balanced solution owing to both its high extraction accuracy (total F1 score >95%) and low cost (GPT usage cost of 5.97 US dollars and labeling cost of 10 I/O paired examples). The statistical analyses conducted on the database generated by MaTableGPT revealed valuable insights into the distribution of the overpotential and elemental utilization across the reported catalysts in the water splitting literature.

Yi, Gyeong Hoon [Computational Science Research Ce↗
DOE OSTI2024

Second-harmonic generation tensors from high-throughput density-functional perturbation theory

Optical materials play a key role in enabling modern optoelectronic technologies in a wide variety of domains such as the medical or the energy sector. Among them, nonlinear optical crystals are of primary importance to achieve a broader range of electromagnetic waves in the devices. However, numerous and contradicting requirements significantly limit the discovery of new potential candidates, which, in turn, hinders the technological development. In the present work, the static nonlinear susceptibility and dielectric tensor are computed via density-functional perturbation theory for a set of 579 inorganic semiconductors. The computational methodology is discussed and the provided database is described with respect to both its data distribution and its format. Several comparisons with both experimental and ab initio results from literature allow to confirm the reliability of our data. The aim of this work is to provide a relevant dataset to foster the identification of promising nonlinear optical crystals in order to motivate their subsequent experimental investigation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Lower viral evolutionary pressure under stable versus fluctuating conditions in subzero Arctic brines

Climate change threatens Earth’s ice-based ecosystems which currently offer archives and eco-evolutionary experiments in the extreme. Arctic cryopeg brine (marine-derived, within permafrost) and sea ice brine, similar in subzero temperature and high salinity but different in temporal stability, are inhabited by microbes adapted to these extreme conditions. However, little is known about their viruses (community composition, diversity, interaction with hosts, or evolution) or how they might respond to geologically stable cryopeg versus fluctuating sea ice conditions. We used long- and short-read viromics and metatranscriptomics to study viruses in Arctic cryopeg brine, sea ice brine, and underlying seawater, recovering 11,088 vOTUs (~species-level taxonomic unit), a 4.4-fold increase of known viruses in these brines. More specifically, the long-read-powered viromes doubled the number of longer (≥25 kb) vOTUs generated and recovered more hypervariable regions by >5-fold compared to short-read viromes. Distribution assessment, by comparing to known viruses in public databases, supported that cryopeg brine viruses were of marine origin yet distinct from either sea ice brine or seawater viruses, while 94% of sea ice brine viruses were also present in seawater. A virus-encoded, ecologically important exopolysaccharide biosynthesis gene was identified, and many viruses (~half of metatranscriptome-inferred “active” vOTUs) were predicted as actively infecting the dominant microbial genera Marinobacter and Polaribacter in cryopeg and sea ice brines, respectively. Evolutionarily, microdiversity (intra-species genetic variations) analyses suggested that viruses within the stable cryopeg brine were under significantly lower evolutionary pressures than those in the fluctuating sea ice environment, while many sea ice brine virus-tail genes were under positive selection, indicating virus-host co-evolutionary arms races. Our results confirmed the benefits of long-read-powered viromics in understanding the environmental virosphere through significantly improved genomic recovery, expanding viral discovery and the potential for biological inference. Evidence of viruses actively infecting the dominant microbes in subzero brines and modulating host metabolism underscored the potential impact of viruses on these remote and underexplored extreme ecosystems. Microdiversity results shed light on different strategies viruses use to evolve and adapt when extreme conditions are stable versus fluctuating. Together, these findings verify the value of long-read-powered viromics and provide foundational data on viral evolution and virus-microbe interactions in Earth’s destabilized and rapidly disappearing cryosphere.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1988

Cool circumstellar matter around nearby main-sequence stars

Stars are presented which have characteristics similar to Vega and other main-sequence stars with cool dust disks, based on the IRAS Point Source Catalog fluxes. The objects are selected to have a 60-micron/100-micron ratio similar to Vega, Beta Pic, Alpha PsA, and Epsilon Eri, and they are also required to show evidence of extension in the IRAS Working Survey Database. The fluxes are modeled using a blackbody energy distribution. The temperatures derived range from 50 to 650 K. The diameters of the dust disks observed by IRAS are estimated.

Walker, H. J.↗
NASA NTRS1993

The Advanced Technology Operations System: ATOS

Mission control systems supporting new space missions face ever-increasing requirements in terms of functionality, performance, reliability and efficiency. Modern data processing technology is providing the means to meet these requirements in new systems under development. During the past few years the European Space Operations Centre (ESOC) of the European Space Agency (ESA) has carried out a number of projects to demonstrate the feasibility of using advanced software technology, in particular, knowledge based systems, to support mission operations. A number of advances must be achieved before these techniques can be moved towards operational use in future missions, namely, integration of the applications into a single system framework and generalization of the applications so that they are mission independent. In order to achieve this goal, ESA initiated the Advanced Technology Operations System (ATOS) program, which will develop the infrastructure to support advanced software technology in mission operations, and provide applications modules to initially support: Mission Preparation, Mission Planning, Computer Assisted Operations, and Advanced Training. The first phase of the ATOS program is tasked with the goal of designing and prototyping the necessary system infrastructure to support the rest of the program. The major components of the ATOS architecture is presented. This architecture relies on the concept of a Mission Information Base (MIB) as the repository for all information and knowledge which will be used by the advanced application modules in future mission control systems. The MIB is being designed to exploit the latest in database and knowledge representation technology in an open and distributed system. In conclusion the technological and implementation challenges expected to be encountered, as well as the future plans and time scale of the project, are presented.

Kaufeler, J.-F.↗
NASA NTRS2010

Use of Business Intelligence Tools in the DSN

JPL has operated the Deep Space Network (DSN) on behalf of NASA since the 1960's. Over the last two decades, the DSN budget has generally declined in real-year dollars while the aging assets required more attention, and the missions became more complex. As a result, the DSN budget has been increasingly consumed by Operations and Maintenance (O&M), significantly reducing the funding wedge available for technology investment and for enhancing the DSN capability and capacity. Responding to this budget squeeze, the DSN launched an effort to improve the cost-efficiency of the O&M. In this paper we: elaborate on the methodology adopted to understand "where the time and money are used"-surprisingly, most of the data required for metrics development was readily available in existing databases-we have used commercial Business Intelligence (BI) tools to mine the databases and automatically extract the metrics (including trends) and distribute them weekly to interested parties; describe the DSN-specific effort to convert the intuitive understanding of "where the time is spent" into meaningful and actionable metrics that quantify use of resources, highlight candidate areas of improvement, and establish trends; and discuss the use of the BI-derived metrics-one of the most fascinating processes was the dramatic improvement in some areas of operations when the metrics were shared with the operators-the visibility of the metrics, and a self-induced competition, caused almost immediate improvement in some areas. While the near-term use of the metrics is to quantify the processes and track the improvement, these techniques will be just as useful in monitoring the process, e.g. as an input to a lean-six-sigma process.

Metrics↗
DOE OSTI2022

Machine Learning-based Prediction of Departure from Nucleate Boiling Power for the PSBT Benchmark

Machine Learning (ML) has seen an exponential growth in its applications due to its advanced data driven prediction capabilities. The study presents a data-driven approach as a preliminary attempt to predict the power at which departure from nucleate boiling (DNB) occurs in pressurized water reactors (PWRs) by constructing an advanced ML algorithm that takes outlet pressure, inlet temperature and inlet mass flux as the input features. DNB is a critical heat flux (CHF) phenomenon seen in PWRs. The experimental data from the PWR subchannel and bundle tests (PSBT) benchmark is first used to train an artificial neural network (ANN) to predict the DNB power, which produces a root mean square error (RMSE) of 6.89 kW/m when tested on a blind subset of the PSBT data. Since the PSBT dataset is relatively small to train an accurate ANN, a data augmentation methodology based on generative adversarial networks (GANs) is used to expand the training dataset. By assuming that the real data follows a certain distribution, GANs try to learn that underlying distribution to generate similar synthetic data to augment the database and to improve the predictive capabilities of the ANN. The data generated from GANs are validated using 1-nearest neighbor and kernel maximum mean discrepancy. To further ensure data from GAN is similar to PSBT, the data is tested and filtered out using the sub-channel thermal-hydraulic code CTF. The results indicate that with the addition of 120 data points from GAN the RMSE reduces to 4.84 kW/m showing promising results for future developments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

HTGR Validation: NEUP Survey and Database Database Development for HTGR Thermal-Fluid Experiments

This set of slides is aimed to improve access to the High-Temperature Gas-cooled Reactor (HTGR) validation data and optimize the return on the significant investment made by DOE. Supported by the Advanced Reactor Technologies (ART) Gas-Cooled Reactor (GCR) program. Slides include information from FY2009 to FY2023, there are in total 35 DOE NEUP projects focusing on the thermal-fluid experiments related with High-Temperature Gas-cooled Reactor (HTGR), producing a large amount of high-quality validation data. NEUP Survey and Database Development for HTGR Thermal-Fluid Experiments is distributed at universities and has not been disseminated to the HTGR community. More collaborating with university PIs and refining the HTGR phenomena summary chart continuously is expected in the future.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

On the Morphodynamics of a Wide Class of Large‐Scale Meandering Rivers: Insights Gained by Coupling LES With Sediment‐Dynamics

Abstract In meandering rivers, interactions between flow, sediment transport, and bed topography affect diverse processes, including bedform development and channel migration. Predicting how these interactions affect the spatial patterns and magnitudes of bed deformation in meandering rivers is essential for various river engineering and geoscience problems. Computational fluid dynamics simulations can predict river morphodynamics at fine temporal and spatial scales but have traditionally been challenged by the large scale of natural rivers. We conducted coupled large‐eddy simulation and bed morphodynamics simulations to create a unique database of hydro‐morphodynamic data sets for 42 meandering rivers with a variety of planform shapes and large‐scale geometrical features that mimic natural meanders. For each simulated river, the database includes (a) bed morphology, (b) three‐dimensional mean velocity field, and (c) bed shear stress distribution under bankfull flow conditions. The calculated morphodynamics results at dynamic equilibrium revealed the formation of scour and deposition patterns near the outer and inner banks, respectively, while the location of point bars and scour regions around the apexes of the meander bends is found to vary as a function of the radius of curvature of the bends to the width ratio. A new mechanism is proposed that explains this seemingly paradoxical finding. The high‐fidelity simulation results generated in this work provide researchers and scientists with a rich numerical database for morphodynamics and bed shear stress distributions in large‐scale meandering rivers to enable systematic investigation of the underlying phenomena and support a range of river engineering applications.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRSDate not supplied

The Tables of Aerosol Optics (TAO) Project

The Table of Aerosol Optics (TAO) project is a community repository of optics computations (extinction, absorption, single-scatter albedo, lidar ratio, etc) that are useful for global models and remote sensing applications. TAO expands upon historical efforts (e.g., Hess et al., 1998) by building an open database that uses recent measurements and new computational techniques for non-spherical particles. The ‘open’ aspect of TAO is important, since the size distributions, hygroscopicities, refractive indices, and morphological recommendations of today will undoubtedly yield to different values in the future; the open framework of TAO allows scientists to keep adding new computations to the database as the science evolves. TAO is meant to be a community repository where specialists can put their computations for other scientists to use. So for instance, some groups are advancing new techniques that can accommodate complex fractal aggregates of black carbon, other groups are working on realistic irregular shapes for mineral dust, and different groups are updating the hygroscopicity of various aerosol types using new techniques. The TAO database gives these scientists a place to distribute their products. As TAO grows, modelers and remote sensing specialists will look to TAO as a place to find a wide variety of choices for testing. Meanwhile, global modelers can also use TAO to lobby for new tables that accommodate their needs. Eventually, TAO will provide mass extinction coefficients, mass absorption coefficients, lidar ratios, etc., at popular remote sensing and global modeling wavelengths (0.25-40 µm) for all pertinent species (sulfate, sea salt, BC, OC, BrC, dust, etc.). TAO will also accept computations for aerosol ‘type’ (e.g., biomass burning, urban, background, etc.) that may include regional and seasonal variability. Multiple tables may be created for each species or type to account for the multiple valid size distributions, hygroscopicities, complex refractive indices, and shapes that can be found in the literature.

Greg Schuster↗
NASA NTRSDate not supplied

The Tables of Aerosol Optics (TAO) Project

The Table of Aerosol Optics (TAO) project is a community repository of optics computations (extinction, absorption, single-scatter albedo, lidar ratio, etc) that are useful for global models and remote sensing applications. TAO expands upon historical efforts (e.g., Hess et al., 1998) by building an open database that uses recent measurements and new computational techniques for non-spherical particles. The ‘open’ aspect of TAO is important, since the size distributions, hygroscopicities, refractive indices, and morphological recommendations of today will undoubtedly yield to different values in the future; the open framework of TAO allows scientists to keep adding new computations to the database as the science evolves. TAO is meant to be a community repository where specialists can put their computations for other scientists to use. So for instance, some groups are advancing new techniques that can accommodate complex fractal aggregates of black carbon, other groups are working on realistic irregular shapes for mineral dust, and different groups are updating the hygroscopicity of various aerosol types using new techniques. The TAO database gives these scientists a place to distribute their products. As TAO grows, modelers and remote sensing specialists will look to TAO as a place to find a wide variety of choices for testing. Meanwhile, global modelers can also use TAO to lobby for new tables that accommodate their needs. Eventually, TAO will provide mass extinction coefficients, mass absorption coefficients, lidar ratios, etc., at popular remote sensing and global modeling wavelengths (0.25-40 µm) for all pertinent species (sulfate, sea salt, BC, OC, BrC, dust, etc.). TAO will also accept computations for aerosol ‘type’ (e.g., biomass burning, urban, background, etc.) that may include regional and seasonal variability. Multiple tables may be created for each species or type to account for the multiple valid size distributions, hygroscopicities, complex refractive indices, and shapes that can be found in the literature.

Elisabeth Andrews↗
NASA NTRSDate not supplied

The Tables of Aerosol Optics (TAO) Project

The Table of Aerosol Optics (TAO) project is a community repository of optics computations (extinction, absorption, single-scatter albedo, lidar ratio, etc) that are useful for global models and remote sensing applications. TAO expands upon historical efforts (e.g., Hess et al., 1998) by building an open database that uses recent measurements and new computational techniques for non-spherical particles. The ‘open’ aspect of TAO is important, since the size distributions, hygroscopicities, refractive indices, and morphological recommendations of today will undoubtedly yield to different values in the future; the open framework of TAO allows scientists to keep adding new computations to the database as the science evolves. TAO is meant to be a community repository where specialists can put their computations for other scientists to use. So for instance, some groups are advancing new techniques that can accommodate complex fractal aggregates of black carbon, other groups are working on realistic irregular shapes for mineral dust, and different groups are updating the hygroscopicity of various aerosol types using new techniques. The TAO database gives these scientists a place to distribute their products. As TAO grows, modelers and remote sensing specialists will look to TAO as a place to find a wide variety of choices for testing. Meanwhile, global modelers can also use TAO to lobby for new tables that accommodate their needs. Eventually, TAO will provide mass extinction coefficients, mass absorption coefficients, lidar ratios, etc., at popular remote sensing and global modeling wavelengths (0.25-40 µm) for all pertinent species (sulfate, sea salt, BC, OC, BrC, dust, etc.). TAO will also accept computations for aerosol ‘type’ (e.g., biomass burning, urban, background, etc.) that may include regional and seasonal variability. Multiple tables may be created for each species or type to account for the multiple valid size distributions, hygroscopicities, complex refractive indices, and shapes that can be found in the literature.

Greg Schuster↗
NASA NTRS2002

NASA Scientific Data Purchase Project: From Collection to User

NASA's Scientific Data Purchase (SDP) project is currently a $70 million operation managed by the Earth Science Applications Directorate at Stennis Space Center. The SDP project was developed in 1997 to purchase scientific data from commercial sources for distribution to NASA Earth science researchers. Our current data holdings include 8TB of remote sensing imagery consisting of 18 products from 4 companies. Our anticipated data volume is 60 TB by 2004, and we will be receiving new data products from several additional companies. Our current system capacity is 24 TB, expandable to 89 TB. Operations include tasking of new data collections, archive ordering, shipment verification, data validation, distribution, metrics, finances, customer feedback, and technical support. The program has been included in the Stennis Space Center Commercial Remote Sensing ISO 9001 registration since its inception. Our operational system includes automatic quality control checks on data received (with MatLab analysis); internally developed, custom Web-based interfaces that tie into commercial-off-the-shelf software; and an integrated relational database that links and tracks all data through operations. We've distributed nearly 1500 datasets, and almost 18,000 data files have been downloaded from our public web site; on a 10-point scale, our customer satisfaction index is 8.32 at a 23% response level. More information about the SDP is available on our Web site.

Nicholson, Lamar↗
NASA NTRS2010

The Interannual Stability of Cumulative Frequency Distributions for Convective System Size and Intensity

The characteristics of convective system populations in West Africa and the western Pacific tropical cyclone basin were analyzed to investigate whether interannual variability in convective activity in tropical continental and oceanic environments is driven by variations in the number of events during the wet season or by favoring large and/or intense convective systems. Convective systems were defined from TRMM data as a cluster of pixels with an 85 GHz polarization-corrected brightness temperature below 255 K and with an area at least 64 km 2. The study database consisted of convective systems in West Africa from May Sep for 1998-2007 and in the western Pacific from May Nov 1998-2007. Annual cumulative frequency distributions for system minimum brightness temperature and system area were constructed for both regions. For both regions, there were no statistically significant differences among the annual curves for system minimum brightness temperature. There were two groups of system area curves, split by the TRMM altitude boost in 2001. Within each set, there was no statistically significant interannual variability. Sub-setting the database revealed some sensitivity in distribution shape to the size of the sampling area, length of sample period, and climate zone. From a regional perspective, the stability of the cumulative frequency distributions implied that the probability that a convective system would attain a particular size or intensity does not change interannually. Variability in the number of convective events appeared to be more important in determining whether a year is wetter or drier than normal.

Mohr, Karen I.↗
DOE OSTI2020

Considerations for AMI-Based Operations for Distribution Feeders

More than $5 billion in investments in advanced metering infrastructure (AMI) technologies, AMI deployments, as pervasive secondary network voltage monitoring systems, provide opportunities for utility operations and controls. This paper focuses on the considerations for AMI-based tools and techniques as the industry moves toward operationalizing such large data sets. Phase identification is a first such tool. Numerous distribution network analysis, monitoring, and control applications - including volt/volt-ampere reactive control, state estimation, and distribution automation - require accurate phase connectivity information in the system models. The phase connectivity database maintained by utilities is inaccurate because of a significant amount of missing data, restoration activities, and network reconfiguration. Existing phase identification techniques that estimate phase connectivity work well in distribution feeders that have low or no photovoltaic (PV) generation; however, they fail to identify the phases accurately when considerable PV generation is present. This work addresses the phase identification problem in the presence of high PV generation using statistical analysis methods. Further, insights into the AMI data requirements for this application in terms of data window length and resolution are provided using sensitivity analysis performed on an actual distribution feeder model of San Diego Gas & Electric Company. The results of this study show that the phase connectivity, even in the presence of high PV generation, can be accurately identified using statistical analysis of AMI data of 1 day.

24 POWER TRANSMISSION AND DISTRIBUTION↗
NASA NTRS1991

An overview of the NASA electronic components information management system

The NASA Parts Project Office (NPPO) comprehensive data system to support all NASA Electric, Electronic, and Electromechanical (EEE) parts management and technical data requirements is described. A phase delivery approach is adopted, comprising four principal phases. Phases 1 and 2 support Space Station Freedom (SSF) and use a centralized architecture with all data and processing kept on a mainframe computer. Phases 3 and 4 support all NASA centers and projects and implement a distributed system architecture, in which data and processing are shared among networked database servers. The Phase 1 system, which became operational in February of 1990, implements a core set of functions. Phase 2, scheduled for release in 1991, adds functions to the Phase 1 system. Phase 3, to be prototyped beginning in 1991 and delivered in 1992, introduces a distributed system, separate from the Phase 1 and 2 system, with a refined semantic data model. Phase 4 extends the data model and functionality of the Phase 3 system to provide support for the NASA design community, including integration with Computer Aided Design (CAD) environments. Phase 4 is scheduled for prototyping in 1992 to 93 and delivery in 1994.

Kramer, G.↗
NASA NTRS2009

The Interannual Stability of Cumulative Frequency Distributions for Convective System Size and Intensity

The characteristics of convective system populations in West Africa and the western Pacific tropical cyclone basin were analyzed to investigate whether interannual variability in convective activity in tropical continental and oceanic environments is driven by variations in the number of events during the wet season or by favoring large and/or intense convective systems. Convective systems were defined from Tropical Rainfall Measuring Mission (TRMM) data as a cluster of pixels with an 85-GHz polarization-corrected brightness temperature below 255 K and with an area of at least 64 square kilometers. The study database consisted of convective systems in West Africa from May to September 1998-2007, and in the western Pacific from May to November 1998-2007. Annual cumulative frequency distributions for system minimum brightness temperature and system area were constructed for both regions. For both regions, there were no statistically significant differences between the annual curves for system minimum brightness temperature. There were two groups of system area curves, split by the TRMM altitude boost in 2001. Within each set, there was no statistically significant interannual variability. Subsetting the database revealed some sensitivity in distribution shape to the size of the sampling area, the length of the sample period, and the climate zone. From a regional perspective, the stability of the cumulative frequency distributions implied that the probability that a convective system would attain a particular size or intensity does not change interannually. Variability in the number of convective events appeared to be more important in determining whether a year is either wetter or drier than normal.

Mohr, Karen I.↗