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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

DABAM: An open-source database of X-ray mirrors metrology

An open-source database containing metrology data for X-ray mirrors is presented. It makes available metrology data (mirror heights and slopes profiles) that can be used with simulation tools for calculating the effects of optical surface errors in the performances of an optical instrument, such as a synchrotron beamline. A typical case is the degradation of the intensity profile at the focal position in a beamline due to mirror surface errors. This database for metrology (DABAM) aims to provide to the users of simulation tools the data of real mirrors. The data included in the database are described in this paper, with details of how the mirror parameters are stored. An accompanying software is provided to allow simple access and processing of these data, calculate the most usual statistical parameters, and also include the option of creating input files for most used simulation codes. In conclusion, some optics simulations are presented and discussed to illustrate the real use of the profiles from the database.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2025

Existing Hydropower Assets (EHA) Annual Gross Generation Plant Database, 2003-2024

Existing Hydropower Asset (EHA) Annual Gross Generation is a geospatial point-level dataset containing annual gross generation over time (2003-2024) and key characteristics of operational U.S. pumped storage and hybrid plants with 1 megawatt or greater of nameplate capacity. EIA 923 and EHA are the primary sources of the derived data. Hydropower units are excluded.

Johnson, Megan [ORNL] (ORCID:0000000290141741)↗
DOE OSTI2025

Existing Hydropower Assets (EHA) Annual Net Generation Plant Database, 2003-2024

Existing Hydropower Asset (EHA) Annual Net Generation is a geospatial point-level dataset containing annual net generation over time (2003-2024) and key characteristics of operational U.S. hydropower plants with 1 megawatt or greater of nameplate capacity. EIA 923 and EHA are the primary sources of the derived data. Pumped storage and hybrid plants are excluded.

Johnson, Megan [ORNL] (ORCID:0000000290141741)↗
DOE OSTI2024

BEAST DB: Grand-Canonical Database of Electrocatalyst Properties

We present BEAST DB, an open-source database comprised of ab initio electrochemical data computed using grand-canonical density functional theory in implicit solvent at consistent calculation parameters. The database contains over 20,000 surface calculations and covers a broad set of heterogeneous catalyst materials and electrochemical reactions. Calculations were performed at self-consistent fixed potential as well as constant charge to facilitate comparisons to the computational hydrogen electrode. This article presents common use cases of the database to rationalize trends in catalyst activity, screen catalyst material spaces, understand elementary mechanistic steps, analyze the electronic structure, and train machine learning models to predict higher fidelity properties. Users can interact graphically with the database by querying for individual calculations to gain a granular understanding of reaction steps or by querying for an entire reaction pathway on a given material using an interactive reaction pathway tool. BEAST DB will be periodically updated, with planned future updates to include advanced electronic structure data, surface speciation studies, and greater reaction coverage.

database↗
DOE OSTI2023

A decay database of coincident γ–γ and γ–X -ray branching ratios for in-field spectroscopy applications

Current fieldable spectroscopy techniques often use single detector systems heavily impacted by interferences from intense background radiation fields. These effects result in low-confidence measurements that can lead to misinterpretation of the collected spectrum. To help improve interpretation of the fission products and short-lived radionuclides produced in a composite sample, a coincidence-database is being developed in support of a robust portable and X-ray coincidence detector system concurrently under development at the Pacific Northwest National Laboratory for in-field deployment. Hitherto, no database exists containing coincident γ–γ and γ–X-ray branching-ratio intensities on an absolute scale that will greatly enhance isotopic identification for in-field applications. As part of this project, software has been developed to parse all radioactive-decay data sets from the Evaluated Nuclear Structure Data File (ENSDF) archive to enable translation into a more useful JavaScript Object Notation (JSON) formats that more readily supports query-based data manipulation. The coincident database described in this work is the first of its kind and contains coincidence γ–γ and γ–X-ray intensities and their corresponding uncertainties, together with auxiliary metadata associated with each decay data set. The new JSON format provides a convenient and portable means of data storage that can be imported into analysis frameworks with relatively low overhead allowing for meaningful comparison with measured data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

NMR Database of Lignin and Cell Wall Model Compounds

This database was designed to provide a coherent, single source of NMR data of lignin and other plant cell wall model compounds. The database exists as an Adobe pdf cross-platform file for viewing and printing. This is the latest public version of the Database, version 2024/08 updated from the 2009 version.

cell wall↗
DOE OSTI2024

Integration of the NCRC Database and Other INL Databases

The Nuclear Computational Resource Center provides a portal by which industry professionals, educational staff, students, national laboratory employees, and others may request access to certain engineering software tools. As the tools provided through the Nuclear Computational Resource Center portal are not open-source and freely available, a set of approvals are necessary before access is granted. All code recipients must be associated with an institution that has a license with Idaho National Laboratory for the code requested. Information about these licenses is controlled by Idaho National Laboratory’s Technology Deployment organization and housed in a Technology Deployment database. Those requesting code access who are not citizens of the United States must also have a security plan, mandated by Idaho National Laboratory policy. Security plans are managed by the International Access Program and are stored in an International Access Program database known as IFacts. Granting access to software thus depends on information stored in the Technology Deployment database and IFacts. In the past, no connection between the Nuclear Computational Resource Center portal and these databases existed, making checking the status of license agreements and security plans time consuming and error prone. This report demonstrates that the Nuclear Computational Resource Center portal now connects to both the Technology Deployment database and IFacts, greatly improving the ease of use of the Nuclear Computational Resource Center system for administrators, which leads to a better overall experience for those requesting code access.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2015

Organ Impairment-Drug-Drug Interaction Database: A Tool for Evaluating the Impact of Renal or Hepatic Impairment and Pharmacologic Inhibition on the Systemic Exposure of Drugs: Organ Impairment-Drug-Drug Interaction Database

The organ impairment and drug–drug interaction (OI-DDI) database is the first rigorously assembled database of pharmacokinetic drug exposure data from publicly available renal and hepatic impairment studies presented together with the maximum change in drug exposure from drug interaction inhibition studies. The database was used to conduct a systematic comparison of the effect of renal/hepatic impairment and pharmacologic inhibition on drug exposure. Additional applications are feasible with the public availability of this database

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

Oak Ridge Reservation Environmental Protection Rad Neshaps Radionuclide Inventory Web Database and Rad Neshaps Source and Dose Database

The U.S. Environmental Protection Agency promulgated national emission standards for emissions of radionuclides other than radon from US Department of Energy facilities in Chapter 40 of the Code of Federal Regulations (CFR) 61, Subpart H. This regulatory standard limits the annual effective dose that any member of the public can receive from Department of Energy facilities to 0.1 mSv. As defined in the preamble of the final rule, all of the facilities on the Oak Ridge Reservation, i.e., the Y–12 National Security Complex, Oak Ridge National Laboratory, East Tennessee Technology Park, and any other U.S. Department of Energy operations on Oak Ridge Reservation, combined, must meet the annual dose limit of 0.1 mSv. At Oak Ridge National Laboratory, there are monitored sources and numerous unmonitored sources. To maintain radiological source and inventory information for these unmonitored sources, e.g., laboratory hoods, equipment exhausts, and room exhausts not currently venting to monitored stacks on the Oak Ridge National Laboratory campus, the Environmental Protection Rad NESHAPs Inventory Web Database was developed. This database is updated annually and is used to compile emissions data for the annual Radionuclide National Emission Standards for Hazardous Air Pollutants (Rad NESHAPs) report required by 40 CFR 61.94. It also provides supporting documentation for facility compliance audits. In addition, a Rad NESHAPs source and dose database was developed to import the source and dose summary data from Clean Air Act Assessment Package—1988 computer model files. As a result, this database provides Oak Ridge Reservation and facility-specific source inventory; doses associated with each source and facility; and total doses for the Oak Ridge Reservation dose.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2022

Scalability Testing Approach for Internet of Things for Manufacturing SQL and NoSQL Database Latency and Throughput

The proliferation of low-cost sensors and industrial data solutions has continued to push the frontier of manufacturing technology. Machine learning and other advanced statistical techniques stand to provide tremendous advantages in production capabilities, optimization, monitoring, and efficiency. The tremendous volume of data gathered continues to grow, and the methods for storing the data are critical underpinnings for advancing manufacturing technology. This work aims to investigate the ramifications and design tradeoffs within a decoupled architecture of two prominent database management systems (DBMS): sql and NoSQL. A representative comparison is carried out with Amazon Web Services (AWS) DynamoDB and AWS Aurora MySQL. The technologies and accompanying design constraints are investigated, and a side-by-side comparison is carried out through high-fidelity industrial data simulated load tests using metrics from a major US manufacturer. The results support the use of simulated client load testing for comparing the latency of database management systems as a system scales up from the prototype stage into production. As a result of complex query support, MySQL is favored for higher-order insights, while NoSQL can reduce system latency for known access patterns at the expense of integrated query flexibility. Here, by reviewing this work, a manufacturer can observe that the use of high-fidelity load testing can reveal tradeoffs in IoTfM write/ingestion performance in terms of latency that are not observable through prototype-scale testing of commercially available cloud DB solutions.

AWS↗
DOE OSTI2017

The HITRAN2016 molecular spectroscopic database

This paper describes the contents of the 2016 edition of the HITRAN molecular spectroscopic compilation. The new edition replaces the previous HITRAN edition of 2012 and its updates during the intervening years. The HITRAN molecular absorption compilation is comprised of five major components: the traditional line-by-line spectroscopic parameters required for high-resolution radiative-transfer codes, infrared absorption cross-sections for molecules not yet amenable to representation in a line-by-line form, collision-induced absorption data, aerosol indices of refraction, and general tables such as partition sums that apply globally to the data. The new HITRAN is greatly extended in terms of accuracy, spectral coverage, additional absorption phenomena, added line-shape formalisms, and validity. Moreover, molecules, isotopologues, and perturbing gases have been added that address the issues of atmospheres beyond the Earth. Of considerable note, experimental IR cross-sections for almost 200 additional significant molecules have been added to the database.

Gordon, I. E.↗
DOE OSTI2015

The Majorana Parts Tracking Database

The MAJORANA DEMONSTRATOR is an ultra-low background physics experiment searching for the neutrinoless double beta decay of 76Ge. The MAJORANA Parts Tracking Database is used to record the history of components used in the construction of the DEMONSTRATOR. Transportation, storage, and processes undergone by parts such as machining or cleaning are linked to part records. Tracking parts provides a great logistics benefit and an important quality assurance reference during construction. In addition, the location history of parts provides an estimate of their exposure to cosmic radiation. A web application for data entry and a radiation exposure calculator have been developed as tools for achieving the extreme radiopurity required for this rare decay search.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2017

A structural examination and collision cross section database for over 500 metabolites and xenobiotics using drift tube ion mobility spectrometry

The confident identification of metabolites and xenobiotics in biological and environmental studies is an analytical challenge due to their immense dynamic range, vast chemical space and structural diversity. Ion mobility spectrometry (IMS) is widely used for small molecule analyses since it can separate isomeric species and be easily coupled with front end separations and mass spectrometry for multidimensional characterizations. However, to date IMS metabolomic and exposomic studies have been limited by an inadequate number of accurate collision cross section (CCS) values for small molecules, causing features to be detected but not confidently identified. In this work, we utilized drift tube IMS (DTIMS) to directly measure CCS values for over 450 small molecules including primary metabolites, secondary metabolites and xenobiotics. Since DTIMS measurements do not need calibrates, they avoid calibration errors which can cause CCS accuracy problems and difficulties identifying structurally similar molecules. Furthermore, all measurements were performed in triplicate in both positive and negative polarities with nitrogen gas and seven different electric fields, so that relative standard deviations (RSD) could be assessed for each molecule and structural differences studied. The primary metabolites selected for the database are from key metabolism pathways such as glycolysis, the pentose phosphate pathway, and the tricarboxylic acid (TCA) cycle, while the secondary metabolites consist of classes such as terpenes and flavonoids, and the xenobiotics represent a range of molecules from antibiotics to polycyclic aromatic hydrocarbons. Different CCS trends were observed for several of the diverse small molecule classes, allowing insight in their separations and a possible why of classifying unknowns. This CCS database and structural information are freely available for download at http://panomics.pnnl.gov/metabolites/ with new molecules being added monthly.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Reservoir Sediment Management and Monitoring Database

Overview This dataset compiles dam sediment management and monitoring information from surveys, case studies, and journal articles. Additionally, features described by the National Inventory of Dams (i.e., presence of sluice gates) are included to indicate known infrastructure features that may address sediment releases. The location and description of records from downstream monitoring gages are catalogued in order to help with tracking conditions over time (e.g., before and after management actions, as operations change, etc.). The data help address national scale understanding of challenges and solutions related to the accumulation of sediment behind a dam as well as downstream passage. Sediment trapping causes problems as it reduces storage capacity, disrupts dam and reservoir function, impedes access for recreation, alters water quality/habitat conditions, and contributes to riverbank and coastal erosion within the reservoir. Data compilation from a variety of sources is a first step towards assessing system-wide efficacy of management solutions. This dataset was developed under the Water Power Technologies Office funded effort which began as a Seedling on Reservoir Sedimentation Data, and was supported by the Reservoir Sedimentation Modeling Framework and Data Analysis project. These projects have addressed challenges in describing sediment transport, trapping, and management at dams throughout the US. Methodology An outer join on dams/reservoirs with surveys and survey reports (documented in the RESSED database, USBR or USACE databases, project websites, etc.) with the National Inventory of Dams, based on the NIDID to determine dams with documented management and/or sluice gates. Additional dams with documented management activity were identified through review of technical articles from the past 25 years in Journal of Hydrology, Journal of Water Resources Planning and Management, Geomorphology, Journal of Hydraulic Engineering, Water, Journal of Cleaner Production, International Journal of Sediment Research, Nature Scientific Reports, Earth Surface Processes and Landforms, and Environmental Science and Pollution Research. Individual records were created for each survey or management activity documented. To evaluate downstream sediment monitoring records, the nhdPlusTools and dataRetrieval packages in R were used to find gages within 10km of each dam in the management database. Length of record and location of matched gages were retrieved for those parameters relevant to sediment concentration or total sediment discharge.

Hansen, Carly [ORNL] (ORCID:0000000193280838)↗