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At least 1,135 records · Page 63

Improvements in ORIGEN Resource Readers

As part of the effort to modernize the ORIGEN depletion code [1], various “resources” have been created to store the fundamental nuclear data required for ORIGEN calculations, such as fission yields, decay data, and cross sections. The resources provide a convenient interface to load the same data from various file formats. Resources can be used directly in unit conversions (e.g., the decay resource can be used to convert atoms to activity) and are the fundamental input used to create an ORIGEN library, which is a fixed data collection of a specific set of nuclides and transitions. This report focuses on the extension of the yield resource and the decay resource, which allow ENDF-formatted nuclear data files [2] to be read directly.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

User-Preference-Driven Model Predictive Control of Residential Building Loads and Battery Storage for Demand Response: Preprint

This paper presents a user-preference-driven home energy management system (HEMS) for demand response (DR) with residential building loads and battery storage. The HEMS is based on a multi-objective model predictive control algorithm, where the objectives include energy cost, thermal comfort, and carbon emission. A multi-criterion decision making method originating from social science is used to quickly determine user preferences based on a brief survey and derive the weights of different objectives used in the optimization process. Besides the residential appliances used in the traditional DR programs, a home battery system is integrated into the HEMS to improve the flexibility and reliability of the DR resources. Simulation studies have been performed on field data from a residential building stock data set. Appliance models and usage patterns were learned from the data to predict the DR resource availability. Results indicate the HEMS was able to provide a significant amount of load reduction with less than 20% prediction error in both heating and cooling cases.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Operations Concept for Responding to Urgent Requests for NASA-ISRO Synthetic Aperture Radar (NISAR)

The NASA-ISRO Synthetic Aperture Radar, or NISAR, mission is an Earth-mapping radar observatory to be launched from Sriharikota (India) in 2022. This mission is a collaboration between the National Aeronautics and Space Administration (NASA) and the Indian Space Research Organization (ISRO). This spacecraft will carry two instruments that will operate at radar wavelengths (L and Sband) and will provide data for understanding changes in the Earth’s land surface. The scientific data from this mission will revolutionize our understanding of the causes and consequences of land surface changes on Earth, ranging from Solid Earth Deformation in the form of natural hazards like earthquakes, volcanic eruptions and landslides, to ecosystem disturbances, to changes in the cryosphere (measurements of polar ice caps, ice sheets and sea ice). A nominal Reference Observation Plan, that repeats roughly every 12-24 days, developed prior to launch by the NISAR Mission Planning team, in consultation with the Science Team, will form the basis of science data collection by the payload instruments onboard the NISAR observatory after launch. Scheduling of science observations for the mission requires accounting for limited spacecraft resources like onboard data storage, downlink capacity, energy/power, thermal limits and instrument duty cycles. In addition to nominal science data collection, the project has a Level 1 requirement to respond to requests for urgent data acquisition over disaster sites (natural or anthropogenic) by scheduling new acquisitions within 24 hrs of notification and delivering science data within 5 hours of data acquisition. This capability is to be exercised on a ‘best-efforts basis’. While the definition of what constitutes an ‘urgent request’, and how such requests would be submitted to the project, is within the domain of the Science Team, the Mission System team is responsible for developing the baseline operations concept and implementation approach for responding to such requests. Given the ‘best-efforts’ nature of this requirement, a few highlevel guidelines have been developed to help guide the formulation of the operations concept, and are presented in this paper. Requests for urgent response data will be accommodated following the guiding principle of minimal to no impact on nominal science and planned engineering activities. No change in satellite orbit or attitude will be made for urgent response. Restricting response approaches to only changing the downlink and/or ground processing priority for existing observations, and adding new observations only in areas where NISAR will not be nominally imaging, allows for minimal impact on the Reference science Observation Plan. No instrument mode changes will be allowed for urgent response (except for high-priority requests), and no new observations that impact either planned science or engineering activities will be scheduled. Additionally, data requests must fit within the available project resource margins (both spacecraft and ground resources are to be evaluated). Both JPL and ISRO will be involved at various steps of the implementation, irrespective of whether the urgent request is for L-SAR (NASA instrument) or S-SAR (ISRO instrument) or a joint dataset.

Sharma, Priyanka↗

Geological questions and significant results provided by early ERTS-1 data

There are no author-identified significant results in this report. The organization for evaluating the uses of Earth Resources Technology Satellite data of the United States and foreign areas is described. The implementation of a system to disseminate the data to the geographical areas of interest is discussed. Brief descriptions are included of data received for the following areas: (1) east coast, (2) central United States, (3) western mountain areas, (4) west coast areas, and (5) Alaska. It is concluded that the multiband approach is useful with each of the bands providing unique and useful information. The difficulties in handling the data if all seven bands are used are examined.

Carter, W. D.↗

Study of Thematic Mapper and Multispectral Scanner Data Applications

The U.S. Geological Survey EROS Data Center evaluated the utility of LANDSAT multispectral scanner (MSS) and Thematic Mapper (TM) data for natural resource assessment and land cover information, emphasizing manual interpretation and digital classification of the data for U.S. Department of the Interior applications. In most cases, substantially more information was derived from TM data than from MSS data. The test areas included Washington, D.C. and prairie regions of South Dakota and Kansas.

Sadowski, F. G.↗

Data for Post-Access Report: Tidal Energy Resource Characterization and Model Validation via the Assessment of Cost-effective Spatially Distributed Current Measurements from microFloat Swarms

This project evaluated how high-resolution, spatially distributed field data can be used to refine and validate site-scale hydrodynamic simulations of tidal channels. Use of such spatially-distributed field observations or site-scale hydrodynamic simulations will be needed for producing accurate predictions of tidal energy production over larger arrays of tidal turbines. The data contained in this archive includes field observations of water velocity from a series of short surveys in Agate Pass taken on August 20th, 2020 using station-keeping ADCP (acoustic doppler current profiler) measurements, drifting downward-looking ADCPs, and microFloats, gathered by researchers at APL-UW under a previous project. It also includes high-resolution hydrodynamic model runs for the site during that time generated under TEAMER support. An explanatory file (.pdf format) describes the survey and field data structure. Processed data is stored in .mat format. Survey summary: start time, number of floats, water level. microFloat data: - Cleaned data for each float in survey, - Time series of position (lat., lon.), depth (relative to surface), and horizontal velocity (u, v) Drifting ADCP data: - Cleaned data for each drifting ADCP in survey - Time series of position (lat., lon.), sample depth (relative to surface), and observed water velocity (u,v,w) Stationary ADCP data: - Cleaned data for each station-keeping data set in survey - Time series of position (lat., lon.), sample depth (relative to surface), and observed water velocity (u,v,w) FVCOM (Finite Volume Coastal Ocean Model) model outputs: Water level and velocity, as well as derived variables (e.g., power density) from the final refined model simulations for the Agate Pass subdomain. Contained in NetCDF and ASCII files for the duration of August 18th and 20th 2020 field surveys. Additional scripts for processing the data and generating the figures in the report are included.

16 TIDAL AND WAVE POWER↗

Bayesian calibration of groundwater models with input data uncertainty

Effective water resources management typically relies on numerical models to analyze groundwater flow and solute transport processes. Groundwater models are often subject to input data uncertainty, as some inputs (such as recharge and well pumping rates) are estimated and subject to uncertainty. Current practices of groundwater model calibration often overlook uncertainties in input data; this can lead to biased parameter estimates and compromised predictions. Through a synthetic case study of surface–ground water interaction under changing pumping conditions and land use, we investigate the impacts of uncertain pumping and recharge rates on model calibration and uncertainty analysis. We then present a Bayesian framework of model calibration to handle uncertain input of groundwater models. The framework implements a marginalizing step to account for input data uncertainty when evaluating likelihood. It was found that not accounting for input uncertainty may lead to biased, overconfident parameter estimates because parameters could be over–adjusted to compensate for possible input data errors. Parameter compensation can have deleterious impacts when the calibrated model is used to make forecast under a scenario that is different from calibration conditions. By marginalizing input data uncertainty, the Bayesian calibration approach effectively alleviates parameter compensation and gives more accurate predictions in the synthetic case study. The marginalizing Bayesian method also decomposes prediction uncertainty into uncertainties contributed by parameters, input data, and measurements. Furthermore, the results underscore the need to account for input uncertainty to better inform postmodeling decision making.

54 ENVIRONMENTAL SCIENCES↗

Virtual Energetic Particle Observatory (VEPO)

The Virtual Energetic Particle Observatory (VEPO) focuses on improved discovery, access, and usability of heliospheric energetic particle and ancillary data products from selected spacecraft and sub-orbital instruments of the heliophysics data environment. The energy range of interest extends over the full range of particle acceleration from keV energies of suprathermal seed particles to GeV energies of galactic cosmic ray particles. Present spatial coverage is for operational and legacy spacecraft operating from the inner to the outer heliosphere, e.g. from measurements by the two Helios spacecraft to 0.3 AU to the inner heliosheath region now being traversed by the two Voyager spacecraft. This coverage will eventually be extended inward to ten solar radii by the planned NASA solar probe mission and at the same time beyond the heliopause into the outer heliosheath by continued Voyager operations. The geospace fleet of spacecraft providing near-Earth interplanetary measurements, selected magnetospheric spacecraft providing direct measurements of penetrating interplanetary energetic particles, and interplanetary cruise measurements from planetary spacecraft missions further extend VEPO resources to the domain of geospace and planetary interactions. Ground-based (e.g., neutron monitor) and high-altitude suborbital measurements can expand coverage to the highest energies of galactic cosmic rays affected by heliospheric interaction and of solar energetic particles. Science applications include investigation of solar flare and coronal mass ejection events. acceleration and transport of interplanetary particles within the inner heliosphere, cosmic ray interactions with planetary surfaces and atmospheres, sources of suprathermal and anomalous cosmic ray ions in the outer heliosphere, and solar cycle modulation of galactic cosmic rays. Robotic and human exploration, and eventual habitation, of planetary and space environments beyond the Earth require knowledge of radiation hazards informed by VEPO data resources. The VEPO project has completed the first year of work to define science requirements, to document and register selected data products in SPASE format while evolving SPASE for increased applicability to VEPO data, and to support enhanced discovery and access for these products through the evolving data query and middleware system of the Virtual Heliospheric Observatory (VHO). The VEPO team operates as a heliophysics focus group for energetic particle data resources in partnership with VHO and also leverages existing data services of NASA's Space Physics Data Facility. We invite comments from the U.S. and international data provider and user communities on review of the current VEPO/VHO user interface, on directions for future evolution of VEPO and supporting data systems including VHO and SPDF, and on relations to other elements of the heliophysics virtual observatory environment.

Cooper, John F.↗

Quasi-Classical Trajectory Calculation of Rate Constants Using an Ab Initio Trained Machine Learning Model (aML-MD) with Multifidelity Data

Machine learning (ML) provides a great opportunity for the construction of models with improved accuracy in classical molecular dynamics (MD). However, the accuracy of a ML trained model is limited by the quality and quantity of the training data. Generating large sets of accurate ab initio training data can require significant computational resources. Furthermore, inconsistent or incompatible data with different accuracies obtained using different methods may lead to biased or unreliable ML models that do not accurately represent the underlying physics. Recently, transfer learning showed its potential for avoiding these problems as well as for improving the accuracy, efficiency, and generalization of ML models using multifidelity data. In this work, ab initio trained ML-based MD (aML-MD) models are developed through transfer learning using DFT and multireference data from multiple sources with varying accuracy within the Deep Potential MD framework. Further, the accuracy of the force field is demonstrated by calculating rate constants for the H + HO 2 → H 2 + 3 O 2 reaction using quasi-classical trajectories. We show that the aML-MD model with transfer learning can accurately predict the rate constants while reducing the computational cost by more than five times compared to the use of more expensive quantum chemistry training data sets. Hence, the aML-MD model with transfer learning shows great potential in using multifidelity data to reduce the computational cost involved in generating the training set for these potentials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

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↗

Road Lidar Dataset for the TxDOT Austin District

This is a road lidar data collection for developing road elevation models and road inundation mapping methodologies, a joint work between ORNL and The University of Texas at Austin. This dataset is generated as part of the flood transportation infrastructure, partly funded by the NOAA CIROH project. ORNL is a project partner for high-performance computing-empowered flood inundation mapping methodology R&D. The dataset is computed using a GPU-accelerated lidar data processing workflow developed at ORNL. The lidar data source is from TxGIO, the state lidar data collection site. The output dataset is in two formats: laz and copc. It is organized by TxDOT's maintenance sections, covering the Austin District. Data size: 3.86 billion road lidar points, 1.67% of the entire lidar data input Projection: EPSG:32614 (WGS84/UTM zone 14N) Website: https://web.corral.tacc.utexas.edu/nfiedata/road3d/austin_district/AustinMaintenanceSections_H_epsg6343_V_epsg5703/ LICENSE FOR USE -- MAPS AND DATA DISCLAIMER This resource is shared under the Creative Commons Attribution CC BY, http://creativecommons.org/licenses/by/4.0/ MAPS AND DATA DISCLAIMER The Oak Ridge National Laboratory (ORNL) shall not be held liable for improper or incorrect use of the data described or information contained on this map or associated series of maps. The data and related map graphics are not legal, land survey or engineering documents and are not intended to be used as such. ORNL gives no warranty, express or implied, as to the accuracy, reliability, utility or completeness of this information. The user of these maps and data assumes all responsibility and risk for the use of the maps and data. ORNL disclaims all warranties, representations or endorsements either express or implied, with regard to the information contained in this map product, including, but not limited to, all implied warranties of merchantability, fitness for a particular purpose or non-infringement. This preliminary map product is for research and review purposes only. It is not intended to be used for emergency management operational or life safety decisions at the local or regional governmental level or by the general public. Users requiring information regarding hazardous conditions or meteorological conditions for specific geographic areas should consult directly with their city or county emergency management office.

54 ENVIRONMENTAL SCIENCES↗

Geothermally Coupled Well-Based Compressed Air Energy Storage

Previous work by McGrail et al. (2013, 2015) has evaluated the possibility of pairing compressed air energy storage with geothermal resources in lieu of a fossil-fired power generation component, and suggests that such applications may be cost competitive where geology is favorable to siting both the geothermal and CAES components of such a system. Those studies also note that the collocation of subsurface resources that meet both sets of requirements are difficult to find in areas that also offer infrastructure and near- to mid-term market demand for energy storage. This study examines a novel application for the compressed air storage portion of the project by evaluating the potential to store compressed air in disused wells by amending well casings to serve as subsurface pressure vessels. Because the wells themselves would function in lieu of a geologic storage reservoir for the CAES element of the project, siting could focus on locations with suitable geothermal resources, as long as there was also existing wellfield infrastructure that could be repurposed for air storage. Existing wellfields abound in the United States, and with current low energy prices, many recently productive fields are now shut in. Should energy prices remain stagnant, these idle fields will be prime candidates for decommissioning unless they can be transitioned to other uses, such as redevelopment for energy storage. In addition to the nation’s ubiquitous oil and gas fields, geothermal fields, because of their phased production lifetimes, also may offer many abandoned wellbores that could be used for other purposes, often near currently productive geothermal resources. These existing fields offer an opportunity to decrease exploration and development uncertainty by leveraging data developed during prior field characterization, drilling, and production. They may also offer lower-cost deployment options for hybrid geothermal systems via redevelopment of existing well-field infrastructure. This project assessed the technical and economic feasibility of implementing geothermally coupled well-based CAES for grid-scale energy storage. Based on an evaluation of design specifications for a range of casing grades common in U.S. oil and gas fields, a 5-MW CAES project could be supported by twenty to twenty-five 5,000-foot, 7-inch wells using lower-grade casing, and as few as eight such wells for higher-end casing grades. Using this information, along with data on geothermal resources, well density, and potential future markets for energy storage systems, The Geysers geothermal field was selected to parameterize a case study to evaluate the potential match between the proven geothermal resource present at The Geysers and the field’s existing well infrastructure. Based on calculated wellbore compressed air mass, the study shows that a single average geothermal production well could provide enough geothermal energy to support a 15.4-MW (gross) power generation facility using 34 to 35 geothermal wells repurposed for compressed air storage, resulting in a simplified levelized cost of electricity (sLCOE) estimated at 11.2 ¢/kWh (Table S.1). Accounting for the power loss to the geothermal power project associated with diverting geothermal resources for air heating results in a net 2-MW decrease in generation capacity, increasing the CAES project’s sLCOE by 1.8 ¢/kWh.

15 GEOTHERMAL ENERGY↗

Geothermally Coupled Well-Based Compressed Air Energy Storage

Previous work by McGrail et al. (2013, 2015) has evaluated the possibility of pairing compressed air energy storage with geothermal resources in lieu of a fossil-fired power generation component, and suggests that such applications may be cost competitive where geology is favorable to siting both the geothermal and CAES components of such a system. Those studies also note that the collocation of subsurface resources that meet both sets of requirements are difficult to find in areas that also offer infrastructure and near- to mid-term market demand for energy storage. This study examines a novel application for the compressed air storage portion of the project by evaluating the potential to store compressed air in disused wells by amending well casings to serve as subsurface pressure vessels. Because the wells themselves would function in lieu of a geologic storage reservoir for the CAES element of the project, siting could focus on locations with suitable geothermal resources, as long as there was also existing wellfield infrastructure that could be repurposed for air storage. Existing wellfields abound in the United States, and with current low energy prices, many recently productive fields are now shut in. Should energy prices remain stagnant, these idle fields will be prime candidates for decommissioning unless they can be transitioned to other uses, such as redevelopment for energy storage. In addition to the nation’s ubiquitous oil and gas fields, geothermal fields, because of their phased production lifetimes, also may offer many abandoned wellbores that could be used for other purposes, often near currently productive geothermal resources. These existing fields offer an opportunity to decrease exploration and development uncertainty by leveraging data developed during prior field characterization, drilling, and production. They may also offer lower-cost deployment options for hybrid geothermal systems via redevelopment of existing well-field infrastructure. This project assessed the technical and economic feasibility of implementing geothermally coupled well-based CAES for grid-scale energy storage. Based on an evaluation of design specifications for a range of casing grades common in U.S. oil and gas fields, a 5-MW CAES project could be supported by twenty to twenty-five 5,000-foot, 7-inch wells using lower-grade casing, and as few as eight such wells for higher-end casing grades. Using this information, along with data on geothermal resources, well density, and potential future markets for energy storage systems, The Geysers geothermal field was selected to parameterize a case study to evaluate the potential match between the proven geothermal resource present at The Geysers and the field’s existing well infrastructure. Based on calculated wellbore compressed air mass, the study shows that a single average geothermal production well could provide enough geothermal energy to support a 15.4-MW (gross) power generation facility using 34 to 35 geothermal wells repurposed for compressed air storage, resulting in a simplified levelized cost of electricity (sLCOE) estimated at 11.2 ¢/kWh (Table S.1). Accounting for the power loss to the geothermal power project associated with diverting geothermal resources for air heating results in a net 2-MW decrease in generation capacity, increasing the CAES project’s sLCOE by 1.8 ¢/kWh.

25 ENERGY STORAGE↗

Parametric design of ground data processing/support systems for advanced sensor systems

A parametric system design technique has been applied to ground data processing/support systems for advanced sensor applications. The system establishes a direct link between budget analysts and system planners. Three primary phases are identified: the definition of requirements, system design, and system costing. The system is evaluated for three cases: (1) a study of ground data handling systems for earth resource satellites, (2) a ground data mass storage and processing system for agricultural remote-sensing studies, and (3) a parametric study of shuttle era data processing support required for atmospheric and space physics.

Denny, C.↗

DBMS UTILIZATION: A Corporate Information System (CIS) development approach

The Corporate Information System (CIS), an integrated information system intended to tie the corporation together as a functioning entity, is described. In addition to being a major upgraded automated data processing system, the CIS is a management philosophy which recognizes data as a valuable corporate resource and which distinguishes between data and selected data, or information. It further recognizes that different users need different kinds of information. Plans for CIS development are discussed. It will offer its users not just after-the-fact data, but timely information in a format that is meaningful and useful to the particular user, so that the information can be applied in planning, controlling, and decision making by all levels of management. In effect, CIS will help the corporation itself to function as a total, integrated system by typing together administrative activities through information exchange. The CIS supports the operational, tactical control, and strategic planning functions of the corporation. Operational functions are the day-to-day processing necessary to support the corporation's work, such as purchasing and payroll.

Rozett, P.↗

Long-Term Preservation of NASA Heliophysics Data and Access: Where We Were and Where We're Going

The importance of ensuring preservation and useful access to the unique science potential of past, present and future NASA solar and space physics (i.e. heliophysics) data has been recognized since the inception of NASA but remains challenging. In this talk, I will briefly review the history of this topic and and then discuss the present NASA model for heliophysics science data management, including key current resources for finding and using data projects like the Space Physics Data Facility. I will highlight expected future directions, building on working elements of the present program and exploiting new technology, to further improve the data environment, address existing issues and anticipate emerging challenges.

McGuire, Robert E.↗

Advanced Query and Data Mining Capabilities for MaROS

The Mars Relay Operational Service (MaROS) comprises a number of tools to coordinate, plan, and visualize various aspects of the Mars Relay network. These levels include a Web-based user interface, a back-end "ReSTlet" built in Java, and databases that store the data as it is received from the network. As part of MaROS, the innovators have developed and implemented a feature set that operates on several levels of the software architecture. This new feature is an advanced querying capability through either the Web-based user interface, or through a back-end REST interface to access all of the data gathered from the network. This software is not meant to replace the REST interface, but to augment and expand the range of available data. The current REST interface provides specific data that is used by the MaROS Web application to display and visualize the information; however, the returned information from the REST interface has typically been pre-processed to return only a subset of the entire information within the repository, particularly only the information that is of interest to the GUI (graphical user interface). The new, advanced query and data mining capabilities allow users to retrieve the raw data and/or to perform their own data processing. The query language used to access the repository is a restricted subset of the structured query language (SQL) that can be built safely from the Web user interface, or entered as freeform SQL by a user. The results are returned in a CSV (Comma Separated Values) format for easy exporting to third party tools and applications that can be used for data mining or user-defined visualization and interpretation. This is the first time that a service is capable of providing access to all cross-project relay data from a single Web resource. Because MaROS contains the data for a variety of missions from the Mars network, which span both NASA and ESA, the software also establishes an access control list (ACL) on each data record in the database repository to enforce user access permissions through a multilayered approach.

Wang, Paul↗