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Spatial Study 2022: Water Column, Sediment, and Total Ecosystem Respiration Rates across the Yakima River Basin, Washington, USA (v2)

This dataset supports a broader study examining the drivers of spatial variability in sediment respiration rates in the Yakima River Basin and is associated with the manuscript “Sediment-associated processes account for most of the spatial variation in ecosystem respiration in the Yakima River basin” submitted to Nature Communications Earth & Environment (Garayburu-Caruso et al., in review). The dataset provides ecosystem metabolism estimates generated from streamMetabolizer (Appling et al.; 2018) using data collected during the same five-week period at 48 sites within multiple rivers throughout the Yakima River Basin in Washington, USA. Additionally, it includes the scripts used for the analysis and producing the figures in the manuscript. The contents include streamMetabolizer inputs and outputs and additional relevant data needed to generate the main manuscript results. The data included are: total ecosystem respiration, water respiration, calculated sediment-associated respiration, gross primary production outputs from the river corridor model for the Yakima River Basin, median grain size (d50), depth, dissolved oxygen, water temperature, pressure, and annual oxygen consumption. The associated GitHub repository can be found at https://github.com/river-corridors-sfa/SSS_metabolism. Samples collected during this study were labeled as “Second Spatial Study” or “SSS.” Raw time series sensor data, total suspended solids, and depth data from SSS were published at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1969566. A subset of data from the SSS samples were published in the contiguous United States (CONUS)-Scale Model-Sample (CM) study data package available at https://data.ess-dive.lbl.gov/view/doi:10.15485/1923689 that presents data from across the CONUS. They include dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC), total nitrogen (TN), grain size, aerobic sediment respiration, dissolved oxygen (DO), and temperature. Parent IDs and Site IDs are consistent between the SSS and CM data packages, and they can be mapped directly so data across packages can be used together. Field metadata for the samples in this da This dataset is comprised of one main data folder with four subfolders. The main data folder contains of (1) file-level metadata; (2) data dictionary; (3) total/water column/sediment respiration; (4) gross primary production (GPP); (5) median grain size (d50); and (6) annual oxygen consumption. The “Figures” subfolder contains the figures used in the paper and all intermediate files (including geospatial files). The “Published_Data” contains a readme directing the user to download the public data to reproduce analyses and figures. The “Scripts” folder contains all scripts used in the analyses that were not part of running StreamMetabolizer. Lastly, the “Stream_Metabolizer” folder contains all files associated with running StreamMetabolizer including (1) model input files, (2) model output files, (3) processing scripts, (4) histogram plots of the outputs, and (5) an R project. All files are .csv, .pdf, .R, .Rmd, .Rproj, .html, .png, .txt, .qgz, .cpg, .dbf, .prj, .shp, .shp.ea.iso.xml, .shp.iso.xml, .shx, .sbn. ta package can be found at either link. We acknowledge the Yakama Nation as owners and caretakers of the lands where we collected these data. We thank the Confederated Tribes and Bands of the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate sample collection and optimization of data usage according to their values and worldview.

54 ENVIRONMENTAL SCIENCES↗

NARUC grid data sharing playbook

In 2022, the National Association of Regulatory Utility Commissioners (NARUC) launched an initiative to support its members in addressing issues related to grid data sharing. The Grid Data Sharing Collaborative was funded by the DOE’s Office of Electricity and Office of Cybersecurity, Energy Security, and Emergency Response (CESER). NARUC invited programmatic, policy, technical, and cybersecurity subject matter experts from public utility commissions, utilities, non-governmental organizations, energy service companies, and DOE to join the two-year Grid Data Sharing Collaborative to help develop a flexible framework for states to use as a starting point when navigating complex decision-making inherent in grid data sharing. The framework took shape through a series of intensive workshops during which Collaborative participants explored illustrative use cases to identify data needs, articulate the benefits and risks of sharing such data, and assess the trade-offs. Along the way, participants offered suggestions for how the framework could be used in practice. The purpose of this playbook is to describe the elements of the Grid Data Sharing Framework and to begin supporting its implementation.

24 POWER TRANSMISSION AND DISTRIBUTION↗

The PARADIGM Project: Case Study in Balancing Experiment Uncertainty with Design simplicity

Accurate nuclear data are required for simulations of many applications including nuclear criticality safety. Actinide nuclear data at intermediate energies (from 1 to 100s of keV) are imprecise and inaccurate, because of scarce differential data, and an insufficient theory approach to capture the structures expected in the data to yield evaluated nuclear data, and lack of integral data for proper validation. This is a known deficiency but has proved challenging to address. More specifically, only 5% of integral experiments in the International Criticality Safety Benchmark Evaluation Project (ICSBEP) benchmark suite address intermediate energies (Fig. 1). Associated calculated effective multiplication factor, k eff , values for these experiments are far outside the experimental uncertainties and are 25× further from experiment than for fast energies. These differences could either stem from systematic biases in nuclear data, experiments or both. The goal of the PARADIGM (PARallel Approach of Differential and InteGral Measurements) project is to significantly reduce (by more than tens of percent) the uncertainties of intermediate energy actinide nuclear data. The PARADIGM project designed and intends to execute LANSCE (Los Alamos Neutron Science CEnter) and NCERC (National Criticality Experiments Research Center) intermediate experiments in parallel. They will specifically address a high priority nuclear data need—reducing bias and uncertainty in intermediate plutonium nuclear data. The two experiment will achieve that by informing each other and nuclear theory. By doing all these steps in parallel, the timeline to deliver improved nuclear data to users will significantly be reduced. This work will focus on the integral experiment final design and the balance of design and modeling simplicity while minimizing experiment uncertainty.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Synthetic data generation for machine learning model training for energy theft scenarios using cosimulation

Abstract Technical and non‐technical losses in distribution circuits result in significant economic costs to power utilities. One type of non‐technical loss is energy theft by various means including illegal tapping of feeders, bypassing the meter, and billing fraud. These losses are usually hard to detect, and can remain undetected for long periods of time. Machine learning models have been proven effective in detecting these conditions, but rely on the availability of large, good‐quality training data sets. The problem is exacerbated by the imbalanced nature of data related to these conditions—energy theft, though costly, is very rare. The available data sets generally have very few samples of theft with most of the data pertaining to normal operation. Such data sets are generally not suitable to train machine learning models. In this paper, an overview of energy theft detection techniques, the challenges with their data needs, and the limitations of current techniques to bridge such data limitations is presented. A co‐simulation framework is proposed to generate reliable training data for machine learning algorithms for theft detection. An example scenario is presented and a machine learning model is built to detect certain kinds of energy theft.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Lithium-Ion Battery Diagnostics Using Electrochemical Impedance via Machine-Learning

Diagnosing battery states such as health, state-of-charge, or temperature is crucial for ensuring the safety and reliability of electrochemical energy storage systems. While some states, such as temperature, may be measured using cheap sensors, accurate diagnosis of battery health metrics usually requires time-consuming performance measurements, making them infeasible for use in real-world operation. These health metrics can be measured during lab-testing and then estimated on-line using predictive life models or via state observer algorithms such as Kalman filters, but these predictive methods should be supplemented by actual measurement of battery health whenever possible to ensure reliability. Rapid measurement of battery health may be done by various types of fast diagnostic techniques such as electrochemical impedance spectroscopy (EIS), which can be performed in only a few minutes and require only a fraction of the energy and power needed for a full charge and discharge measurement. But there is a substantial challenge for estimating battery health using EIS data, as EIS is sensitive to cell temperature, state-of-charge, current, and resting time in addition to health. Thus, utilizing EIS data to predict battery capacity requires correcting for all these additional variables, a task that is extremely difficult to handle analytically. This talk utilizes machine-learning methods to estimate the effectiveness of battery capacity prediction from EIS data, leveraging a data set of hundreds of EIS measurements recorded at varying temperature and state-of-charge throughout a 500-day aging study of 32 commercial, large-format NMC-Graphite lithium-ion batteries. Using EIS as input to machine-learning models is complicated by the nonlinear response of impedance to battery health, temperature, and state-of-charge, as well as the collinearity between the impedance response at neighboring frequencies, which can easily lead to overfit models. To train robust models, features from EIS data need to be extracted from the data or some subset of critical frequencies selected. Many approaches for extracting and selecting features from EIS data from electrochemical analysis and machine-learning fields were identified for analysis: using the entire raw spectra; selection of one, two, or many frequencies from the entire spectra; selecting interesting points from the EIS measurement using domain knowledge; fitting EIS with an equivalent-circuit model; calculating statistics on the raw impedance values; and reducing the dimensionality of the data using unsupervised linear (principal component analysis) and non-linear (uniform manifold approximation and projection) methods. These approaches were rigorously compared using a machine-learning pipeline approach, training linear, Gaussian process, and random forest regression models and quantifying performance using cross-validation as well as a held-out test set. An artificial neural network model trained on the raw spectra was also tested. Promising pipelines were fine-tuned via Bayesian hyperparameter optimization using cross-validation loss and training with class-specific weights to counter data set imbalance. The most reliable method for utilizing impedance in this work was the selection of two optimal frequencies through an exhaustive search, resulting in about 2% mean absolute error on test data for both Gaussian process and random forest model architectures. Interrogation of a variety of models reveals critical frequencies of 100 Hz and 103 Hz for this data set, though the optimal set of frequencies is not necessarily intuitive, i.e., the best performing models are not simply those that use impedance at frequencies that have the highest correlation to the relative discharge capacity. The best performing model is an ensemble model, which is able to predict battery capacity with 1.9% mean absolute error for unseen cells using impedance recorded at a variety of temperatures and states-of-charge.

battery↗

Agilent CRADA (Abstract)

The CRADA between Agilent Technologies Inc. and Battelle will focus on five software components as listed below: Prototype 4D Feature Finding functionality with a particular focus on recovering low level features and extending the bottom end dynamic range of IM-MS technology. Compare and contrast developments to current 4D Feature Finding capabilities. Highlight important algorithmic aspects employed. Implement the PNNL saturation correction algorithm. Agilent will give PNNL the needed data file access API and assistance in understanding it implementation and any needed instrumental aspects. Supported high resolution products to include Agilent’s TOF, QTOF and IM-QTOF mass spectrometers. PNNL will then work with Agilent to benchmark performance. Implementation of the PNNL Hadamard de-multiplexing algorithm. Agilent will give provide PNNL the needed date file access API access and as needed assistance in understanding the current Agilent multiplexed IM offering. PNNL will then work with Agilent on benchmark performance. Add ion mobility collision cross sections to existing and new metabolomic libraries for data analysis with Agilent’s informatics program MPP/ID Browser. PNNL will work with Agilent to create a software pipeline that takes data from chemical and metabolic standards and properly formats it for inclusion in MPP accessible libraries, using the collision cross section as a new separation dimension. Improvements of MPP multidimensional matching to identify metabolomic features using multiple characteristics beyond retention time and accurate mass. Most significantly matching will include analyte collision cross section with proposed support for sample fraction or RapidFire cartridge and fragmentation spectra. PNNL will work with Agilent to modify and improve the current MPP analysis pipeline to allow for creating, aligning, and identifying MS features defined by accurate mass, collision cross section and chromatographic retention time. As additional criteria such as fraction or RapidFire cartridge type are supported in the identification process, then they also will become part of the automation workflow. This includes the automation of said system to work with command line program (i.e. not a GUI) sufficient for programmatic execution in a pipeline.

97 MATHEMATICS AND COMPUTING↗

Report on High Energy Arcing Fault Experiments: Experimental Results from Open Box Enclosures

This report documents an experimental program designed to investigate High Energy Arcing Fault (HEAF) phenomena. The experiments focus on providing data to better characterize the arc to improve the prediction of arc energy emitted during a HEAF event. An open box experiment allow for direct observation of the arc, which allows diagnostic instrumentation to record the phenomenological data needed for better characterization of the arc energy source term. The data collected supports characterization of the arc and arc jet, enclosure breach, material loss, and electrical properties. These results will be used to better characterizing the hazard for improvements in fire probabilistic risk assessment (PRA) realism. The experiments were performed at KEMA Labs located in Chalfont, Pennsylvania. The experimental design, setup, and execution were completed by staff from the NRC, the National Institute of Standards and Technology (NIST), Sandia National Laboratories (SNL) and KEMA Labs. In addition, representatives from the Electric Power Research Institute (EPRI) observed some of the experimental setup and execution. The HEAF experiments were performed between August 22, 2020 and September 18, 2020 on near-identical 51 cm (20 in) cube metal boxes suspended from a Unistrut support structure. The three-phase arcing fault was initiated at the ends of the conductors oriented vertically and located at the center of the box. Either aluminum or copper conductors were used for the conductors. The low-voltage experiments used 1 000 volts AC, while the medium-voltage experiments used 6 900 volts AC consistent with other recently completed experiments. Durations of the experiment ranged from 1 s to 5 s with fault currents ranging from 1 kA to 30 kA. Real-time electrical operating conditions, including voltage, current and frequency, were measured during the experiments. Heat fluxes and incident energies were measured with plate thermometers, radiometers, and slug calorimeters at various locations around the electrical enclosures. The experiments were documented with normal and high-speed videography, infrared imaging and photography.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Geospatial Data Platform for All

Spatiotemporal data has evolved in scale due to augmented use in cross-domain applications. Simultaneously, there is substantial growth in the availability of Geographic Information Systems (GIS) data provided by the United States Geological Survey (USGS) along with other federal, state, county, or local agencies through open-data portals and public access APIs. However, data availability does not equate with accessibility. Large-scale analyses and applications require robust, performant data management with co-location of data storage and computing. The insufficiency of data management infrastructure compels researchers to adopt ad hoc project- specific GIS data storage solutions (e.g., copying data to High-Performance computer file systems). As an ad hoc storage strategy does not scale, it hampers cross-domain analyses causing difficulty in data reuse and utilizing existing code bases. Furthermore, GIS data is complex and requires expertise to analyze and manipulate due to its intricate data structures and data-specific projection transformations. Despite the challenges, we recognize that derived GIS data products, e.g., satellite or LIDAR-based images, can be used in downstream applications such as AI by domain, but non-GIS experts. To address the data needs and overcome the challenges, we are working towards a GIS Data Platform focused on efficient data storage, data discovery and access, and an API to enable common workflows. We propose a knowledge-graph (KG) approach for data discovery, whereby datasets are semantically linked to higher- level constructs such as projects and research areas. The semantic data links enable researchers to explore datasets in a top-down approach by specifying relevant and meaningful terms (assists in finding hidden data). An advantage is that the nodes and edges in a knowledge graph create built-in semantic documentation. Deeper spatiotemporal connections between data sources can be encoded via Graph Neural Networks (GNN) (Zhang et al., 2021). The KG approach can be extended to integrate the data itself in a Virtual KG (VKG). Our work will derive inspiration from large-scale VKG efforts that have been undertaken or are currently underway as part of the OpenStreetMap project (Ding et al., 2021). For DOE Data Days, we share the proposed geospatial data platform hybrid (cloud/on-prem) architecture, our work-to-date on storing, retrieving, and transforming LiDAR and raster data relevant to two important NREL use-cases, including the Renewable Energy Potential (reV) Model, and present our proposal for a KG based data discovery engine.

data platform↗

Making a Water Data System Responsive to Information Needs of Decision Makers

Evidence-based environmental management requires data that are sufficient, accessible, useful and used. A mismatch between data, data systems, and data needs for decision making can result in inefficient and inequitable capital investments, resource allocations, environmental protection, hazard mitigation, and quality of life. In this paper, we examine the relationship between data and decision making in environmental management, with a focus on water management. We focus on the concept of decision-driven data systems —data systems that incorporate an assessment of decision-makers' data needs into their design. The aim of the research was to examine the process of translating data into effective decision making by engaging stakeholders in the development of a water data system. Using California's legislative mandate for state agencies to integrate existing water and other environmental data as a case study, we developed and applied a participatory approach to inform data-system design and identify unmet data needs. Using workshops and focused stakeholder meetings, we developed 20 diverse use cases to assess data sources, availability, characteristics, gaps, and other attributes of data used for representative decisions. Federal and state agencies made up about 90% of the data sources, and could readily adapt to a federated data system, our recommended model for the state. The remaining 10% of more-specialized data, central to important decisions across multiple use cases, would require additional investment or incentives to achieve data consistency, interoperability, and compatibility with a federated system. Based on this assessment, we propose a typology of different types of data limitations and gaps described by stakeholders. We also propose technical, governance, and stakeholder engagement evaluation criteria to guide planning and building environmental data systems. Data-system governance involving both producers and users of data was seen as essential to achieving workable standards, stable funding, convenient data availability, resilience to institutional change, and long-term buy-in by stakeholders. Our work provides a replicable lesson for using decision-maker and stakeholder engagement to shape the design of an environmental data system, and inform a technical design that addresses both user and producer needs.

Cantor, Alida↗

Pollution inequality 50 years after the Clean Air Act: the need for hyperlocal data and action

Fifty years ago the Clean Air Act amendments of 1970 were the first major US legislation that authorized regulation of air pollutants, creating National Ambient Air Quality Standards (NAAQSs) to protect public health and the environment. While US air quality has improved, with average PM 2.5 concentrations in 2016 a third of 1981 levels, air pollution remains a major health risk in the US and globally. Moreover, air pollution impacts are still uneven, with the most polluted US communities of 50 years ago still so today. Air pollution “hot spots” result in disproportionate exposure at neighborhood scales within cities, particularly in disadvantaged communities, but an in-depth understanding at these scales is lacking. This policy perspective discusses how trends in sensor technology, spatial data collection, analytics and retrieval are converging to enable the production of hyperlocal air pollution data, and that this needs to be done in a manner that enables marginalized communities to shape decision making.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Nuclear Data to Reduce Uncertainties in Reactor Antineutrino Measurements

The large quantities of antineutrinos produced through the decay of fission fragments in nuclear reactors provide an opportunity to study the properties of these particles and investigate their use in reactor monitoring. The reactor antineutrino spectra are measured using specialized, large area detectors that detect antineutrinos through inverse beta decay, electron elastic scattering, or coherent elastic neutrino nucleus scattering; although, inverse beta decay is the only demonstrated method so far. Reactor monitoring takes advantage of the differences in the antineutrino yield and spectra resulting from uranium and plutonium fission providing an opportunity to estimate the fissile material composition in the reactor. Recent experiments reveal a deviation between the measured and calculated antineutrino flux and spectra (the reactor anomaly) indicating either the existence of yet undiscovered neutrino physics, uncertainties in the reactor source term calculation, incorrect nuclear data, or a combination of all three. To address the nuclear data that impact the antineutrino spectrum calculations and measurements, an international group of over 180 experts in antineutrino physics, reactor analysis, detector development, and nuclear data came together during the Workshop on Nuclear Data for Reactor Antineutrino Measurements (WoNDRAM) to discuss nuclear data needs and achieve concordance on a set of recommended priorities for nuclear data improvements. Three topical sessions focused on the reactor source term, the antineutrino spectrum, and the detector response, provided a forum to gain consensus amongst the participants on the most important data improvements to address two goals: 1) understand the reactor anomaly and 2) improve the ability to monitor reactors using antineutrinos. This report summarizes the outcomes of the workshop discussions and the recommendations for nuclear data efforts that reduce reactor antineutrino measurement uncertainties.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Next Generation System Analysis Model Recently Added Features and Future Plans - Abstract

The Nuclear Waste Policy Act of 1982, as amended (NWPA 1982), established the federal government’s responsibility to accept spent nuclear fuel (SNF) and high-level radioactive waste (HLW) from waste owners and generators for ultimate disposition. SNF generated by the current fleet of commercial nuclear reactors is being stored at the reactor sites in spent fuel pools (SFPs) and in dry independent spent fuel storage installations (ISFSIs). The US Department of Energy Office of Nuclear Energy (DOE-NE) is developing an Integrated Waste Management Program (IWMP) comprising a suite of options and supporting analyses to enable future informed choices. The IWMP is applying integrated waste management system architecture analysis, system engineering, and decision analysis principles to inform potential future decisions regarding potential nuclear waste management system architectures. Architecture analyses of the IWM system are being conducted to support the future deployment of a comprehensive system for managing nuclear waste that considers all major aspects of the back end of the nuclear fuel cycle (i.e., transportation, storage, and disposal). The Next Generation System Analysis Model (NGSAM) is an agent-based simulation software tool designed for the express purpose of modeling the IWM system. NGSAM imports data from the Oak Ridge National Laboratory (ORNL) Unified Database (e.g., historic assembly information, thermal profiles for assembly heat, at-reactor dry storage loadings) to ensure that the simulation initializes with a realistic representation of the state of commercial SNF in the United States. Recent major enhancements that have been implemented into NGSAM since NGSAM was last presented at the WM2019 conference include: • Tracking of railroad escort and buffer car acquisition. • Addition of heavy haul and barge routes for some sites, as well as support for user-defined inter-modal routes. • Updates to the logic that checks the thermal maps prior to package transport. • Addition of an allocation method that predicts when reactor sites will pack assemblies from their pools for dry storage and allocates packages to those reactor sites in the preceding periods, favoring direct transport packages and reducing the number of packages that reactor sites pack for dry storage at their ISFSIs. • Addition of reactor site family operational limits, which are used to limit the number of loads from the pool and from dry storage at a given reactor site per year. • Support has been added for multiple canister loading maps and packages having multiple compatible transportation overpacks. • Updates in the handling of non-commercial fuel, including a new database containing data to support the updates. • Support for repackaging at reactor sites. • Implementing additional output reports or modifying existing reports. • User edits can now be created and edited via the NGSAM website. • Ability to load packages for dry storage at ISF pools. • Same-type package blending at DOE sites. • Support for multi-mode transloading at reactor sites. These new features have improved NGSAM capabilities and/or improve the user experience with the model and will be discussed in more detail. The initial NGSAM requirements for advanced reactor fuels, reprocessing, treatment, and conditioning are preliminary and are described at a high level in this paper: analysts will provide more specific requirements to the NGSAM team in the future. Additionally, there are many data needs associated with modeling advanced reactors in NGSAM, but many of the data or plans are still in progress and/or yet to be fully defined. However, this document describes an initial exploration of the data relevant to this program. Advanced reactor data will likely require revision as concepts evolve and new considerations are made. This is a technical paper that does not take into account contractual limitations or obligations under the Standard Contract for Disposal of Spent Nuclear Fuel and/or High-Level Radioactive Waste (Standard Contract) (10 CFR Part 961). For example, under the provisions of the Standard Contract, spent nuclear fuel in multi-assembly canisters is not an acceptable waste form, absent a mutually agreed to contract amendment. To the extent discussions or recommendations in this paper conflict with the provisions of the Standard Contract, the Standard Contract governs the obligations of the parties, and this paper in no manner supersedes, overrides, or amends the Standard Contract. This paper reflects technical work which could support future decision making by DOE. No inferences should be drawn from this paper regarding future actions by DOE, which are limited both by the terms of the Standard Contract and Congressional appropriations for the Department to fulfill its obligations under the Nuclear Waste Policy Act including licensing and construction of a spent nuclear fuel repository.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

2025 TEM Workshop

The TEM Data Management Workshop will take place on August 26 from 9 a.m. to 12 p.m. MT, and will be held virtually on TEAMS. The primary goal of this workshop is to engage NSUF users and stakeholders in discussions about the data needs for the utilization of AI and ML in the analysis of TEM data. Key topics to be covered include data storage, data sharing, data tagging, metadata inclusion, standardized data formats, data augmentation, and annotated training datasets. Additionally, the workshop will provide valuable insights into resources such as the Nuclear Research Data System (NRDS) for data storage and sharing, as well as open-source codes for data analysis.

Bachhav, Mukesh↗

Southeast Regional CO 2 Utilization and Storage Acceleration Partnership (SECARB-USA): Needs Assessment Framework for Storage Complexes Contributed to EDX (Work Product 2.1.c)

On September 30, 2021, a Needs Assessment Framework for Storage Complexes was completed for the SECARB-USA region by the Southern States Energy Board (SSEB) and The University of Texas at Austin Bureau of Economic Geology (UT-BEG). The Needs Assessment Framework for Storage Complexes documented a region-wide assessment to identify data needed to advance storage projects at sites of relevance to industrial, academic, and government stakeholders. The region-wide assessment addresses the needs of CO2 source, storage, and utilization stakeholders, finance and insurance institutions, state and local government agencies, local stakeholders at prospective storage complexes, environmental non-governmental organizations (NGOs), and others as identified by the Partners. This assessment was tested against various potential storage sites and modified to include site-specific issues, such as surface or pore space rights. The framework was provided to stakeholders for review and then used in other tasks, such as the ML initiative (Subtask 3.4) and storage complex readiness evaluation (Subtask 4.2). In accordance with the SOPO, this assessment satisfied completion of Work Product 2.1.b. The OSTI ID is 3015803, and the DOI link is https://doi.org/10.2172/3015803. On February 28, 2022, SSEB uploaded Work Product 2.1.b to NETL’s Energy Data eXchange (EDX). As such, Work Product 2.1.c is completed as documented below.

42 ENGINEERING↗

Rucio at LSST/Rubin

In this presentation, we will explore the Rucio experience with the Rubin Observatory experiment. Our discussion will cover several key areas: Scalability Tests: Insights into the performance and scalability evaluations of Rucio in the context of Rubin's data needs and what we have learned, especially with many small files. Role in Rubin's Data Curation: Rubin's Data Butler: An overview of how Rucio, along with with Rubin's Data Butler using Hermes-K, which involves message passing through Kafka, is integrated in the Rubin's data curation system. Monitoring and Support: Current status of Rucio and PostgreSQL monitoring and Rucio deployment and support within the Rubin environment. Tape RSE Implementation: Deal with the order of magnitude more files going to tape than HEP. Future Needs: An examination of Rubin's evolving requirements for Rucio services and how we plan to address them.

Lee, Dennis [Fermilab]↗

Second Report of the Nuclear Data Subcommittee of the Nuclear Science Advisory Committee

The central importance of the nuclear data curated by the US Nuclear Data Program (USNDP) for clean energy generation, national security, nonproliferation, medical applications, and space exploration as well as basic science was described in a prior report issued by the DOE/NSF Nuclear Science Advisory Committee subcommittee on Nuclear Data (NSAC-ND) in September 2022. In this report, we present a set of fourteen (14) recommendations that will enhance and advance DOE-NP's stewardship of nuclear data. The first three recommendations focus on the existing core USNDP capabilities, namely: 1) Support the nuclear structure evaluation workforce to improve the currency, consistency, and accessibility of the Evaluated Nuclear Structure Data File (ENSDF); 2) Enhance nuclear reaction evaluation within the USNDP in support of the Evaluated Nuclear Data File (ENDF) through expansion of the workforce and integration of high-performance computing, automation, and machine learning and; 3) Continue atomic mass evaluation in support AME and NUBASE databases. This is followed by eight (8) recommendations representing new cross-cutting initiatives involving both measurement and evaluation to address outstanding nuclear data needs. These new initiatives require a highly trained, diverse workforce that includes personnel with expertise from both inside and outside the nuclear physics community from which evaluators have traditionally been recruited. As such, many of these initiatives are accomplished via a Topical Nuclear Data Collaborations (TNDC). A TNDC is made up of domestic and international stakeholders, subject matter and nuclear data experts, and nuclear data evaluators and features a workforce development plan to ensure that nuclear data evaluators maintain currency in the relevant applications and are seen as equity partners in the endeavor. These include: 1) Establish a coordinated effort to improve evaluation and modeling in nuclear astrophysics for stellar dynamics, multi-messenger astronomy and nucleosynthesis; 2) Initiate a TNDC to develop and maintain nuclear structure evaluation beyond discrete states, including nuclear level densities, photon strength functions and photonuclear data for improved reaction modeling, and exploring nuclear structure at finite temperature; 3) Create a TNDC to perform correlated fission data evaluation, including cross sections, fragment yields, v(A), v(E n ) for nuclear energy, national security, nonproliferation and basic science; 4) From a panel of subject matter experts to establish and annually update a roster of key decay data to nurture its accelerated dissemination including both measurement and evaluation for targeted high-value nuclides for national security, nonproliferation and medical applications; 5) Comprehensive, consistent neutron-induced structure and reaction data for nuclear energy, national security, nonproliferation and planetary nuclear spectroscopy; 6) Charged-particle stopping powers for detector design, space effects and ion beam therapy; 7) High-energy reactions for space exploration and medical nuclide production, and; 8) The creation of an infrastructure for open data and data preservation for use by the entire nuclear physics community. All told, these initiatives require approximately $6.5M increase in NP support of the USNDP in fiscal year 2023 dollars and would require at least 3-5 years to carry out due to the length of time needed to recruit and train new nuclear data researchers. This relatively modest investment would help ensure that the fruits of the nuclear data research carried out by DOE-NP and its collaborators would be brought to bear to address some of the most important needs of our nation and the world. To ensure effective execution of this plan, we present an overview of recruitment, training, and retention goals for the USNDP, the centerpiece of which is a mutually agreed upon code of conduct. Finally, we identify the facility and instrumentation needed to perform the recommended experimental activities. This includes a short review of target fabrication capabilities, reactors, neutron beam, light- and heavy-stable ion, gamma-ray, high-energy and radioactive ion beam facilities. Lastly, a more complete appendix of experimental facilities previously compiled is included with new input provided for 6 facilities.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Investigating Application of LiDAR for Nuclear Power Plants

Many evaluation, assessment, and modeling tasks at nuclear power plants require spatial in-formation; this often requires physical visits to locations within the facility because the 2D or 3D schematics and current models do not contain enough detail or do not capture as-built and real-world conditions. These visits require extensive manual labor for not only the requesting party, but also support groups, such as security. Light Detection and Ranging (LiDAR) mapping is trying to solve that problem by providing very detailed 3D models for low costs. However, the use of these models can be very limited because either component reference information is missing and too costly to add or there is no way to extract specific spatial data needed for other tools. This report outlines two main efforts. First, to reduce the effort of “Tagging” data in large 3D models, a general Application Programming Interface (API) was developed to import a variety of existing plant database information into a 3D-visualization engine. Filters allow the user to have only zone-specific items listed; then, they can simply click and assign the information to a specific spot or component in the 3D model. The second part of the work is the development of an interface for importing pieces from the3D-LiDAR model into other systems needed for modeling and simulation, outlined around fire modeling. This interface allows for the retrieval of item location and boundaries, enabling the auto generation of models for varying tools.

3D Modelling↗

A Deep Learning-Based Workflow for Fast Prediction of 3D State Variables in Geological Carbon Storage: A Dimension Reduction Approach

In this study, we used deep learning techniques, which are a form of artificial intelligence, to create fast and effective models for predicting how fluids flow in underground geological formations. This is important for managing geological carbon storage, a method used to fight climate change by storing carbon dioxide underground. The challenge lies in the complex nature of these underground spaces and the large amount of data needed to accurately simulate them. To overcome these issues, we developed a new workflow that reduces the data’s complexity before training the deep learning model and then reconstructs the predicted results in their original form. We also proposed a unique approach to handle the specific complexities found in 3D saturation fields, a crucial aspect of fluid flow prediction. We tested our method using real-world data from the Gulf of Mexico. Our results show that our approach not only accurately predicts fluid behavior but also significantly reduces computation time. This will greatly improve real-time decision-making and risk assessment in large-scale geological carbon storage operations.

Wang, Hongsheng↗