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At least 631 records · Page 35

Historical Data Analysis Supporting the Data Quality Objectives for the INL Site Environmental Soil Monitoring Program

This document represents the initial evaluation and soil monitoring proposed by Battelle Energy Alliance, LLC (BEA) in 2015. The evaluation included analyses of historical soil monitoring data and soil inventories, current emission estimates, and modeled potential deposition/accumulation patterns. The initially proposed monitoring included a 5-year rotation of in-situ gamma measurements augmented by soil sampling with laboratory analyses near each major active and some inactive facilities. It also proposed rotational in-situ gamma measurements and soil sampling at two centrally located onsite air monitoring locations coinciding with sampling at the traditional offsite soil monitoring locations. The chosen alternative includes only physical soil sampling with laboratory analysis and only at the Radioactive Waste Management Complex (RWMC), the two air monitors and the offsite locations as documented in Data Quality Objectives Supporting the Environmental Soil Monitoring Program for the Idaho National Laboratory (INL) Site, INL/EXT-15-34909, Revision 0, February 2016. The data and evaluations in this document are valid for comparisons with future soil data that may be collected in many INL site locations.

54 ENVIRONMENTAL SCIENCES↗

Advanced Data Center Energy Opportunities: Cloud and Infrastructure CoP - Data Center Energy and Efficiency with AI Adoption

The NLR portion of the "Cloud & Infrastructure CoP - Data Center Energy and Efficiency with AI Adoption" web meeting will cover data center locations, energy use and load growth, best practices, performance metrics, transition to direct liquid cooled data center equipment, and NLR's approach to optimizing data center.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Editorial: Sorption processes in nuclear waste management: data knowledge management and new methodologies for data acquisition/prediction

A fundamental approach to Nuclear Waste Repository research involves the collection of experimental data in a laboratory setting, development of empirical and/or mechanistic numerical models representing those observations, and application of these models (or Reduced Order Models) into reactive transport and performance assessment models as predictive tools for informing society of impacts and risks associated with nuclear waste repository scenarios (Stevens et al., 2020). Therefore, the assimilation and interpretation of experimental data must take advantage of both new data and the rich historical data available in the literature and apply novel modeling approaches to improve predictive tools, particularly from the standpoint of uncertainty quantification, for nuclear waste repository performance assessment (Zavarin et al., 2022).

sorption↗

Nuclear Data Sheets for A = 248

Detailed level schemes, decay schemes, and the experimental data on which they are based are presented for all nuclei with mass number A=248. The experimental reaction and decay data are evaluated; inconsistencies and discrepancies are noted; and adopted values are given for various level properties (including spin and parity, halflife, and configuration), γ properties (including energy, intensity, and multipole character) and α properties (including energy, intensity, and hindrance factor). This evaluation replaces the A=248 evaluation published by A. Akovali in Nuclear Data Sheets 87, 249 (1999)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Data for Autonomous Transportation Awareness: Data Exchange Use Cases, Standards, and Barriers

This report examines the critical data exchanges between automated vehicle (AV) service providers and the cities and municipalities they serve. It assists municipal authorities in navigating the often complex and real-time digital data exchanges needed to support AV mobility services, with emphasis in three areas: (1) critical safety data for broad-area situational awareness of hazards typically associated emergency dispatch or roadway work zones; (2) performance metrics of AV services that inform the quantity, quality, spatial extents, and impact on the roadway network; and (3) regulatory and policy information, particularly dynamic information that governs how AV services interact with the roadway network, with emphasis on curb space. The report reviews existing practices and emerging protocols and standards and identifies key gaps to address moving forward.

33 ADVANCED PROPULSION SYSTEMS↗

Livewire Data Platform: A Catalog of Transportation and Mobility Data

A two-page fact sheet on the capabilities and core services of the Livewire Data Platform, a growing catalog of transportation and mobility-related data that empowers researchers and community planners to easily and securely share and preserve data that support projects and decision making.

47 OTHER INSTRUMENTATION↗

Scalable subsurface inverse modeling of huge data sets with an application to tracer concentration breakthrough data from magnetic resonance imaging

When characterizing subsurface properties is crucial for reliable and cost-effective groundwater supply management and contaminant remediation. With recent advances in sensor technology, large volumes of hydro-geophysical and geochemical data can be obtained to achieve high-resolution images of subsurface properties. However, characterization with such a large amount of information requires prohibitive computational costs associated with “big data” processing and numerous large-scale numerical simulations. To tackle such difficulties, the Principal Component Geostatistical Approach (PCGA) has been proposed as a “Jacobian-free” inversion method that requires much smaller forward simulation runs for each iteration than the number of unknown parameters and measurements needed in the traditional inversion methods. PCGA can be conveniently linked to any multi-physics simulation software with independent parallel executions. In our paper, we extend PCGA to handle a large number of measurements (e.g. 106 or more) by constructing a fast preconditioner whose computational cost scales linearly with the data size. For illustration, we characterize the heterogeneous hydraulic conductivity (K) distribution in a laboratory-scale 3-D sand box using about 6 million transient tracer concentration measurements obtained using magnetic resonance imaging. Since each individual observation has little information on the K distribution, the data was compressed by the zero-th temporal moment of breakthrough curves, which is equivalent to the mean travel time under the experimental setting. Moreover, only about 2,000 forward simulations in total were required to obtain the best estimate with corresponding estimation uncertainty, and the estimated K field captured key patterns of the original packing design, showing the efficiency and effectiveness of the proposed method. This article is protected by copyright. All rights reserved.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

The creation of a comprehensive metocean data set for offshore wind turbine simulations: Comprehensive metocean data set

A database of meteorological and ocean conditions is presented for use in offshore wind energy research and design. The original data are from 23 ocean sites around the USA and were obtained from the National Data Buoy Center run by the National Oceanic and Atmospheric Administration. The data are presented in a processed form that includes the variables of interest for offshore wind energy design: wind speed, significant wave height, wave peak-spectral period, wind direction and wave direction. For each site, a binning process is conducted to create conditional probability functions for each of these variables. The sites are then grouped according to geographic location and combined to create three representative sites, including a West Coast site, an East Coast site and a Gulf of Mexico site. Both the processed data and the probability distribution parameters for the individual and representative sites are being hosted on a publicly available domain by the National Renewable Energy Laboratory, with the intent of providing a standard basis of comparison for meteorological and ocean conditions for offshore wind energy research worldwide.

17 WIND ENERGY↗

Improved zircon fission-track annealing model based on reevaluation of annealing data

The thermal recovery (annealing) of mineral structure modified by the passage of fission fragments has long been studied by the etching technique. In minerals like apatite and zircon, the annealing kinetics are fairly well constrained from the hour to the million-year timescale and have been described by empirical and semi-empirical equations. On the other hand, laboratory experiments, in which ion beams interact with minerals and synthetic ceramics, have shown that there is a threshold temperature beyond which thermal recovery impedes ion-induced amorphization. In this work, it is assumed that this behavior can be extended to the annealing of fission tracks in minerals. It is proposed that there is a threshold temperature, T0, beyond which fission tracks are erased within a time t0, which is independent of the current state of lattice deformation. This implies that iso-annealing curves should converge to a fanning point in the Arrhenius pseudo-space (ln t vs. 1/T). Based on the proposed hypothesis, and laboratory and geological data, annealing equations are reevaluated. The geological timescale estimations of a model arising from this study are discussed through the calculation of partial annealing zone and closure temperature, and comparison with geological sample constraints found in literature. It is shown that the predictions given by this model are closer to field data on closure temperature and partial annealing zone than predictions given by previous models.

annealing↗

Data-driven wind turbine wake modeling via probabilistic machine learning

Wind farm design primarily depends on the variability of the wind turbine wake flows to the atmospheric wind conditions and the interaction between wakes. Physics-based models that capture the wake flow field with high-fidelity are computationally very expensive to perform layout optimization of wind farms, and, thus, data-driven reduced-order models can represent an efficient alternative for simulating wind farms. In this work, we use real-world light detection and ranging (LiDAR) measurements of wind-turbine wakes to construct predictive surrogate models using machine learning. Specifically, we first demonstrate the use of deep autoencoders to find a low-dimensional latent space that gives a computationally tractable approximation of the wake LiDAR measurements. Then, we learn the mapping between the parameter space and the (latent space) wake flow fields using a deep neural network. Additionally, we also demonstrate the use of a probabilistic machine learning technique, namely, Gaussian process modeling, to learn the parameter-space-latent-space mapping in addition to the epistemic and aleatoric uncertainty in the data. Finally, to cope with training large datasets, we demonstrate the use of variational Gaussian process models that provide a tractable alternative to the conventional Gaussian process models for large datasets. Furthermore, we introduce the use of active learning to adaptively build and improve a conventional Gaussian process model predictive capability. Overall, we find that our approach provides accurate approximations of the wind-turbine wake flow field that can be queried at an orders-of-magnitude cheaper cost than those generated with high-fidelity physics-based simulations.

Deep neural networks↗

The Electrolyte Genome project: A big data approach in battery materials discovery

We present a high-throughput infrastructure for the automated calculation of molecular properties with a focus on battery electrolytes. The infrastructure is largely open-source and handles both practical aspects (input file generation, output file parsing, and information management) as well as more complex problems (structure matching, salt complex generation, and failure recovery). Using this infrastructure, we have computed the ionization potential (IP) and electron affinities (EA) of 4830 molecules relevant to battery electrolytes (encompassing almost 55,000 quantum mechanics calculations) at the B3LYP/6-31+G(*) level. We describe automated workflows for computing redox potential, dissociation constant, and salt-molecule binding complex structure generation. We present routines for automatic recovery from calculation errors, which brings the failure rate from 9.2% to 0.8% for the QChem DFT code. Automated algorithms to check duplication between two arbitrary molecules and structures are described. We present benchmark data on basis sets and functionals on the G2-97 test set; one finding is that a IP/EA calculation method that combines PBE geometry optimization and B3LYP energy evaluation requires less computational cost and yields nearly identical results as compared to a full B3LYP calculation, and could be suitable for the calculation of large molecules. Our data indicates that among the 8 functionals tested, XYGJ-OS and B3LYP are the two best functionals to predict IP/EA with an RMSE of 0.12 and 0.27 eV, respectively. Application of our automated workflow to a large set of quinoxaline derivative molecules shows that functional group effect and substitution position effect can be separated for IP/EA of quinoxaline derivatives, and the most sensitive position is different for IP and EA. Published by Elsevier B.V

Battery↗

Quantifying uncertainty in material damage from vibrational data

The response of a vibrating beam to a force depends on many physical parameters including those determined by material properties. Damage caused by fatigue or cracks results in local reductions in stiffness parameters and may drastically alter the response of the beam. Data obtained from the vibrating beam are often subject to uncertainties and/or errors typically modeled using probability densities. The goal of this paper is to estimate and quantify the uncertainty in damage modeled as a local reduction in stiffness using uncertain data. We present various frameworks and methods for solving this parameter determination problem. We also describe a mathematical analysis to determine and compute useful output data for each method. We apply the various methods in a specified sequence that allows us to interface the various inputs and outputs of these methods in order to enhance the inferences drawn from the numerical results obtained from each method. Numerical results are presented using both simulated and experimentally obtained data from physically damaged beams.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Optimizing checkpoint data placement with guaranteed burst buffer endurance in large-scale hierarchical storage systems

Non-volatile devices, such as SSDs, will be an integral part of the deepening storage hierarchy on large-scale HPC systems. These devices can be on the compute nodes as part of a distributed burst buffer service or they can be external. Wherever they are located in the hierarchy, one critical design issue is the SSD endurance under the write-heavy workloads, such as the checkpoint I/O for scientific applications. For these environments, it is widely assumed that checkpoint operations can occur once every 60 min and for each checkpoint step as much as half of the system memory can be written out. Unfortunately, for large-scale HPC applications, the burst buffer SSDs can be worn out much more quickly given the extensive amount of data written at every checkpoint step. One possible solution is to control the amount of data written by reducing the checkpoint frequency. However, a direct effect caused by reduced checkpoint frequency is the increased vulnerability window of system failures and therefore potentially wasted computation time, especially for large-scale compute jobs.

Computer Science↗

Nuclear Data Sheets for A=258☆

Spectroscopic data for A=258 nuclides have been updated and re-evaluated, superseding the data presented in the previous evaluation 2001Ak11 published by Y.A. Akovali. The excited state data for A=258 nuclei are largely unknown. With the exception of three low-energy gamma rays in {sup 258}Db from {sup 262}Bh α decay, no other gamma-ray data are available for A=258 nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Nuclear Data Sheets for A=217

The evaluated spectroscopic data are presented in this paper for 12 known nuclides with A=217 (Tl, Pb, Bi, Po, At, Rn, Fr, Ra, Ac, Th, Pa, U). For 217Tl, 217Pb, 217Pa, and 217U nuclei, only information on the ground state is available. Levels in 217 Bi are known only from isomer decay following fragmentation reaction and those in 217 At and 217 Rn only from the α decay of 221 Fr and 221 Ra, respectively. High spin levels in 217 Ra are mainly from 1987SuZY and 2011MuZZ which are a lab report and thesis, respectively. Due to differences between these studies, further experimental study is needed to firmly establish the level scheme. This evaluation was carried out as part of a joint IAEA-ICTP workshop for Nuclear Structure and Decay Data, organized and hosted by the IAEA, Vienna and ICTP, Trieste, Aug 22 to Sept 2 2016. The evaluation work was coordinated by E.A. McCutchan (BNL). Finally, this work supersedes the previous previous A=217 evaluation (2003Ak06) by Y.A. Akovali.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗