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At least 73 records · Page 4

COBRA:COMPUTED-TOMOGRAPHY BASED RANDOM-FIELD APPROXIMATION

SF-25-115 COBRA (COmputed-tomography Based Random-field Approximation) is a Python application for generating statistically equivalent random fields from CT-scan imagery. It leverages Karhunen–Loève expansions to model microstructural variability, enabling users to: Preprocess CT scans (filtering and Gaussian transformation); Fit covariance kernels fromempirical data; Solve eigenproblems to obtain KL modes; Sample random fields onsistent with fitted statistics; Postprocess samples back into the physical domain.

Hu, Tianchen↗

Exascale Computing and Data Handling: Challenges and Opportunities for Weather and Climate Prediction

The emergence of exascale computing and artificial intelligence offer tremendous potential to significantly advance Earth system prediction capabilities. However, enormous challenges must be overcome to adapt models and prediction systems to use these new technologies effectively. A 2022 WMO report on exascale computing recommends “urgency in dedicating efforts and attention to disruptions associated with evolving computing technologies that will be increasingly difficult to overcome, threatening continued advancements in weather and climate prediction capabilities.” Further, the explosive growth in data from observations, model and ensemble output, and postprocessing threatens to overwhelm the ability to deliver timely, accurate, and precise information needed for decision-making. Artificial intelligence (AI) offers untapped opportunities to alter how models are developed, observations are processed, and predictions are analyzed and extracted for decision-making. Given the extraordinarily high cost of computing, growing complexity of prediction systems, and increasingly unmanageable amount of data being produced and consumed, these challenges are rapidly becoming too large for any single institution or country to handle. This paper describes key technical and budgetary challenges, identifies gaps and ways to address them, and makes a number of recommendations.

Atmosphere↗

An Alternative Ensemble Streamflow Prediction Approach Using Improved Subseasonal Precipitation Forecasts from the North America Multi-Model Ensemble Phase II

In this article, streamflow forecasting at a subseasonal time scale (10–30 days into the future) is important for various human activities. The ensemble streamflow prediction (ESP) is a widely applied technique for subseasonal streamflow forecasting. However, ESP’s reliance on the randomly resampled historical precipitation limits its predictive capability. Available dynamical subseasonal precipitation forecasts provide an alternative to the randomly resampled precipitation in ESP. Prior studies found the predictive performance of raw subseasonal precipitation forecast is limited in many regions such as the central south of the United States, which raises questions about its effectiveness in assisting streamflow forecasting. To further assess the hydrologic applicability of dynamical subseasonal precipitation forecasts, we test the subseasonal precipitation forecast from North America Multi-Model Ensemble Phase II (NMME-2) at four watersheds in the central south region of the United States. The subseasonal precipitation forecasts are postprocessed with bias correction and spatial disaggregation (BCSD) to correct bias and improve spatial resolution before replacing the randomly resampled precipitation in ESP for streamflow predictions. The performance of the resulting streamflow predictions is benchmarked with ESP. Evaluation is conducted using Kling–Gupta Efficiency (KGE), continuous ranked probability score (CRPS), probability of detection (POD), false alarm ratios (FARs), as well as reliability diagrams. Our results suggest that BCSD-corrected subseasonal precipitation forecasts lead to overall improved streamflow predictions due to added skills in winter and spring. Our results also suggest that BCSD-corrected subseasonal precipitation forecasts lead to improved predictions on the occurrence of high-percentile streamflow values above 75%. Overall, BCSD-corrected subseasonal precipitation has shown promising performance, highlighting its potential broader applications for river and flood forecasting.

54 ENVIRONMENTAL SCIENCES↗

Cadillac CT6 Super Cruise On-road Data

This dataset encompasses about 60 individual drives of a 2019 Cadillac CT6 with Super Cruise in its relevant operational domain covering more than 1,000 miles. Adhering to the limited operational design domain of the investigated version of the Supercruise system, the majority of the data was collected during highway driving. Information collected includes vehicle CAN data as well as Lidar and camera data from a vehicle mounted sensor array. Vehicle CAN data and information on traffic surrounding the Ego-vehicle derived from the sensor array are postprocessed and merged to provide one combined CVS data file per drive. ![cadillac-ct6 image](ct6.png)

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Tesla Model 3 Autopilot On-road Data

This dataset encompasses about 60 individual drives of a 2020 Tesla Model 3 with Autopilot in its relevant operational domain covering more than 1,000 miles. The majority of the data was collected during highway and suburban driving. Information collected includes vehicle CAN data as well as Lidar and camera data from a vehicle mounted sensor array. Vehicle CAN data and information on traffic surrounding the Ego-vehicle derived from the sensor array are postprocessed and merged to provide one combined CVS data file per drive. ![tesla m3 image](tesla-m3.png)

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Machine learning model inputs, outputs, and scripts associated with “Artificial intelligence-guided iterations between observations and modeling significantly improve environmental predictions”

NOTE: The manuscript associated with this data package is currently in review. The data may be revised based on reviewer feedback. Upon manuscript acceptance, this data package will be updated with the final dataset and additional metadata. This data package is associated with the manuscript “Artificial intelligence-guided iterations between observations and modeling significantly improve environmental predictions” (Malhotra et al., in prep). This effort was designed following ICON (integrated, coordinated, open, and networked) principles to facilitate a model-experiment (ModEx) iteration approach, leveraging crowdsourced sampling across the contiguous United States (CONUS). New machine learning models were created every month to guide sampling locations. Data from the resulting samples were used to test and rebuild the machine learning models for the next round of sampling guidance. Associated sediment and water geochemistry and in situ sensor data can be found at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1923689, https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1729719, and https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1603775. This data package is associated with two GitHub repositories found at https://github.com/parallelworks/dynamic-learning-rivers and https://github.com/WHONDRS-Hub/ICON-ModEx_Open_Manuscript. In addition to this readme, this data package also includes two file-level metadata (FLMD) files that describes each file and two data dictionaries (DD) that describe all column/row headers and variable definitions. This data package consists of two main folders (1) dynamic-learning-rivers and (2) ICON-ModEx_Open_Manuscript which contain snapshots of the associated GitHub repositories. The input data, output data, and machine learning models used to guide sampling locations are within dynamic-learning-rivers. The folder is organized into five top-level directories: (1) “input_data” holds the training data for the ML models; (2) “ml_models” holds machine learning (ML) models trained on the data in “input_data”; (3) “examples” contains files for direct experimentation with the machine learning model, including scripts for setting up “hindcast” run; (4) “scripts” contains data preprocessing and postprocessing scripts and intermediate results specific to this data set that bookend the ML workflow; and (5) “output_data” holds the overall results of the ML model on that branch. Each trained ML model resides on its own branch in the repository; this means that inputs and outputs can be different branch-to-branch. There is also one hidden directory “.github/workflows”. This hidden directory contains information for how to run the ML workflow as an end-to-end automated GitHub Action but it is not needed for reusing the ML models archived here. Please see the top-level README.md in the GitHub repository for more details on the automation. The scripts and data used to create figures in the manuscript are within ICON-ModEx_Open_Manuscript. The folder is organized into four folders which contain the scripts, data, and pdf for each figure. Within the “fig-model-score-evolution” folder, there is a folder called “intermediate_branch_data” which contains some intermediate files pulled from dynamic-learning-rivers and reorganized to easily integrate into the workflows. NOTE: THIS FOLDER INCLUDES THE FILES AT THE POINT OF PAPER SUBMISSION. IT WILL BE UPDATED ONCE THE PAPER IS ACCEPTED WITH ANY REVISIONS AND WILL INCLUDE A DD/FLMD AT THAT POINT. We thank the United States Forest Service, Washington Department of Fish and Wildlife, Washington Department of Natural Resources, Cowiche Canyon Conservatory, Washington State Parks and Recreation Commission (Scientific Research Permit #210901), and the Confederated Tribes and Bands of the Yakama Nation for access to field locations where the samples labeled “SSS” were collected. We also thank 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. WHONDRS consortium members were asked to provide any acknowledgments for the collection of samples labeled “CM” and the following is a list of acknowledgments that were submitted with their corresponding Site IDs: (MART) Research activities were conducted in part on the Wind River Experimental Forest within the Gifford Pinchot National Forest; (MP- 100379) Philadelphia is part of Lenapehoking, the ancestral homelands of the Lenape peoples; (MP-102398) Land surveyed is the ancestral homelands of the Nookhose'iinenno (Arapaho), Tsis tsis'tas (Cheyenne), and Nuuchu (Ute); (MP-100749 and MP- 100747) Georgia Coastal Ecosystem LTER, OCE-1832178; (SP-70 and SP-72) Eastern Shoshone, Shoshone-Bannock; (MP- 102944) Funded by Oregon Watershed Enhancement Board. On the traditional lands of the Confederated Tribes of the Siletz, Confederated Tribes of the Grand Rhonde, and the Clatsop-Nehalem Confederated Tribe; (MP- 100607) Holiday Creek is located on the traditional territory of the Monacan Indian Nation; (SP-45) Lafayette Blue Springs State Park; (MP-102420) NSF DEB-2016749; (MP-100019) New Hampshire Agriculture Experiment Station; (SP-35) Rayonier (land owner; https://www.rayonier.com/); (MP- 101276) US Department of Energy, Office of Science, Biological and Environmental Research, Subsurface Biogeochemical Research, Watershed Dynamics and Evolution SFA at ORNL; (MP- 103224) Watershed Dynamics and Evolution SFA at ORNL; (MP- 101584) Traditional lands of the Oceti Sakowin (Dakota, Lakota, Nakoda) and Anishinaabe Peoples.

54 ENVIRONMENTAL SCIENCES↗

Data from: "Towards CONUS-Wide ML-Augmented Conceptually-Interpretable Modeling of Catchment-Scale Precipitation-Storage-Runoff Dynamics"

This data package was generated to support the manuscript “Towards CONUS-Wide Machine Learning-Augmented Conceptually Interpretable Modeling of Catchment-Scale Precipitation-Storage-Runoff Dynamics.” It provides input files, model outputs, plotting data, scripts, notebooks, and documentation used to develop, evaluate, and reproduce Mass-Conserving Perceptron (MCP)-based hydrologic modeling experiments across 513 selected Catchment Attributes and Meteorology for Large-sample Studies in the United States (CAMELS-US) basins. The files are organized by modeling component and analysis purpose, including rainfall–runoff experiments, snow module experiments, coupled hydrologic-snow experiments, Long Short-Term Memory (LSTM) benchmark results, model skill metrics, initialization and epoch records, cell-state normalization files, Akaike Information Criterion (AIC)-based model comparison files, and data used to generate manuscript figures. Tabular files can be opened using standard spreadsheet software or Python/R data-analysis tools. Python scripts, Jupyter notebooks, and selected MATLAB scripts are included for model execution, postprocessing, plotting, and statistical analysis. Quality assurance and quality control were conducted through the source-data selection and modeling workflow. Meteorological forcing, streamflow, and static catchment attributes were derived from the CAMELS-US dataset, and snow water equivalent data were derived from the University of Arizona (UA) Snow Water Equivalent dataset. Selected basins and time periods were screened during the associated research workflow to avoid missing observations or poor-quality cases. Static geospatial features were processed primarily using Quantum Geographic Information System (QGIS) and Geospatial Data Abstraction Library (GDAL) workflows. Additional details are provided in the associated manuscript and documentation.

ESS-DIVE CSV File Formatting Guidelines Reporting ↗

MOOSE-Based Fast Reactor Core Bowing Capabilities: Coupled Structural Mechanics – Thermal Fluids Demonstration and Related Verification Efforts

Under the U.S. Department of Energy Office of Nuclear Energy’s Advanced Modeling and Simulation (NEAMS) Program, an integrated multiphysics approach is being developed to model the core bowing phenomena important to liquid metal-cooled fast reactors. Core bowing is an important passive safety mechanism in liquid metal-cooled fast reactors and involves multiphysics effects including radiation transport, fluid flow, heat transfer, and mechanical response to temperature and flux gradients. Verification and assessment efforts continued on the Multiphysics Object Oriented Simulation Environment (MOOSE) capabilities relevant for modeling thermo-mechanical core bowing behavior. IAEA Verification Problem 4, which was started in FY23, was further examined with MOOSE capabilities to rectify discrepancies observed in previous years when compared to IAEA benchmark participant data. Meshing and postprocessing capabilities in MOOSE were also advanced by other teams and utilized this year. A thermal fluids-structural mechanical coupling demonstration has performed on 7-assemblyand 19-assembly fast reactor assembly configurations using MOOSE. Subchannel capabilities are used to calculate coolant temperature, and heat conduction capabilities calculate duct wall temperature as well as heat transfer through the inter-assembly gap. Structural mechanical capabilities then deform the mesh, accounting for contact between assemblies, according to the temperature gradients calculated by the thermal solvers. Power distributions are imposed rather than calculated to demonstrate different deformations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Updates to USA Structures (Phase 3 Prototype): 2023-2024 Technical Report

The Oak Ridge National Laboratory (ORNL) team has successfully innovated geospatial data feature mapping and postprocessing workflows to support the USA Structures project supported by FEMA. This technical report highlights significant updates, improvements, and innovations for the USA Structures dataset, focusing on nine priority states.

97 MATHEMATICS AND COMPUTING↗

Radioimaging for real-time tracking of high-voltage breakdown

Development of a radioimaging diagnostic for high-voltage component reliability testing and electrical breakdown computational model validation is described. Radioimaging has its roots in radio astronomy, where aperture synthesis (also known as synthesis imaging) has been utilized for decades to image radio sources far from Earth. Radioimaging as described herein, in contrast, seeks to image radio sources in close proximity to its receivers (i.e., in a laboratory environment). Here it is shown that corona discharge, a non-destructive precursor to catastrophic (thermal) arc discharge, electromagnetically radiates strongly within a 250 kHz – 2.5 GHz bandwidth, and is readily detected and located by postprocessing the received radio signals. The ability of radioimaging to detect both corona and arc discharge (grouped together herein as high voltage breakdown or HVB) makes it a valuable tool for 100% HVB detection in materials, components, and devices, and has the ability to indicate electrical weakness (via corona detection) prior to a destructive arc discharge event. Radioimaging enables HVB to be located both internal and external to dielectric components under test in near-real-time, with multiple and/or extended HVB events located simultaneously. In contrast, existing non-destructive diagnostics (at the time of this writing) either indicate electrical breakdown without resolving failure locations (e.g., current, voltage, and chemical measurements), locate external HVB (e.g., high-speed optical and ultraviolet (UV) measurements or photography), or locate both external and internal HVB but with low fidelity (e.g., a single HVB source can be located by existing time-of-arrival (TOA) UHF or acoustic emissions). Radioimaging instead creates a sequence of high-fidelity images similar to an optical high-speed camera but at radiofrequencies (RF), and is not limited to two-dimensions. Moreover, radioimaging has already served one internal and two external industry customers, the results of which are detailed in this report. The radioimaging results described herein were part of a three-year effort funded by the Sandia Lab Directed Research and Development (LDRD) program within the Radiation, Electromagnetic, High Energy Density Science (REHEDS) investment area.

47 OTHER INSTRUMENTATION↗

Updates to the Hanford Soil Inventory Model (SIM Version 2) for FY 2023

The purpose of this environmental calculation file (ECF) is to document the updates made to the Soil Inventory Model version 2.1 (SIM-v2.1) (ECF-HANFORD-21-0073, Updates to the Hanford Soil Inventory Model (SIM Version 2) for FY 2021) in FY 2023. These updates to SIM-v2.1 are referred to as the SIM-v2.2 version. The following updates have been made: • Include inventory estimate for a new analyte • hexavalent chromium (Cr(VI)), separate from total chromium inventory • Revise the inventory discharged to the 216-U-10 and 216-T-4 Pond systems based on partitioning of waste streams discharges over time and space among influent ditches and ponds • Enhance the preprocessing and postprocessing of the input and output files Note that the methodology for estimating Cr(VI) inventories is based on ECF-200W-23-0040, Recommendations for Updating Liquid Discharged Inventory and Transport Modeling Parameters for Cumulative Impacts Evaluation of Hexavalent Chromium in the 200 West Area while the revision of inventory discharged to the 216-U-10 and 216-T-4 Pond systems is based on ECF-HANFORD-19-0032, Distribution of Infiltration in the 216-U-10, 216-B-3 Pond, and 216-T-4 Pond Systems 1944-1997.

54 ENVIRONMENTAL SCIENCES↗

Machine Learning for Automated Weld Quality Monitoring and Control

Resistance Spot Welding (RSW) is a critical process in the automotive industry, valued for its cost-effectiveness, short cycle time, and robustness. However, achieving consistent high-quality joints remains challenging due to the complex interplay of various factors, like materials, processes, and manufacturing uncertainties, etc. Under the collaborative project between Oak Ridge National Laboratory (ORNL) and General Motors (GM), we have developed a robust and expansible machine learning (ML) framework aimed at enhancing quality control in RSW. By harnessing the power of machine learning, we have developed the ability to ensure every aspect of the welding process, from the initial process design stage to the final weld joint quality. The framework operates by analyzing a variety of data streams, including in-line process signals, process parameters, materials, and postprocessed weld joint data. Through this analysis, the models have been trained to detect deviations from optimal quality standards, leveraging their ability to identify signature data patterns and anomalies within in-line signals and construct complex correlations between these signals and weld quality parameters. Meanwhile, the machine learning framework is designed to adapt to a variety of materials, including high strength steels and aluminum alloys, etc. Its flexible architecture facilitates the incorporation of diverse data sources and features, enabling precise modeling and prediction across a broad range of material properties and weld quality variables. The expansible ML frameworks represent a promising transformation in weld quality monitoring and control, empowering industry to achieve high levels of efficiency, consistency, and reliability in manufacturing.

99 GENERAL AND MISCELLANEOUS↗

Machine Learning for Automated Weld Quality Monitoring and Control

Resistance Spot Welding (RSW) is a critical process in the automotive industry, valued for its cost-effectiveness, short cycle time, and robustness. However, achieving consistent high-quality joints remains challenging due to the complex interplay of various factors, like materials, processes, and manufacturing uncertainties, etc. Under the collaborative project between Oak Ridge National Laboratory (ORNL) and General Motors (GM), we have developed a robust and expansible machine learning (ML) framework aimed at enhancing quality control in RSW. By harnessing the power of machine learning, we have developed the ability to ensure every aspect of the welding process, from the initial process design stage to the final weld joint quality. The framework operates by analyzing a variety of data streams, including in-line process signals, process parameters, materials, and postprocessed weld joint data. Through this analysis, the models have been trained to detect deviations from optimal quality standards, leveraging their ability to identify signature data patterns and anomalies within in-line signals and construct complex correlations between these signals and weld quality parameters. Meanwhile, the machine learning framework is designed to adapt to a variety of materials, including high strength steels and aluminum alloys, etc. Its flexible architecture facilitates the incorporation of diverse data sources and features, enabling precise modeling and prediction across a broad range of material properties and weld quality variables. The expansible ML frameworks represent a promising transformation in weld quality monitoring and control, empowering industry to achieve high levels of efficiency, consistency, and reliability in manufacturing.

42 ENGINEERING↗

HFIR Activity Workbook Generator (HAWK) User Guide

The HFIR Activity WorkbooK generator (HAWK) is a Python code that automates and streamlines the activity calculation of samples after irradiation in the High Flux Isotope Reactor (HFIR). HAWK’s results provide estimates of the activity and nuclide inventory of irradiated specimens before they are moved to hot cell facilities, where they undergo post-irradiation examination. The samples’ activity results guide the packing of shipping containers and inform the accountable inventories for the hot cell facilities. The toolkit was originally developed by Charles Daily, a former R&D staff member at Oak Ridge National Laboratory (ORNL). As of May 2025, HAWK is developed by the Radiation Transport & HPC Methods Group (Nuclear Energy and Fuel Cycle Division) at ORNL. Figure 1 presents HAWK’s workflow. To use HAWK, users need to: 1. Develop an Excel input workbook (i.e., XLSX extension) containing data from the experiment’s materials, irradiation history (cycles), and irradiation positions. 2. Make minor edits to an existing template JSON file (i.e., auxiliary_data.JSON) and to the Python driver. The driver sets the necessary environment variables, defines the material compositions, and ultimately calls HAWK. Once configured, HAWK runs the Oak Ridge Isotope Generation code (ORIGEN) to calculate the masses, activities, and heat load at the end of irradiation for each isotope in the specimen. ORIGEN is part of SCALE, ORNL’s in-house computational tool for performing nuclear safety and design calculations. Following this step, HAWK postprocesses the results and generates three output workbooks summarizing the activity calculations.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Quantum Multiple Eigenvalue Gaussian filtered Search: an efficient and versatile quantum phase estimation method

Quantum phase estimation is one of the most powerful quantum primitives. This work proposes a new approach for the problem of multiple eigenvalue estimation: Quantum Multiple Eigenvalue Gaussian filtered Search (QMEGS). QMEGS leverages the Hadamard test circuit structure and only requires simple classical postprocessing. QMEGS is the first algorithm to simultaneously satisfy the following two properties: (1) It can achieve the Heisenberg-limited scaling without relying on any spectral gap assumption. (2) With a positive energy gap and additional assumptions on the initial state, QMEGS can estimate all dominant eigenvalues to ϵ accuracy utilizing a significantly reduced circuit depth compared to the standard quantum phase estimation algorithm. In the most favorable scenario, the maximal runtime can be reduced to as low as log(1/ϵ). This implies that QMEGS serves as an efficient and versatile approach, achieving the best-known results for both gapped and gapless systems. Numerical results validate the efficiency of our proposed algorithm in various regimes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Predictive Modeling of NOx Emissions from Lean Direct Injection of Hydrogen and Hydrogen/Natural Gas Blends Using Flame Imaging and Machine Learning

This research paper explores the use of machine learning to relate images of flame structure and luminosity to measured NOx emissions. Images of reactions produced by 16 aero-engine derived injectors for a ground-based turbine operated on a range of fuel compositions, air pressure drops, preheat temperatures and adiabatic flame temperatures were captured and postprocessed. The experimental investigations were conducted under atmospheric conditions, capturing CO, NO and NOx emissions data and OH* chemiluminescence images from 27 test conditions. The injector geometry and test conditions were based on a statistically designed test plan. These results were first analyzed using the traditional analysis approach of analysis of variance (ANOVA). The statistically based test plan yielded 432 data points, leading to a correlation for NOx emissions as a function of injector geometry, test conditions and imaging responses, with 70.2% accuracy. As an alternative approach to predicting emissions using imaging diagnostics as well as injector geometry and test conditions, a random forest machine learning algorithm was also applied to the data and was able to achieve an accuracy of 82.6%. This study offers insights into the factors influencing emissions in ground-based turbines while emphasizing the potential of machine learning algorithms in constructing predictive models for complex systems.

08 HYDROGEN↗