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Code Coverage Status of the ARC Code RCT

The Argonne Reactor Code (ARC) software system supports users in their fast reactor design goals by providing neutronic, thermal-hydraulic, and structural analysis capabilities. REBUS plays a pivotal role in the ARC system as the primary fuel cycle analysis capability for fast reactor problems. Over its 60 year history, ARC software usage with REBUS has been applied to numerous fast and thermal spectrum reactor analysis projects with good to excellent comparison against experiments. The RCT code is a later addition and uses the REBUS restart files to define its input. The RCT code was built to provide pin depletion details on EBR-II models and thus many features of RCT were specifically tailored to the needs of EBR-II models. Additional approximations were invoked which are likely only valid for the EBR-II reactor and the particular fuel management that was done for it. The purpose of the present work is to identify a set of test problems for RCT and assess the code coverage for those test problems. The goal is to document what parts of the existing RCT code are touched by the set of test problems and which are not. Because no detailed verification work has been done on RCT, the existing regression testing suite was chosen for the code coverage assessment. The code coverage analysis of RCT was performed with the Code Coverage Tool of the Intel Fortran compiler which requires modifications to the compilation of RCT. The detailed coverage tables are given for each part of RCT. As will be discussed and shown, some parts of the RCT capability that are known to be used by the EBR-II analysis work are not tested by the regression testing suite. These aspects should be resolved before major source code changes are taken for the RCT software. Because REBUS and DIF3D are not subroutines of RCT, the coverage changes in both of those codes is not altered by RCT. The same is true for all of the modules of DIF3D that are used by RCT such as SYSLIB and SEGLIB.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Package Data for CERF-Data Centers

This dataset contains sample input 100m resolution raster files for running the CERF-DC python package (see https://github.com/IMMM-SFA/cerf_data_centers) at the state level across the CONUS. Due to data availability constraints, some of the items included in this dataset are proxies or assumptions for siting factors used in the model. These are individually noted in the item descriptions and can be exchanged with more detailed information upon availability. Data Descriptions The following raster files are included in the data download: state_siting_region.tif — State areas identified by state FIPS code composite_siting_suitability.tif — Value of 1 indicates suitable siting location, 0 otherwise. The following areas are excluded from siting: Areas within 300m of a federal airport runway Waterbodies Areas with slope >16% Areas susceptible to sinkholes High coastal or inland flood risk areas Local, state, and federal parks, leisure areas, and cemeteries Areas >2 km away from electric substations Areas >5 km away from a municipal water supplier service area Areas >2 km away from high-speed fiber provider service territory Protected Areas Database of the United States (PAD-US) areas Railroads, major roadways, and minor roadways Military areas and training grounds Developed lands Areas >0.8 km (0.5 miles) from developed lands land_value_dollar_per_sqft.tif — USD per square foot (sqft) derived from USDA $/acre land cost personal_property_tax_rate.tif — Personal property tax rate by state. Uses an assumed 0.0125 personal property tax rate for states with personal property tax, 0 for states without personal property tax. real_property_tax_rate.tif — Real property tax rate. Based on county level residential real estate property tax rates. sales_tax_rate.tif — Sales tax rate by state. mechanical_cooling_fraction.tif — Fraction of year (values between 0 and 1, inclusive) that the data center would be cooled through mechanical processes based on local water stress and humidity levels. water_cooling_fraction.tif — Fraction of year (values between 0 and 1, inclusive) that the data center would be cooled through evaporative (water cooled) processes based on local water stress and humidity levels. distance_to_substation.tif — Distance to nearest substation in hundreds of meters (i.e., value of 1 equals a distance of 100m). Offshore areas have a value of 0. industrial_electricity_rates_dollar_per_kwh.tif — USD/kWh industrial electricity rates. Represents the average industrial rate across all utilities that operate within a given county. Values are derived from the US Utility Rate Database. commercial_electricity_rates_dollar_per_kwh.tif — USD/kWh commercial electricity rates. Represents the average commercial rate across all utilities that operate within a given county. Values are derived from the US Utility Rate Database. data_center_market_locations.tif — Grid cells with positive values represent the centroid of existing data center market clusters. The value of non-zero grid cells represents the number of data centers in the market cluster. All other grid cells have a value of 0. Geospatial Metadata CRS: Albers Equal Area Conic (ESRI:102003) Extent: -2415585.0000000023283064,-1441981.2605773280374706 : 2384414.9999999976716936,1708018.7394226719625294 Dimensions: X: 48000 Y: 31500 Bands: 1 Origin: -2415585.0000000023283064,1708018.7394226719625294 Pixel Size: 100,-100 Acknowledgment IM3 is a multi-institutional effort led by Pacific Northwest National Laboratory and supported by the U.S. Department of Energy's Office of Science as part of research in MultiSector Dynamics, Earth and Environmental Systems Modeling Program. License This data is made available under a CCBY4.0 License Disclaimer This material was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor the United States Department of Energy, nor the Contractor, nor any or their employees, nor any jurisdiction or organization that has cooperated in the development of these materials, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness or any information, apparatus, product, software, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof, or Battelle Memorial Institute. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. PACIFIC NORTHWEST NATIONAL LABORATORYoperated byBATTELLEfor theUNITED STATES DEPARTMENT OF ENERGYunder Contract DE-AC05-76RL01830

Mongird, Kendall↗

Package Data for CERF-Data Centers

This dataset contains sample input 100m resolution raster files for running the CERF-DC python package (see https://github.com/IMMM-SFA/cerf_data_centers) at the state level across the CONUS. Due to data availability constraints, some of the items included in this dataset are proxies or assumptions for siting factors used in the model. These are individually noted in the item descriptions and can be exchanged with more detailed information upon availability. Data Descriptions The following raster files are included in the data download: state_siting_region.tif — State areas identified by state FIPS code composite_siting_suitability.tif — Value of 1 indicates suitable siting location, 0 otherwise. The following areas are excluded from siting: Areas within 300 m of a federal airport runway or within an airport area boundary Waterbodies Areas with slope >16% Areas susceptible to sinkholes High coastal or inland flood risk areas Local, state, and federal parks, leisure areas, and cemeteries Areas >2 km away from electric substations Areas >5 km away from a municipal water supplier service area Areas >2 km away from high-speed fiber provider service territory USGS Protected Areas Database of the United States (PAD-US) GAP status 1, 2, or 3 areas US National Parks Wetlands USFWS critical habitats BIA land areas Railroads, major roadways, and minor roadways Military areas and training grounds NLCD developed lands Areas >0.8 km (0.5 miles) from NLCD developed lands land_value_dollar_per_sqft.tif — USD per square foot (sqft) derived from USDA $/acre land cost personal_property_tax_rate.tif — Personal property tax rate by state. Uses an assumed 0.0125 personal property tax rate for states with personal property tax, 0 for states without personal property tax. real_property_tax_rate.tif — Real property tax rate. Based on county level residential real estate property tax rates. sales_tax_rate.tif — Sales tax rate by state. mechanical_cooling_fraction.tif — Fraction of year (values between 0 and 1, inclusive) that the data center would be cooled through mechanical processes based on local water stress and humidity levels. water_cooling_fraction.tif — Fraction of year (values between 0 and 1, inclusive) that the data center would be cooled through evaporative (water cooled) processes based on local water stress and humidity levels. distance_to_substation.tif — Distance to nearest substation in hundreds of meters (i.e., value of 1 equals a distance of 100m). Offshore areas have a value of 0. industrial_electricity_rates_dollar_per_kwh.tif — USD/kWh industrial electricity rates. Represents the average industrial rate across all utilities that operate within a given county. Values are derived from the US Utility Rate Database. commercial_electricity_rates_dollar_per_kwh.tif — USD/kWh commercial electricity rates. Represents the average commercial rate across all utilities that operate within a given county. Values are derived from the US Utility Rate Database. data_center_market_locations.tif — Grid cells with positive values represent the centroid of existing data center market clusters. The value of non-zero grid cells represents the number of data centers in the market cluster. All other grid cells have a value of 0. Geospatial Metadata CRS: Albers Equal Area Conic (ESRI:102003) Extent: -2415585.0000000023283064,-1441981.2605773280374706 : 2384414.9999999976716936,1708018.7394226719625294 Dimensions: X: 48000 Y: 31500 Bands: 1 Origin: -2415585.0000000023283064,1708018.7394226719625294 Pixel Size: 100,-100 Acknowledgment IM3 is a multi-institutional effort led by Pacific Northwest National Laboratory and supported by the U.S. Department of Energy's Office of Science as part of research in MultiSector Dynamics, Earth and Environmental Systems Modeling Program. License This data is made available under a CCBY4.0 License Disclaimer This material was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor the United States Department of Energy, nor the Contractor, nor any or their employees, nor any jurisdiction or organization that has cooperated in the development of these materials, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness or any information, apparatus, product, software, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof, or Battelle Memorial Institute. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. PACIFIC NORTHWEST NATIONAL LABORATORYoperated byBATTELLEfor theUNITED STATES DEPARTMENT OF ENERGYunder Contract DE-AC05-76RL01830

Mongird, Kendall↗

Data, model inputs, and analysis scripts associated with a manuscript on stream intermittency controls across spatial scales in Pacific Northwest watersheds

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 "Hydroclimatic Memory and Watershed Template Shape Stream Intermittency: Multi-scale Attribution Using Process-based Simulation and Explainable ML" by Niroula et al. (2026), submitted to Water Resources Research (WRR). The study investigates the dominant controls on stream intermittency across local, reach, and watershed scales using a coupled process-based simulation and explainable machine-learning framework. Long-term daily simulations from the Advanced Terrestrial Simulator (ATS) were used to generate wetness states and ponded-depth responses over river-corridor cells. These ATS outputs were then aggregated across scales and used to train XGBoost (eXtreme Gradient Boosting) models. SHAP (SHapley Additive exPlanations) was applied to quantify the relative importance of hydroclimatic forcings, watershed template attributes, and antecedent-memory effects in shaping intermittency behavior. The analysis is carried out for three contrasting Pacific Northwest watersheds: Oak Creek (OCW), American River Watershed (ARW), and H.J. Andrews (HJA). Across these testbeds, the package contains ATS-ready watershed inputs, ATS run configuration and selected output files, model-evaluation data products, intermittency-analysis datasets, machine-learning target-feature tables, SHAP outputs, and notebooks used to organize, analyze, and visualize results. At a high level, the package documents a workflow in which ATS provides the physically based simulation backbone and explainable machine learning is used as a post-processing attribution tool. The contents are intended to support interpretation of the manuscript figures and results, provide context for how intermittency metrics were generated at multiple scales, and preserve the key artifacts needed to understand and reuse the analysis workflow. The package contains a high-level directory summary file (`summary.txt`) and four main content folders (1) `evaluation_plots` contains evaluation figures and supporting evaluation datasets; (2) `intermittency_plots` contains intermittency-focused analysis notebook and prepared datasets; (3) `ml-training-and-shap_values_plots` contains ML training inputs, SHAP outputs, and figure-generation notebooks; and (4) `watershed_mesh_and_ats_input` contains ATS model setup materials, forcing inputs, geometry, and selected run files. More specifically, the `evaluation_plots` folder contains the notebook used for ATS evaluation plotting and site-specific evaluation datasets. These include evapotranspiration and water-balance products for three watersheds, as well as an Oak Creek field-measurement discharge file. The `intermittency_plots` folder contains the notebook used for intermittency analysis and the prepared datasets used to analyze intermittent and non-intermittent wetness behavior across the study watersheds. The `ml-training-and-shap_values_plots` folder contains notebooks and outputs for the machine-learning and explainability workflow. This includes the main XGBoost and SHAP notebook(s), a beeswarm plotting notebook, target-feature tables for machine-learning training, SHAP summary tables, and per-sample SHAP value archives. The `watershed_mesh_and_ats_input` folder contains ATS-related watershed inputs and supporting materials. This includes mesh and shape products, ATS-readable LAI and meteorological forcing inputs, selected ATS spinup and transient-run files, and a watershed workflow example notebook. Subdirectories are organized by watershed where applicable.All files are .cpg (codepage files), .csv (comma-separated values), .dbf (database files), .exo (Exodus mesh format), .h5 (HDF5 format), .ipynb (Jupyter notebooks), .pkl (Python pickle), .prj (projection files), .sh (shell scripts), .shp (shapefile geometry), .shx (shapefile index), .txt (text files), or .xml (markup data).

Advanced Terrestrial Simulator↗

Hydropower Capacity Factor Trends & Analytics for the United States

This data repository contains all code, input data, and data generated for Turner et al. (2024)—“Hydropower capacity factors trending down in the United States”. File descriptions: – hydro-cf-trends-inputs.zip: Full set of input data used in this study, organized for direct entry into “/data” directory of hydro-cf-trends data processing pipeline. – hydro-cf-trends.zip: Full data processing pipeline, coded using the R {targets} framework. This is a snapshot release (v1.0) of the code repository stored at https://code.ornl.gov/turnersw/hydro-cf-trends/. – hydro-cf-trends-results.zip: Provides all dam level results required to reproduce results and graphics in Turner et al. (2024). Dams are identified by the “complxID” (root of the hydropower plant ID in the Existing Hydropower Assets Database, inherited from HILARRI). Results include: • dam_CF_trends.csv: Table of long-term trends in annualized capacity factors for 610 dams and modeled annualized capacity factors for 362 modeled dams (naturalized and assimilated flows). • dam_annualized_CF_gen.csv: Annualized time series of the following variables for each of 610 hydropower dams with nameplate > 5MW – Reported nameplate capacity (MW) – Implied maximum annual generation (MWh) – Reported net generation (MWh) – Computed annual capacity factor – Modeled annual capacity factor (362 modeled plants only)

13 HYDRO ENERGY↗

Data and scripts associated with a manuscript on a meta-analysis synthesizing stream biogeochemical response to wildfires across space and time (v2)

This data package is associated with the publication “Catchment characteristics modulate the influence of wildfires on nitrate and dissolved organic carbon in lotic systems across space and time: A meta-analysis” submitted to Global Biogeochemical Cycles (Cavaiani et al. 2025). This study uses meta-analytical techniques to evaluate the effect of wildfire on in-stream responses in burned and unburned watersheds. The study aims to provide additional insight into the range of responses and net influences that wildfires have on hydro-biogeochemistry across broad spatial scales, burn extents, and the persistence of water-quality change. This study compiles data and metadata from 18 total publications that includes 1) surface water geochemistry data (dissolved organic carbon; nitrate), 2) climate classifications, 3) year of the wildfire, 4) the time lag between when the fire occurred and when the sampling occurred, and 5) study design of the publication. In total, this meta-analysis draws data that spans 8 climate guilds, 3 biomes, 62 watersheds, and 20 unique wildfires. See Sites_meta_data.csv for citations of the papers used in this meta-analysis. All R scripts and the associated data can also be found on GitHub at This data package was originally published in March 2024. It was updated in April 2025 (v2; new and modified files). See the change history section in the readme for more details. This data package contains five primary folders that include the following: (1) inputs; (2) output for analysis; (3) initial plots; (4) R scripts; and (5) GIS data. The data package also contains a data dictionary (dd) that provides column header definitions and a file-level metadata (flmd) file that describes every file. The “inputs” folder contains a list of all publications identified during the formal web search and an indication of whether each publication was included in the final analysis. Additionally, it includes site-level metadata, catchment characteristics, and GIS data for all publications included in the final analysis. The “Output_for_analysis” folder contains all data frames and figures generated from each R script used for additional data analysis. The “initial_plots” folder includes all exploratory figures that will be included in a supplemental and figures that will be submitted with the manuscript for publication. The “R_scripts” folder contains the scripts that perform all the data manipulations, statistical analyses, and plots. The “gis_data” folder includes shape files for each fire included in this meta-analysis. This data package contains the following file types: csv, pdf, jpeg, cpg, dbf, prj, shp, shp.ea.iso.xml, shp.iso.xml, shx.

54 ENVIRONMENTAL SCIENCES↗

Code Description for "Brief Communication: Monitoring snow depth using small, cheap, and easy-to-deploy ground surface temperature sensors"

Temporally continuous snow depth estimates are vital for understanding changing snow patterns and impacts on permafrost in the Arctic. We train a random forest machine learning model to predict snow depth from variability in ground surface temperature. To our knowledge, this is the first time that small ground surface temperature sensors have been used to estimate snow depth. The model performs well at sites where the model was trained and at pan-arctic evaluation sites (RMSE <= 0.15 m). Small temperature sensors are cheap and easy-to-deploy, so this technique enables spatially distributed and temporally continuous snowpack monitoring to an extent previously infeasible. The model is flexible and can be applied to datasets retroactively to retrieve snow depth estimates at additional sites. This code package includes a *.joblib file of the trained random forest model and a *.ipynb file showing how to clean input data, train the random forest model, and apply the model.

Bachand, Claire↗

AlloSHP: deconvoluting single homeologous polymorphism for phylogenetic analysis of allopolyploids

Background The genomic and evolutionary study of allopolyploid organisms involves multiple copies of homeologous chromosomes, making their assembly, annotation, and phylogenetic analysis challenging. Bioinformatics tools and protocols have been developed to study polyploid genomes, but sometimes require the assembly of their genomes, or at least the genes, limiting their use. Results We have developed AlloSHP, a command-line tool for detecting and extracting single homeologous polymorphisms (SHPs) from the subgenomes of allopolyploid species. This tool integrates three main algorithms, WGA, VCF2ALIGNMENT and VCF2SYNTENY, and allows the detection of SHPs for the study of diploid-polyploid complexes with available diploid progenitor genomes, without assembling and annotating the genomes of the allopolyploids under study. AlloSHP has been validated on three diploid-polyploid plant complexes, Brachypodium, Brassica, and Triticum-Aegilops, and a set of synthetic hybrid yeasts and their progenitors of the genus Saccharomyces. The results and congruent phylogenies obtained from the four datasets demonstrate the potential of AlloSHP for the evolutionary analysis of allopolyploids with a wide range of ploidy and genome sizes. Conclusions AlloSHP combines the strategies of simultaneous mapping against multiple reference genomes and syntenic alignment of these genomes to call SHPs, using as input data a single VCF file and the reference genomes of the known or closest extant diploid progenitor species. This novel approach provides a valuable tool for the evolutionary study of allopolyploid species, both at the interspecific and intraspecific levels, allowing the simultaneous analysis of a large number of accessions and avoiding the complex process of assembling polyploid genomes.

Allopolyploids↗

Integrated GW Farm ABM

This Data Repository includes data used for the integrated groundwater- farm ABM model, raw model output from scenario ensemble, and processed outputs that isolate the groundwater storage depletion outcomes for the 35,000 farm cells. Model Inputs: Farm ABM Inputs: This folder contains the input data used by the integrated groundwater - farm ABM modelling script (Python file) used for the high performance computing (HPC) experiments. The sub-folder "data inputs" contains all of the farm attribute data, while the three files in the folder have the hydrogeological data lookup table (NLDAS Cost Curve Attributes.csv), a lookup table (Theis well function table.csv) for the groundwater cost curve function, and the farm indexes and corresponding NLDAS ids for all of the cells run in this experiment (nldas farms subset final.csv). NLDAS Cost curve hydrogeological data: Hydrogeological data aggregated to 1/8 degree resolution and aligned with the NLDAS grid. Parameters include: water depth below ground surface [meters], subsurface porosity [unitless], aquifer depth from ground surface to aquifer bottom [meters], annual average recharge (USGS: mm, Doll: meters), and three different hydraulic conductivity (K) values (meters/day). The three K values represent the mean value from Gleeson et al. (2018), one standard deviation above the mean from Gleeson et al. (2018), and the de Graaf et al. 2020 modifications to certain lithologies. Additional information about these datasets and their processing are documented in the supplement to Yoon et al. 2025 (in review). Output: Raw outputs: This folder contains a .zip file that has model outputs for the entire scenario ensemble. There is one csv for each farm id, using the format "farm farmid cases.csv". The relationship between the farm id and NLDAS id is defined by the "nldas farms subset final.csv" located in the Farm ABM Inputs folder. Each csv has 625 rows, corresponding to 625 combinations of different scenario parameter values. Each row (scenario) represents the outcome of a 100 year simulation. Columns define scenario settings and summary statistics for each scenario. The first four columns define the scenario settings: "hydro ratio," "econ ratio," "K scenario," and "gamma scenario." The hydro and econ ratios are values passed to the modeling script that influence multipliers for other model parameters, as documented in the supplement to Yoon et al. 2025 (in review). The gamma multiplier is a coefficient multiplier applied to the baseline gamma values (values below 1 represent lower unobserved costs compared to baseline, values above 1 represent higher costs). The K scenario names represent K values of: "low": 0.5 m/d, "int 1": 2.5 m/d, "int 2": 10 m/d, "high": 50 m/d, and "gleeson": mean Gleeson K value. "Perc vol depleted" is the fraction of groundwater depleted at the end of the 100 simulation. Processed Output: Derived depletion outcomes from raw outputs: All of the individual csv files from the Raw outputs were aggregated into a single file that has the scenario settings and fraction depletion "Perc vol depleted" for every farm cell, for every scenario. The other two files define relationships between the farm id, NLDAS id, and local and major aquifer units, used for aquifer-level depletion analysis.

Agent based modeling↗

Numerical assessment of the impact of the guiding-centre approximation on fast ion simulations in NSTX

Guiding-centre (GC) and full-orbit (FO) simulations of the beam-injected fast ion distribution and the corresponding neutron emissivity have been carried out for magnetohydrodynamics-quiescent National Spherical Torus eXperiment (NSTX) plasmas, using a combination of ASCOT5 and DRESS, to assess the suitability of the GC approximation for fast ions in NSTX. It was found that GC and FO simulations predicted substantially different steady-state distributions in both position and velocity space and different neutron emissivity profiles, leading to a 15% reduction in the predicted global neutron rate for FO relative to GC. These changes accompany a higher magnetic moment in FO, and correspond to a change in particle orbits from co-passing to trapped and stagnation orbits. ASCOT5 was also benchmarked against TRANSP/NUBEAM with input loaded entirely from TRANSP/NUBEAM output files, with agreement found between the GC simulations when finite Larmor radius (FLR) corrections were omitted. ASCOT5 FO and TRANSP/NUBEAM with FLR produced fast ion distributions which differed in localised regions, but predicted global neutron rates which agree within 3%.

ASCOT↗

LaPT (Lab Process Tracker) [SWR-26-048]

LaPT (Lab Process Tracker) is a QR/barcode scanning infrastructure for tracking samples and processes. It is a tracking application for lab operations with a graphical user interface. Track processes and sample scans using QR code input, with logs saved to CSV files.

Daxini, Rajiv [National Laboratory of the Rockies ↗

Dataset for Role of electron correlation on the adenine dimer interaction for non-equilibrium geometries: a benchmark Quantum Monte Carlo study

Datasets for the calculations reported in "Role of electron correlation on the adenine dimer interaction for non-equilibrium geometries: A benchmark Quantum Monte Carlo study" by L. Washburn, A. Sedova, P. R. C. Kent. J. Chem. Phys. (2026) 165 (5): 054118. https://doi.org/10.1063/5.0332651. Includes the molecular geometries, QMCPACK, PySCF, and ORCA inputs and outputs, analysis scripts and files needed to reproduce all the figures and tables.

59 BASIC BIOLOGICAL SCIENCES↗

FY25 MOOSE Usability Improvements: 3D Meshing Capabilities, Initiation of Geometry Support for Monte Carlo Tools, and Enhancement of MOOSE/Workbench User Input Interactions

Usability improvements have been made to MOOSE and Workbench in FY25 to enhance usability and user workflows. Assorted enhancement have been made to MOOSE’s intrinsic meshing capabilities in order to enable more flexible and complex meshing of nuclear reactor systems, in particular for 3D applications. Mesh generators have been added to perform operations such as batch mesh generation, surface mesh generation, and creation of 3D transition layers. These mesh generation capabilities make it much easier to generate high quality non-extruded 3D meshes. Additionally, work to integrate Monte Carlo reactor physics simulations into MOOSE-based multi-physics workflows has reached another milestone with the implementation of the Constructive Solid Geometry (CSG) base framework. This framework lays the foundation for mesh generators to offer the user a generic CSG output option (as opposed to a finite element mesh). To support users, workshop on the MOOSE Reactor Module was delivered which featured hands-on examples using the NEAMS Workbench on INL’s High Performance Computing system. Recent updates to the NEAMS Workbench, WASP, and the MOOSE language server have introduced several improvements aimed at making MOOSE-based simulation setup and input management faster, more accurate, and easier to use. Key capabilities that have been added include multi-tab-stop autocompletion, visual input diagnostics, developer-directed data visualizations, upgraded ParaView integration, and Workspace-level file tracking. Together, these changes make it easier for users to build, validate, and manage complex MOOSE-based simulation models — especially those involving reusable components, included files, and datasets. The improvements are designed to save time, reduce input errors, and help users get to a successful simulation run faster, with more confidence in the results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Field and Model Data Associated with the Manuscript “Drivers of Streamflow Intermittency in Humid Regions: 1. Evaluating Above- and Below-ground Controls of Flow Persistence in a Forested Catchment”

This package contains field data, modeling files, and scripts supporting the investigation of the drivers of streamflow intermittency in a forested catchment. It includes the field data collected from electrical resistivity tomography (ERT) surveys, ground penetrating radar (GPR), continuous self-potential (SP) monitoring, electromagnetic (EM) imaging, groundwater and stilling well. In addition, it contains the data and results of the coupled water- and electrical-flow model developed using the COMSOL Multiphysics and Advanced Terrestrial Simulator (ATS), as well as software files and Jupyter notebooks used to process the data and generate figures in the manuscript submitted for peer review. The data archive is organized in the following directories: 1) Climate Includes hourly precipitation and daily evapotranspiration time series (2024 – 2025) provided as CSV files, alongside a text file detailing dataset units. 2) Coupled_model Contains two subfolders: Synthetic and Field_Application subfolder. Synthetic subfolder contains the ATS XML input script (can be opened using any code editor) for the four synthetic hydrological cases tested (Connected and gaining, Connected and losing, Disconnected and losing, and dry stream). It also includes other experimental cases to test the influence of precipitation and concentration gradient. For each synthetic case, the flow model simulation is executed using the ATS XML scripts and the included Python script (generate_data_set.py) to convert ATS output to COMSOL-ready input. COMSOL Multiphysics template (.mph can be opened with the commercial software COMSOL and requires a license) is executed using the ATS output data to simulate the potential field. It also includes the Synthetic_model_plot.ipynb (can be opened using any code editor) to visualize the SP result and generate manuscript figures. The data subfolder contains mesh files to run both the ATS (.exo and .stl files can be viewed using Paraview; .h5 files can be opened using HDFView software and h5py Python package) and COMSOL models. Field_Application subfolder contains two subfolders: ES_MDA_inversion and Final_Model. ES_MDA_inversion contains the Python script (.py can be opened using any code editor) and SP observation data used to run the Ensemble Smoother with Multiple Data Assimilation (ES-MDA) inversion sequence to get the optimal model parameters. The Final_model subfolder contains the ATS XML input scripts, data files, output data for the two SP sites. The same workflow steps outlined for the Synthetic subfolder apply here. It also contains the Jupyter notebook (Plot_final_calib.ipynb) to visualize the results of the modeled SP, stream-groundwater exchange and moisture content. 3) Discharge Includes the electrical conductivity (EC) time series (provided as CSV files) from salt slug injections. It also includes the Jupyter notebook (Discharge_process.ipynyb) used to estimate discharge. All discharge measurements collated into rating_curve_processed.csv 4) EM Contains the CSV file of the EM data from the DUALEM-42, including spatial coordinates (x, y, z), apparent conductivity, and in-phase measurements at 2 m coil separations for horizontal coplanar (HCP) and perpendicular (PRP) geometries. 5) ERT Contains raw resistivity data (provided as CSV files), spatial location of each of the electrodes (provided as CSV files), and files used for the resistivity inversion (.resipy can be opened with the open-source ResIPy software). 6) GPR Includes GPR field datasets collected at 100 MHz and 250 MHz antenna frequencies, along with the processing/interpretation project file (GPR_process.gpz can be viewed using EKKO_Project 6, a commercial software by Sensors & Software that requires a license). 7) Slug_test Includes the slug test data at all the groundwater wells provided as CSV files, as well as the Jupyter notebook (Slug_test.ipynb) for calculating hydraulic conductivity. 8) SP Contains the SP data collected in field at the two SP sites (one in the perennial reach and the other in the intermittent reach), provided as DAT files. 9) Well_data Contains two subfolders: 1) Raw, which provides unprocessed pressure, electrical conductivity and temperature timeseries downloaded from the loggers in all the groundwater and stilling wells, and 2) Processed, which contains sorted, QA/QC timeseries data for each well. The data archive also contains data_process.ipynb, a Jupyter notebook used for field data analysis and generating figures (plotting well, SP, climate, and discharge data, as well as calculating head gradient at sites with nested groundwater wells). It also includes DTW.ipynb, a Jupyter notebook containing the code for the dynamic time warping (DTW) with sliding window to evaluate SP signal synchronicity.

ATS↗

Data and scripts associated with the manuscript "Organic Molecules are Deterministically Assembled in River Sediments"

This data package is associated with the publication "Organic Molecules are Deterministically Assembled in River Sediments" submitted to Scientific Reports (Stegen et al., 2024). The study applies community ecology methods to dissolved organic matter (DOM) chemistry from variably inundated riverbed sediments to uncover principles governing DOM composition at a reach-scale. This data package documents the workflow used to process and generate the main findings in the manuscript. The R scripts reference the raw, unprocessed Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) data from another data package, available on ESS-DIVE at https://data.ess-dive.lbl.gov/view/doi:10.15485/1834208. The scripts then process the raw FTICR-MS data and generate the findings and figures presented in the associated manuscript. In brief, this study demonstrates that DOM assemblages in variably inundated sediments are primarily governed by deterministic variable selection, including sediment moisture effecting the degree of deterministic assembly. See the manuscript for more details pertaining to interpretation and implications of the findings. This data package is associated with the GitHub repository found at https://github.com/WHONDRS-Hub/ECA_2020_Sed.This data package is comprised of 6 scripts and 7 folders. The file-level metadata file (file ending in "flmd.csv") lists all files contained in this data package and descriptions for each. The data dictionary (file ending in "dd.csv) describes all tabular data columns and their respective definitions and units. The FTICR_Processing_Scripts produce the outputs found in the "Processed_Data" folder. The remaining scripts (located in the parent directory) produce the outputs found in the following four folders: (1) "MCD_Dendrograms", "MCD_Randomizations", "MCD_bNTI_Outcomes", and "OM_Null_Modeling". The fifth script additionally takes the three comma-separated values (CSV) files found in the parent directory as input ("VGC_texture.csv", "merged_weights.csv", and "ECA2_FTICR_BetaDisp.csv"). The outputs of each of the five scripts serve as the input to the following script, with the final outputs stored in the folder "OM_Null_Modeling".

54 ENVIRONMENTAL SCIENCES↗

Public Reference Data for Megawatt-Scale Hydrogen Electrolysis - NLR Historical Solar PV

The U.S. Department of Energy and National Laboratory of the Rockies (NLR) demonstrate hydrogen electrolysis from variable sources, hydrogen compression and storage, and hydrogen fuel cell power production using megawatt-scale equipment at NLR’s Flatirons Campus as part of the Advanced Research on Integrated Energy Systems (ARIES) research platform. This dataset represents part of that effort and is intended for academic, national laboratory, industrial, and other stakeholders to plan, design, and validate models of megawatt-scale hydrogen technologies and diverse energy infrastructure nationwide. These data provide a baseline for how existing hydrogen electrolysis technologies perform when coupled with various energy technologies. Future datasets will demonstrate how existing hydrogen fuel cell technologies can provide controllable, dispatchable, and variable power output for artificial intelligence data centers and other variable loads. This dataset entry describes the behavior of a 1.25-MW proton exchange membrane MC250 electrolyzer system, manufactured by Nel Hydrogen , [1] when fed historical data generated by the 430-kW, fixed-axis solar photovoltaic (PV) array located at NLR’s Flatirons Campus. (While the electrolyzer balance of plant supports up to 2.5 MW of electrolysis, NLR only has a single 1.25-MW electrolysis stack.) Solar PV power output data for the 2020 calendar year were categorized on a daily basis by total energy generation and standard deviation. Each day was then ranked by these metrics, and the 25th, 50th, and 100th percentiles were selected. The 75th percentile day did not exhibit sufficient variability to make for a valuable experiment. A similar process was used for the related historical wind dataset . [2] The historical days in 2020 that represented these percentiles are Dec. 19, March 29, and May 4, respectively. The entire solar day’s power profile was then fed through the MC250 electrolyzer. Due to its length, the 100th percentile day experiment was split into two parts, and the final 3 hours of the solar day were not captured. These final 3 hours contained no spikes or dips of interest and simply represented a slow decay of input solar power. Also, a single timestamp (13:13:47 on Jan. 14, 2026) was lost in the hydrogen system supervisory control and data acquisition. Finally, during the 25th percentile experiment (solar day Dec. 19, 2020) data recording was lost from 11:00:13 to 11:14:45. The roughly 15 minutes of the solar profile were rerun at the end of the experiment and spliced into this time slot during post-processing. The electrolysis system controls hydrogen production by varying direct current applied to the stack, from a maximum of 3,000 A to a minimum safe operation of 300 A, or 10%. Because the current–voltage characteristic changes as the stack ages and efficiency degrades, the actual minimum safe operating power changes over time. The historical solar profiles were translated from power (kilowatts) to current (amperes) using a curve fit with calibration data and sent to the electrolyzer power supply at 1-Hz frequency. For more details on the statistical analysis process, see the slide deck “Public Reference Data for Megawatt-Scale Hydrogen Electrolysis: NLR Historical Solar PV Analysis and Profile Generation” accessible with this data entry. These datasets report relevant hydrogen balance-of-plant and system data, all captured at 1 Hz, including hydrogen mass production measured with an Emerson Coriolis flow meter. Each .zip file represents a single solar PV electrolysis experiment and is formatted as: {technology}_{percentile}_{scaling factor} For instance, “solarPV-430kW_25_2x.zip” reports the experiment using the 25th percentile solar data from the historical 2020 solar PV dataset, scaled to 200%. Scaling factors were applied to the generated solar PV power output files to more closely match the 1.25-MW capacity of the electrolyzer. Each .zip folder contains the following files: A .csv file containing raw data. An .xlsx file explaining all the fields in the raw data. A .png plot showing the time series of hydrogen production, electrolysis power consumption, and solar power input. A PDF file detailing the historical solar data statistical analysis used to generate the solar profile. An experiment labeled “characterization_200.zip” demonstrates the MC250 electrolyzer steady-state response with 30-minute load steps for a total duration of 5 hours. Finally, a .csv file is provided with all experiments combined into one dataset labeled "combined_solarPV_experiments.csv". [1] nelhydrogen.com/product/mc-series-electrolyser . [2] data.nlr.gov/submissions/316 .

08 HYDROGEN↗

serial-log-replayer

The code records or logs serial input along with a timestamp to a binary file. The code can then read this log file and replay the serial data with the same relative timings.

Sikkema, Isaac [Oak Ridge National Laboratory (ORN↗