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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

Cyber-Informed Engineering (CIE) Workbook: End-of-Train (EoT) / Head-of-Train (HoT) Communications

This workbook presents a vulnerability (CVE-2025-1727 ) found in train applications and guides a digital risk assessment and mitigation analysis and application of Cyber-Informed Engineering principles to mitigate the potential consequences and ultimately the hazard through the engineering discipline because of exploiting this vulnerability. Workshop participants are encouraged to use the workbook to capture insights and lessons learned. The workbook guides the participant to: • Understand the HE communication vulnerability • Map digital threats to physical consequences • Use bowtie analysis to illustrate both “security” and “engineering” barriers • Apply CIE principles to ensure that even if communications are compromised, the physical engineered system still behaves safely. • Produce an actionable set of engineered and infosec controls for implementation

42 - ENGINEERING

Workbooks for Cambium 2024 Data

These workbooks contain a subset of cost and emissions data from the 2024 Cambium datasets, with levelization calculations to assist users in translating Cambium’s year-over-year values to a representative value for a user-specified project timeline. These workbooks provide modeled data for 18 GEA regions covering the contiguous United States, projected forward through 2050. Mappings of these regions to ZIP codes and counties is given within this workbook in the corresponding tabs. For the full Cambium 2024 data sets, see the Cambium 2024 project on NREL's Scenario Viewer. For more details on input assumptions and methodology see the associated report: Cambium 2024 Scenario Descriptions and Documentation. Users are advised to review section 4 of the report, which discusses limitations and caveats of the data. This data is planned to be updated annually. Information on the latest versions can be found on the NREL energy analysis page on Cambium.

29 ENERGY PLANNING, POLICY, AND ECONOMY

Cyber-Informed Engineering Workbook: SCADA (VoltVAR)

This case study workbook provides a hypothetical project to support discussion and application of Cyber-Informed Engineering principles. Participants in the workshop are encouraged to use the workbook to capture insights and lessons learned.

42 - ENGINEERING

Cyber-Informed Engineering Workbook: Substations

This workbook contains a case study based on a hypothetical substation project, intended to aid in the conversation and utilization of principles related to Cyber-Informed Engineering.

42 ENGINEERING

Cyber-Informed Engineering Workbook: ADMS

This workbook presents a hypothetical project designed to facilitate discussion and the practical application of cyber-informed engineering principles.

42 ENGINEERING

Soil microbial ecology and microbiome-metabolite linkages improve understanding of ecosystem states along terrestrial-aquatic interfaces

These data are from Bandopadhyay et al., "Soil microbial ecology and microbiome-metabolite linkages improve understanding of ecosystem states along terrestrial-aquatic interfaces". This study aims to understand the soil microbial ecology along terrestrial-aquatic interfaces of a freshwater and estuarine region and how it relates to organic matter. We analyzed soil microbial (16S rRNA gene) and organic matter (Fourier-transform ion cyclotron resonance mass spectrometry, FTICR-MS) composition from upland (forested), transition (stressed forest), and wetland positions at three sites in each of the Lake Erie (freshwater) and Chesapeake Bay (estuarine) regions. This dataset includes 16S rRNA gene amplicon data (only processed file types included here) and organic matter composition from FTICR-MS data (raw and processed files included here) from upland (forested), transition (stressed forest), and wetland positions at three sites in each of the Lake Erie and Chesapeake Bay regions. These sites are part of the COMPASS-FME project (https://compass.pnnl.gov/FME/COMPASSFME). File formats and software needed to access files: 16S rRNA gene amplicon data: These files follow the format reported here https://ess-dive.gitbook.io/amplicon-sequencing-reporting-format#updates-in-v1.0.1. As per this format, there are four file types reported: 1. Taxon tables (also called sequence-by-sample or OTU (operational taxonomic unit)/ESV (exact sequence variant) tables) : available in a .txt file format and accessible using TextEdit or MS Excel. 2. Representative sequences (also called consensus sequences) : available in a .fasta format and accessible using TextEdit. 3. Sequencing metadata : available in a MS Excel workbook file format and CSV file format 4. Bioinformatic metadata : available in a MS Excel workbook file format and CSV file format FTICR-MS data: 1. Raw data converted to a processed file with intensities of the peaks in the given samples : available in a MS Excel CSV file format 2. Processed file used in analyses and visualizations (appended as icr_long_) : available in a MS Excel CSV file format 3. Metadata file for ICR features (appended as icr_meta) : available in a MS Excel CSV file format

54 ENVIRONMENTAL SCIENCES

Pressure Safety Training (Rev. 8)

This is the workbook for the Pressure Safety Training Course. It is intended as a reference manual and guide for all work with pressurized liquids or gases. This workbook contains basic references to make work with pressure safer. It is intended to supplement classroom instruction, rather than serve as a definitive text on pressure. Earlier versions of the manual were intended specifically for training at Lawrence Livermore National Laboratory. This revision is a generic version intended for training at all DOE facilities. The information in the Standards chapter is from the LLNL Health and Safety Manual. It is included here as a convenient reference and guide for developing similar standards at your own facility.

42 ENGINEERING

Data from a throughfall exclusion experiment: Fine root dynamics, morphology, chemistry, and AMF colonization across four lowland Panamanian forests

Fine roots regulate forest nutrient, carbon, and water cycling, yet their variation within and among tropical forests remains under-characterized. We quantified root productivity, disappearance, and stocks to 1 m using minirhizotron imaging, and we measured morphology, elemental composition [root carbon (C), root nitrogen (N), root phosphorus (P)], and arbuscular mycorrhizal fungi (AMF) colonization to 20 cm using ingrowth cores and sequential coring. Sampling took place in four distinct lowland Panamanian forests (32 plots; 8 per forest) from 2018 through 2022 under control and throughfall-exclusion (drought) treatments in the Panama Rainforest Changes with Experimental Drying (PARCHED) experiment.The dataset is presented as an Excel workbook with six tabs. The first tab is the data dictionary. Tab S1 contains ingrowth-core production and mortality, morphology and soil moisture. Tab S2 contains sequential-coring standing stocks with associated morphology and soil moisture. Tab S3 contains minirhizotron row data records to 1 m depth, including per-frame root length and diameter, normalized length metrics, and session timing. Tab S4 contains AMF colonization. Tab S5 contains fine-root chemistry at 0–10 cm, reporting %P, %C, %N, and C:N for samples collected via ingrowth cores and sequential-coring standing stocks. CSV mirrors for each tab are provided, and a KML file supplies coordinates for all 32 plots.Key variables span live and dead fine-root biomass (and coarse fractions where applicable), specific root length (SRL) and area (SRA), diameter, root tissue density (RTD), soil moisture, AMF colonization, root %N, %C, %P, and C:N, along with minirhizotron root length and diameter. Depth, season, treatment, and plot/site identifiers are included to support cross-tab integration and analysis from 0–100 cm (minirhizotron) and 0–20 cm (cores).Units are reported in-column and missing values are coded as NA. No special software is required to open or use the files (Excel, CSV, and KML compatible).

54 ENVIRONMENTAL SCIENCES

Microbial community data from throughfall exclusion experiment: Metadata, SI, community composition, LefSe, and FunGuilR data tables from PARCHED Panama tropical forest soils, 2024-2025

Soil contains more carbon (C) than terrestrial vegetation and the atmosphere combined, with some of the largest terrestrial C stocks in tropical rainforests. Soil microbes decompose organic matter, playing a vital role in the storage or loss of soil C. With climate change, drought conditions are predicted to increase in many tropical regions, including both chronic drying and extended drought, potentially influencing these processes. This project explored the effects of chronic and seasonal drying on soil microbial communities across four distinct tropical forests in a long-term drying experiment. We investigated the effects of a chronic drying manipulation on soil microbial community abundance and variation across different forests and seasons. We also compared findings with previously published data from these forests after short-term drying. This project used soils from a long-term drying experiment established in 2018 across four seasonal lowland forests in Panama. Soils were collected from 0 – 10 cm depths during three seasonal periods in control and drying plots in 2024 and 2025 from a total of 32 plots (n = 4 per forest per treatment). The forests varied in baseline rainfall and soil fertility. We calculated alpha and beta diversity indices and compared taxonomic community composition. We found significant biogeographic variation in microbial diversity and taxonomy, with significant differences across the forests and significant effects of the drying treatment. Metadata and sample IDs are within Metadata_16S.csv and Metadata_ITS.csv. Relative abundance tables of every sample at every season are shown in the Excel workbooks 16S Relative Abundance.xlsx and ITS Relative Abundance.xlsx. They are then also shown in CSV files by each taxonomic level. Linear discriminant analysis effect size (LefSe) tables are shown for the full 16S and ITS datasets (n = 96), subsets for every site at every season (n = 8), and then for the forests with each plot merged by season (n = 8). FunGuildR data table of ITS data is uploaded.

Bacteria

Life Cycle Analysis of Natural Gas Extraction and Power Generation: U.S. 2020 Emissions Profile

This analysis expands upon previous life cycle analyses (LCAs) of natural gas systems performed by the National Energy Technology Laboratory (NETL). It provides a complete inventory of emissions to air and water, water consumption, and land use change. These environmental burdens are detailed for all supply chain steps from natural gas production through natural gas distribution. This package includes the report, the NETL Natural Gas Model, and appendices that include several Excel workbooks and a python script to provide transparent access to the calculations and resulting data.<p>To access the NETL Natural Gas Lifecycle model, visit https://doi.org/10.18141/2476250.</p><p>To access the 2020 Report Appendices, visit https://doi.org/10.18141/2438472.</p>

03 NATURAL GAS

Climate-focused Life Cycle Assessments of Biochar Production by an ARTi Pyrolysis Reactor and an Air Burners CharBoss® Air Curtain Incinerator

This report presents a limited, dynamic, consequential life cycle assessment (LCA) to compare the climate impacts of two biochar production methods using wood as a feedstock. The two methods are a pyrolysis reactor supplied by ARTi (Des Moines, IA, https://www.arti.com/) and a T26 CharBoss® air curtain incinerator supplied by Air Burners, Inc. (Palm City, FL, https://airburners.com/). The underlying LCA methodology is described in a chapter by Singh et al. (2024) and implemented in the form of a workbook freely available as online Supplementary Material for the chapter. For the convenience of the reader, a pre-print version of the relevant portions of Singh et al. (2024) is attached as Appendix A to this report. Specific assumptions and calculations to obtain the input parameters used in this LCA for each production method are described in the Methodology section below. This implementation of the LCA considers emissions associated with biomass loading, comminution and conversion, biochar decay in soil, and the production and use of bioenergy generated during the conversion process. The LCA is “limited” in that upstream emissions associated with biomass production, harvest, transportation, and land-use change, as well as embodied emissions in equipment and facilities are not considered. Similarly, downstream emissions from biochar transport and incorporation into soil (i.e., tillage), and the impact of biochar soil amendments on soil greenhouse gas (GHG) emissions (other than CO 2 from biochar decay in soil), soil organic carbon stocks, crop response, and surface albedo are not considered. As the intent is to compare different biochar production methods in a simple unbiased manner, the primary alternative biomass pathway for the LCA is immaculate combustion, which is the hypothetical instantaneous and complete conversion of carbon in the biomass to CO 2 at time zero without generation of any other greenhouse gases or aerosols (GHGAs) or any useful bioenergy. Use of this pathway provides relative values for the production methods and, when the embodied emissions are similar and the same feedstock is used, these relative values are reasonable approximations for those attained with a full LCA.

09 BIOMASS FUELS

Life Cycle Analysis of Natural Gas Extraction and Power Generation: U.S. 2020 Emissions Profile

This analysis expands upon previous life cycle analyses (LCAs) of natural gas systems performed by the National Energy Technology Laboratory (NETL). It provides a complete inventory of emissions to air and water, water consumption, and land use change. These environmental burdens are detailed for all supply chain steps from natural gas production through natural gas distribution. This package includes the report, the NETL Natural Gas Model, and appendices that include several Excel workbooks and a python script to provide transparent access to the calculations and resulting data. This is revision 1 of the 2024 study (published December 17, 2024 and updated on January 24, 2025) and corrects a modeling error in natural gas composition. See the errata on page 2 for more information.

03 NATURAL GAS

Development of the Well-to-Wake Life Cycle Assessment Model for Marine Fuels in R&D GREET 2025

The Marine analysis capabilities in the 2025 Research and Development Greenhouse gases, Regulated Emissions, and Energy use in Technologies (R&D GREET) have been updated to incorporate the latest findings from the Fourth International Maritime Organization (IMO) GHG Study.1 To support these updates and enhance user flexibility, the former single marine module used in previous R&D GREET versions has been split into two workbook tabs: The Marine_Fuel tab, which covers the fuel-cycle, and the Marine_Trip tab, which covers the trip-cycle. In the Marine_Fuel tab, fuel cycle results for 39 marine fuels are available—assuming a slow speed diesel engine—and can be seen in Appendix A. However, there are options for changing feedstocks for multiple fuels, ability to view results with or without pilot fuels for fuels such as methanol and ammonia, and carbon capture options. All these combinations make the number of total possible pathways over one hundred. For each pathway, life cycle emission results are divided into feedstock, conversion, and combustion categories, along with pilot fuel supply chain emissions for fuels used in dual fuel engines. In the newly created Marine_Trip tab, users can view the life cycle emissions of using these fuels from a trip perspective. Compared to R&D GREET 2024, 16 new types of vessels are added in R&D GREET 2025. Examples of results assuming the default size for each vessel type are available in Appendix A. Additional information categories on vessels are included such as vessel size, main propulsion type, engine power rating, combustion cycle, etc. based on the Fourth IMO GHG Study. Operational mode of the trip, fuel consumption, and load calculation were updated based on the report. The fuel consumption calculation also incorporates low-load adjustment, speed–power correction, weather correction, and fouling correction factors. Furthermore, fuel consumption in boilers or steam turbines is also added for the first time, besides fuel use in main propulsion engines and auxiliary engines. This effort makes the R&D GREET Marine capabilities more robust than before. Users will be able to estimate fuel consumption more accurately for more diverse choices of vessel categories, vessel sizes, and energy converters.

09 BIOMASS FUELS

Data Format and Descriptions for the Alabama Carbon Storage: Data Sharing and Engagement Project

The Alabama Carbon Storage: Data Sharing and Engagement (ACS-DSE) project seeks to develop publicly accessible geologic carbon storage models and data across the southern Gulf Coastal Plain of Alabama. The public online platform developed for this project will include geologic, geophysical, infrastructure, and other relevant datasets and geologic models of the study area. Datasets, model surfaces (e.g. structural contour maps, isolith maps, porosity maps), and infrastructure data (e.g. offshore pipelines, field boundaries) will be downloadable in commonly used file formats. The anticipated primary geologic datasets are well headers, formation tops, average reservoir properties, and core analyses; these will be available as commaseparated values (CSV) text files and MS Excel workbooks. Geophysical logs will be available in Log ASCII Standard (LAS) file format. Modeled surfaces, such as structure contour maps, will be available in ArcGIS formats and text files. Infrastructure data will be available as ArcGIS shapefiles. This document provides information on the data sources and attributes of the datasets.

01 COAL, LIGNITE, AND PEAT

Dataset_for_Conserved_macromolecular_architecture_of_Poplar_secondary_cell_walls_revealed_by_ssNMR_and_atomistic_modeling

This dataset contains solid-state 13C NMR data and atomistic molecular dynamics simulation files supporting the study of nanoscale secondary cell wall architecture across 13 genetically diverse Populus trichocarpa genotypes grown under uniform greenhouse conditions in 13C-enriched CO2 atmospheres (~89% 13C enrichment).The dataset contains two collections of solid-state 13C NMR data. (1) 200 MHz data (Bruker Avance III HD, 4 mm HX probe, 10 kHz MAS): raw Bruker TopSpin experiment folders and DMFIT-exported ascii spectra for selective and non-selective 1D 13C-13C spin diffusion experiments (3000 ms mixing) used to quantify inter-polymer spatial proximities, and short-mixing (1 ms) reference spectra used for polymeric abundance quantification by spectral deconvolution. (2) 600 MHz data (Bruker Avance III, 1.6 mm PhoenixNMR HXY probe, 30 kHz MAS): raw Bruker TopSpin experiment folders containing 2D CORD, 2D CP-INADEQUATE, and 13C/1H relaxation (T1, T1rho) experiments for all 13 genotypes, with processed Excel workbooks per experiment type. Molecular dynamics simulation code, coordinate files, and analysis scripts (NAMD/CHARMM/Python) for six atomistic cell wall models are included. Summarized ssNMR data are compiled into a single excel file and subjected to statistical analysis. Multivariate analysis code (PCA, Pearson correlation) and summary data are provided as excel worksheets and Jupyter notebooks (Python 3).

09 BIOMASS FUELS