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Additional Metadata Guidelines to Improve the Structure and Usability of HDF and NetCDF Files

The Hierarchical Data Format (HDF) and Network Common Data Form (NetCDF) are data file formats created to aid users in the creation or use of scientific data. These file formats are useful for handling large data volumes and hosting extensive metadata as global attributes or variables and are popular with the modeling community. HDF and NetCDF files are largely used with remote sensing data and have been used to support measurements from numerous campaigns, from satellite to aircraft or ground and mobile based measurements. The files from airborne field studies, however, vary greatly in terms of the file structure and the amount and content of metadata. Information relevant to the file that can be useful to the user such as the data producer, location where data was taken, variable descriptions, or information about the instrument might not be included in the file. This metadata might be present in another file in the dataset containing the same data using the International Consortium for Atmospheric Research on Transport and Transformation (ICARTT) format. Recently, the Aerosols, Clouds, and their Interactions for Earth System Models (MACIE) group started a grassroots effort to develop a set of requirements for the HDF and NetCDF files for field studies, aiming to make the data products more interoperable and usable. Particularly, these requirements seek to make the files more compliant to Climate and Forecast (CF) metadata conventions and to standardize the file structure and the global and variable attributes. These requirements would help to ensure that HDF and NetCDF files contain adequate metadata to better support their use for research, e.g., the modeling community, and to enhance the usability and interoperability of data for research communities at large. To be presented are the details of the MACIE requirements as well as examples of the implementation of these requirements for merge files and lidar observation data files.

Sean Leavor↗

NASA NTRS2018

On the Development of Shell Buckling Knockdown Factors for Stiffened Metallic Launch Vehicle Cylinders

From the 1920s to the early 1970s, many shell buckling experiments were conducted in an effort to understand the complex buckling behavior exhibited by thin-walled cylindrical shells, to provide data to correlate with new shell stability theories, and provide design guidelines. Typically, the experiments yielded buckling loads that were substantially lower than the corresponding analytical predictions, which were based on simplified linear bifurcation analyses of geometrically perfect shells with nominal dimensions and idealized boundary conditions. The seminal works by von Kármán and Tsien, by Donnell and Wan, and by Koiter identified small deviations from the idealized geometry of a shell, known as initial geometric imperfections, as a primary source of the discrepancy between corresponding analytical predictions and experimental results. However, the computational tools and capabilities at that time could not perform the nonlinear analyses needed to assess the effects of these imperfections on the buckling behavior of thin-walled shells. Thus, buckling design allowables were determined by establishing lower bounds to test data. Specifically, empirical design factors, that have become known as knockdown factors, were determined and were to be used in conjunction with linear bifurcation analyses for simply supported shells; that is, these empirical factors were used to "knock down" the value of the unconservative simplified analytical prediction. This approach to shell buckling design has proved satisfactory for most design purposes and remains prominent in industry practice, as evidenced by the extensive use of the NASA space vehicle design criteria and recommendations. Unfortunately, the current design guidelines have not been updated since they were first published in the late 1960s and may not be able to take full advantage of modern materials, precision manufacturing processes, and new structural concepts.

Hilburger, Mark W.↗

DOE OSTI2023

Model-based data center cooling controls comparative co-design

This article presents a comparative simulation-based control logic design process. It uses the Control Description Language (CDL) and the ASHRAE Guideline 36 high-performing building control sequences with the Modelica Buildings Library (MBL) to demonstrate a comparative analysis of two control designs for a data center chilled water plant. Details include a description of the closed-loop plant and control design methodology, including sizing and parameterization, base and alternative (Guideline 36) control logic with software implementation structure, and outline of the simulation experimentation process. The selected control designs are paired with comparable chilled water plant configurations. The models include a chiller, a water-side economizer, and an evaporative cooling tower. The plant provides cooling at 27ºC zone supply air temperature to a data center in Sacramento, CA. The comparative simulation results examined the impacts of a selected control logic detail, and present an example model-based design application. Overall, the simulation results showed a 25% annual and a 18% summer energy use reduction for alternative controls. This shows that simulation-based control logic design performance evaluation can improve energy efficiency and resilience aspects of system controls at large.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Data and scripts associated with “Sequential Precipitation Input Tagging (SPIT) to Estimate Water Transit Times and Hydrologic Tracer Dynamics within Water-Tagging Enabled Hydrologic Models” (v3)

This data package is associated with the publication “Sequential Precipitation Input Tagging (SPIT) to Estimate Water Transit Times and Hydrologic Tracer Dynamics within Water-Tagging Enabled Hydrologic Models” submitted to Journal of Advances in Modeling Earth Systems (Butler et al. 2025). This study developed the Sequential Precipitation Input Tagging (SPIT) framework to tag input precipitation and estimate water transit times and hydrologic tracers. SPIT tags all precipitation events at regular intervals over an extended period (monthly tags over seven years) in a hydrologic model from 2016-2022. SPIT is applied at six National Ecological Observatory Network (NEON) sites across the continental United States to calculate transit time distributions (TTD) and derive from these mean transit times (MTT), fractions of young water (Fyw), and hydrologic tracer concentrations in stream water (δ18O) within a water-tagging enabled version of the Weather Research and Forecast (WT-WRF-Hydro) model with national water model (NWM) configurations. We go on to validate WT-WRF-Hydro estimates against Butler et al. (2023), who analyzed the same NEON sites using stable water isotope data to estimate water transit times. This new tracking method provides a detailed picture of water movement and helps improve predictions about water availability in the future. This data package was originally published in January 2025. It was updated May 2025 (v2; new and modified files) and October 2025 (v3; new and modified files). File and folder names were not revised to indicate changes. See the change history section in the readme for more details. This data package contains the data and scripts used to develop the SPIT framework WT-WRF-Hydro (Water Tagging Weather Research and Forecasting Hydrologic) model and is associated with the following GitHub repository: https://github.com/zbutler33/SPIT-Framework. This data package contains five parent folders: (1) “Manipulated_outputs”, (2) “Metadata”, (3) “Observed”, (4) “Outputs”, and (5) “Scripts”. Each of these parent folders contains additional subfolders and files. Please see the FLMD (“v*_Butler_2024_WT_WRF_Hydro_flmd.csv”) for a list of all the files contained in this data package and descriptions for each. See the data dictionary (“v*_Butler_2024_WT_WRF_Hydro_dd.csv”) for definitions and units of all of the tabular (files ending in “.csv” and ".tsv") column headers.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Artificial intelligence models, photos, and data associated with the manuscript “Quantifying Streambed Grain Size, Uncertainty, and Hydrobiogeochemical Parameters Using Machine Learning Model YOLO” (v2)

This data package is associated with the manuscript “Quantifying Streambed Grain Size, Uncertainty, and Hydrobiogeochemical Parameters Using Machine Learning Model YOLO” published in Water Resources Research (Chen et al., 2024). This data package includes the training, validation, testing, and prediction data used by the artificial intelligence (AI) model for automated grain size and hydro-biogeochemistry quantification using streambed photos. The grain size data are extracted for each photo using You Look Only Once (YOLO), a pre-trained object detection model. This data package was originally published in October 2023. It was updated August 2025 (v2; new and modified files). File and folder names were not revised to indicate changes. See the change history section in the readme for more details. Please see flmd.csv for a list of all files contained in this data package and descriptions for each. Please see dd.csv for a data dictionary that defines the column headers of .csv files in the data package. This dataset is comprised of one data folder containing (1) file-level metadata; (2) data dictionary; (3) readme; and (4) six subfolders. Subfolders 1 to 4 include the training, validation, testing, and prediction data. Subfolder 5_Summary includes the summary results of different combinations of training, validation, testing, and prediction data. Subfolder 6_SupplementalData includes additional data downloaded from public sources (Kaufman et al., 2023a; Kaufman et al., 2023b; Garefalakis et al., 2023; Mair et al., 2024; https://github.com/river-corridors-sfa/Geospatial_variables). In total, the data package includes 110 folders and 44,283 files. These files include 9,047 .jpg photos, 1 .png photo, 3 .tif photos; 26,639 photo labels and individual grain sizes and probability from AI (.txt); 8,447 grain size distribution data (.dat); and 126 CSV files for results summary, and 14 required metadata files (.xlsx). The summary CSV files contain 68 columns and approximately 2,200 rows that represent photo names, site locations, recording time, GPS coordinates, grains sizes (D10, D50, D60, and D84), number of grains, and additional hydro-biogeochemical data such as water depth, flow velocity, Manning’s coefficient, friction factor, hydraulic conductivity, permeability, streambed interstitial velocity magnitude, mass transfer rate, and nitrate uptake velocity. The photos were obtained from 75 sites in the Yakima River Basin and the Columbia River shorelines, and other associated data from samples and sensors obtained when the photos were taken are publicly available (Fulton et al. 2022; Grieger et al. 2023). All files are .csv, .txt, .dat, .jpg, or .pdf. We acknowledge the Yakama Nation as owners and caretakers of the lands where we collected some of these data. We thank the Confederated Tribes and Bands of the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate sample collection and optimization of data usage according to their values and worldview.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Model associated with: "Thermodynamic control on the decomposition of organic matter across different electron acceptors"

This model data package is associated with the publication “Thermodynamic control on the decomposition of organic matter across different electron acceptors” submitted to Soil Biology and Biochemistry (Zheng et al., 2023; https://doi.org/10.1016/j.soilbio.2024.109364).In this research, a thermodynamic modeling framework is built to flexibly incorporate both organic matter (OM) molecules and electron acceptors for estimating potential free energy release from various redox reactions and to further predict reaction rates based on Microbial Transition State Theory. The model package includes scripts for thermodynamic modeling and postprocessing. Input Fourier-transform ion cyclotron resonance (FTICR) data are from a previous experimental study (Boye et al., 2018), and model outputs are free energy predictions and stoichiometric coefficients associated with all possible redox reactions.This data package is associated with the project GitHub repository found at MM_bioenergetic_modeling.This data package contains four folders (Input_FTICR, Model, Output, and Output_processing), a file-level metadata (FLMD) csv, and a data dictionary (dd) csv. Please see Zheng_bioenergetic_modeling_flmd.csv for a list of all files contained in this data package and descriptions for each. The Zheng_bioenergetic_modeling_dd.csv file describes the csv column headers. The “Model” folder contains scripts to run energy balance calculations for each electron acceptor. The “Output” folder contains csv files with stoichiometric information from model simulations. And the "Output_processing" folder contains scripts for reaction rate calculations and to generate plots.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Data, scripts, and figures associated with a manuscript studying impact of climate and topography on post-fire vegetation recovery.

This data package is associated with the publication “Impact of Topography and Climate on Post-fire Vegetation Recovery Across Different Burn Severity and Land Cover Types through Machine Learning” submitted to Remote Sensing of Environment (Zahura et al. 2023). In this research, a machine learning algorithm, random forest (RF), was utilized to examine the impact of climate and topography on post-fire vegetation recovery. We used enhanced vegetation index (EVI) to examine varying burn severity and land cover types. The data package includes the input files for RF model training, outputs from model predictions and analysis, and python scripts to run the model, analyze the results to understand model performance and interpretability, and plot manuscript figures. This data package contains three folders (Data, Scripts, and Figures), a file-level metadata (FLMD) csv, and a data dictionary (dd) csv. Please see Postfire_recovery_flmd.csv for a list of all files contained in this data package and descriptions for each. The data dictionary (Postfire_recovery_dd.csv) describes the csv column headers. The “Data” folder provides all the inputs and outputs to train the RF model, evaluate performance, and interpret predictions. The “Scripts” folder contains python scripts and jupyter notebooks for model training and result analysis. The “Figures” folder includes the figures used in the manuscript in “.png” and “.jpg” format.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Data and scripts associated with “Allometric scaling of hyporheic respiration across basins in the Pacific Northwest USA"

This data package is associated with the publication “Allometric scaling of hyporheic respiration across basins in the Pacific Northwest USA” submitted to JGR-Biogeosciences (Regier et al. 2025).This study used reach-scale modeled estimates of hyporheic aerobic respiration made by the River Corridor Model (Fang et al. 2020) and watershed characteristics across the Willamette and Yakima River basins to explore potential allometric scaling (i.e., power-law relationships between size and function) of cumulative hyporheic respiration across catchment-to-basin scales. Scaling was explored quantitatively via the R2, slope, and y-intercept of relationships between cumulative hyporheic respiration and watershed area, divided into hyporheic exchange flux (HEF) quantiles. We also explored relationships between allometric scaling and other watershed characteristics through linear regression, spatial patterns, and mutual information analyses. Our results also suggest variability of hyporheic respiration allometry for middle exchange flux quantiles, and in relation to land-cover. Our findings provide initial evidence that allometric scaling may be useful for predicting hyporheic biogeochemical dynamics across watersheds from reach to basin scales. This data package is associated with the GitHub repository found at https://github.com/peterregier/rc_wrb_yrb_scaling. The data package is organized into several key directories. The “data” folder contains multiple CSV files, including landscape heterogeneity, scaling analysis, and watershed boundary data. The “figures” folder has all figure files in both PDF and PNG formats. Core analysis scripts and figure generation scripts are in the “scripts” directory, systematically numbered for sequential execution. The root directory includes essential project files; please see the file ending in “flmd.csv” for a list and description of all files contained in this data package and the file ending in “dd.csv” for data dictionaries used to describe tabular column headers.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

RTN-045: Guidelines for User Tutorials

This document defines the guidelines, principles, and formats for user-facing tutorials that demonstrate how to use the Rubin Science Platform (RSP) to analyze data from the Legacy Survey of Space and Time (LSST). All Rubin staff and the broader science community should use these guidelines when contributing to the sets of Jupyter Notebook or documentation-based tutorials maintained by the Rubin Community Science team (CST).

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Machine Learning for Materials Scientists: An Introductory Guide toward Best Practices

This Methods/Protocols article is intended for materials scientists interested in performing machine learning-centered research. Herein, we cover broad guidelines and best practices regarding the obtaining and treatment of data, feature engineering, model training, validation, evaluation and comparison, popular repositories for materials data and benchmarking data sets, model and architecture sharing, and finally publication. In addition, we include interactive Jupyter notebooks with example Python code to demonstrate some of the concepts, workflows, and best practices discussed. Overall, the data-driven methods and machine learning workflows and considerations are presented in a simple way, allowing interested readers to more intelligently guide their machine learning research using the suggested references, best practices, and their own materials domain expertise.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Cancer genomics predicts disease relapse and therapeutic response to neoadjuvant chemotherapy of hormone sensitive breast cancers

Several studies provide insight into the landscape of breast cancer genomics with the genomic characterization of tumors offering exceptional opportunities in defining therapies tailored to the patient’s specific need. However, translating genomic data into personalized treatment regimens has been hampered partly due to uncertainties in deviating from guideline based clinical protocols. Here we report a genomic approach to predict favorable outcome to treatment responses thus enabling personalized medicine in the selection of specific treatment regimens. The genomic data were divided into a training set of N = 835 cases and a validation set consisting of 1315 hormone sensitive, 634 triple negative breast cancer (TNBC) and 1365 breast cancer patients with information on neoadjuvant chemotherapy responses. Patients were selected by the following criteria: estrogen receptor (ER) status, lymph node invasion, recurrence free survival. The k-means classification algorithm delineated clusters with low- and high- expression of genes related to recurrence of disease; a multivariate Cox’s proportional hazard model defined recurrence risk for disease. Classifier genes were validated by Immunohistochemistry (IHC) using tissue microarray sections containing both normal and cancerous tissues and by evaluating findings deposited in the human protein atlas repository. Based on the leave-on-out cross validation procedure of 4 independent data sets we identified 51-genes associated with disease relapse and selected 10, i.e. TOP2A, AURKA, CKS2, CCNB2, CDK1 SLC19A1, E2F8, E2F1, PRC1, KIF11 for in depth validation. Expression of the mechanistically linked disease regulated genes significantly correlated with recurrence free survival among ER-positive and triple negative breast cancer patients and was independent of age, tumor size, histological grade and node status. Importantly, the classifier genes predicted pathological complete responses to neoadjuvant chemotherapy (P < 0.001) with high expression of these genes being associated with an improved therapeutic response toward two different anthracycline-taxane regimens; thus, highlighting the prospective for precision medicine. Our study demonstrates the potential of classifier genes to predict risk for disease relapse and treatment response to chemotherapies. The classifier genes enable rational selection of patients who benefit best from a given chemotherapy thus providing the best possible care. The findings encourage independent clinical validation.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

LDM-612: Plans and Policies for LSST Alert Distribution

A major product of the nightly processing of LSST images is a world-public stream of alerts from transient, variable, and moving sources. Science users will access these alerts through community brokers or through a simple filtering service provided by LSST. This document provides a guide to the plans and policies for the alert distribution system to aid science users, broker developers, funding agencies, and LSST Project personnel. It describes the components of the alert distribution system and the data rights required to access specific scientific products. It provides guidelines for organizations developing community brokers and describes the planned capabilities of the LSST simple alert filtering service and Science Platform to aid science users in planning for LSST science.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1972

Shuttle/Agena study. Volume 2, part 2: Agena tug configurations, Shuttle/Agena interface, performance, safety, cost

An evaluation of the compatibility of the space shuttle and Agena rocket vehicle was conducted. The Agena space tug configuration design is described in terms of the total vehicle system as well as the individual subsystems and major assemblies and components. The complete interface between the Agena space tug and the space shuttle orbiter is defined for in-flight and ground operations. The derivation and design of an evolutionary stage is also presented. This vehicle conforms to the same guidelines and interface requirements as the Agena space tug. Performance data developed for both vehicles for each of the three study baseline missions are included.

Source record↗

NASA NTRS1973

Terrestrial Environment (Climatic) Criteria Guidelines for Use in Aerospace Vehicle Development, 1973 Revision

Guidelines are provided on probable climatic extremes and terrestrial environment data applicable to space vehicle and associated equipment design and development. Operational criteria for ground support sites are emphasized.

Glenn E Daniels↗

NASA NTRS1981

A review of unsteady turbulent boundary-layer experiments

The essential results of a comprehensive review of existing unsteady turbulent boundary-layer experiments are presented. Different types of unsteady flow facilities are described, and the related unsteady turbulent boundary-layer experiments are cataloged and discussed. The measurements that were obtained in the various experiments are described, and a complete list of experimental results is presented. All the experiments that measured instantaneous values of velocity, turbulence intensity, or turbulent shear stress are identified, and the availability of digital data is indicated. The results of the experiments are analyzed, and several significant trends are identified. An assessment of the available data is presented, delineating gaps in the existing data, and indicating where new or extended information is needed. Guidelines for future experiments are included.

Carr, L. W.↗

NASA NTRS1981

A review of unsteady turbulent boundary-layer experiments

Carr, L. W.↗

NASA NTRS1985

Galileo internal electrostatic discharge program

The Galileo spacecraft which will orbit Jupiter in 1988 will encounter a very harsh environment of energetic electrons. These electrons will have sufficient energy to penetrate the spacecraft shielding, consequently depositing charges in the dielectric insulating materials or ungrounded conductors. The resulting electric field could exceed the breakdown strength of the insulating materials, producing discharges. The transients produced from these Internal Electrostatic Discharges (IESD) could, depending on their relative location, be coupled to nearby cables and circuits. These transients could change the state of logic circuits or degrade or even damage spacecraft components, consequently disrupting the operation of subsystems and systems of the Galileo spacecraft during its expected mission life. An extensive testing program was initiated for the purpose of understanding the potential threats associated with these IESD events. Data obtained from these tests were used to define design guidelines.

Leung, P. L.↗

NASA NTRS1985

Network operating system

Long-term and short-term objectives for the development of a network operating system for the Space Station are stated. The short-term objective is to develop a prototype network operating system for a 100 megabit/second fiber optic data bus. The long-term objective is to establish guidelines for writing a detailed specification for a Space Station network operating system. Major milestones are noted. Information is given in outline form.

Source record↗