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At least 289 records · Page 16

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DOE OSTI2026

Precision of ENDF and ENDL Formatted Data Files

The purpose is to ensure that today’s processing codes produced output to meet today’s accuracy needs. Since 1958 ENDL and about 1965 ENDF have each used a text format to define nuclear and atomic data in 11 columns for each data field. When these formats originated this was judged to be adequate to reproduce the accuracy of data at the time and to meet the needs of our applications. When these formats originated the dominant computer language of the day was FORTRAN and if written using an E11.4 format it would include only 4 or 5 digits of precision, e.g., 0.1234E-03 or 1.2345E-02, varying from one computer/system to another the result was not even unique. In the case of ENDF the 4 digit precision was not even adequate to uniquely define the atomic weight of the target, e.g., U238 = 92238 = 0.9224E+5 = WRONG! From its inceptions the ENDF format had a precision problem. One of my first tasks when in 1967 fresh out of graduate school I joined what later became the National Nuclear Data Center (NNDC), was to address this precision problem. By working with ENDF producers and users throughout the U.S. we verified, 1) E or D is not required to define FORTRAN readable numbers, e.g., E+4 or +4 are both o.k. 2) With ENDF energy eV and cross section in barns, 2 digit exponents are almost never required. 3) Since energy is never negative we could use the first of the 11 columns for a digit. Knowing this allowed us to produce ENDF/B-II to 6 or 7 digit precision, e.g., blank, decimal point, 2 or 3 digit exponent, e.g., ^1.23456-12 or ^1.234567-3. Below is an example of the actual ENDF/B-II data released. Note, the date 1970 and the atomic weight, ZA, uniquely defined to 6-digit accuracy, ^9.22350+ 4.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

Knowledge Graph for End-to-End Traceability of an Integrated Human-Earth System Model

Integrated human-Earth system models inform energy-water-land system dynamics and policies, yet their results are difficult to trace through input-data, model structure, scenario configurations, and solved outputs. Because this information is siloed across disconnected artifacts, process-based IAMs have historically lacked a unified, queryable representation. Such lack of traceability prevents researchers from systematically isolating the multi-sector drivers of complex outcomes (such as tracing water-scarcity results back to distant energy-system dynamics) or conducting holistic uncertainty attribution across hundreds of interacting parameters. To address this concern, our work documents the software engineering process of a knowledge graph that unifies these four layers for the Global Change Analysis Model (GCAM-USA_Reference scenario, GCAM v9.1). The graph was built as a relational property graph in DuckDB from the run’s own artifacts: the input-preparation dependency map (gcamdata chunk map), the model’s XML input files, the run configuration, and the results database (BaseX), successfully mapping the model’s declared structure. The resulting graph comprises 204,321 nodes and 1,687,814 edges across 16 node types and 15 edge types, with approximately 16.3 million time-series values stored separately to maintain structural efficiency. To ensure representation fidelity, every edge carries an epistemic-status annotation recording the warrant for the relationship (structural, provenance, dependency, or model-derived), and a machine-readable provenance ledger classifying the origin of every schema element. Evaluation against a fixed five-benchmark suite with locked baselines reports zero structural orphans, zero dangling edge endpoints, and 100% of output-producing technologies traceable to raw input files. Two interactive interfaces present the graph, including a serverless browser application built on DuckDB-Wasm. By establishing the first end-to-end provenance framework for an IAM, this work enables researchers and scientists to systematically audit complex policy scenarios, debug model structures, and trace policy-relevant outputs to their data origins in real time.

Artifical Intelligence↗

DOE OSTI2026

Generalizable Web User Interface for Scalable and Streamlined Deployment of Building Energy Management Systems in Small and Medium-Sized Commercial Buildings

Small and medium-sized commercial buildings (SMCBs) comprise 94% of US commercial buildings yet face significant barriers to implementing building energy management systems despite advances in smart device technology. Existing solutions present critical limitations: cloud-based API solutions simplify deployment but create vendor lock-in constraints; commercial integrated software solutions ensure compatibility via standardized protocols but require substantial cost and technical expertise; open-source IoT platforms offer cost-effective vendor independence but provide insufficient standardized protocol support for commercial building automation. This research presents a generalizable web user interface framework that bridges the gap between evolving smart device capabilities and lagging software infrastructure for SMCBs. The proposed system integrates VOLTTRON open-source middleware with an automated configuration converter that transforms unified specifications written in YAML, a human-readable data-serialization format, into system-specific files, streamlining manual setup processes. The vendor-agnostic architecture supports industry-standard protocols (BACnet and Modbus) and semantic building models while providing adaptive web interfaces that dynamically adjust to various building configurations. Demonstrations through simulation-based testing and a field deployment show automatic interface adaptation across heterogeneous HVAC systems and multizone monitoring. The automated configuration converter also substantially reduces labor-intensive setup.

Chung, Jihoon [ORNL] (ORCID:0000000184880815)↗

DOE OSTI2023

WFIP3 - BLOC site - CU Profiling Lidar (Windcube v1) / Raw data

This dataset is from WFIP3 BLOC site WindCube v1 Profiling Lidar / Raw Data from CU Boulder. Please note that the .sta files are in human-readable text, while the .rtd files require some processing software that is not easily automated. We plan to process the .rtd data following the campaign, but if you wish to try it sooner, we can make it available upon request.

17 WIND ENERGY↗

DOE OSTI2023

WFIP3 - BLOC site - CU Profiling Lidar (Windcube v1) / Raw data

17 WIND ENERGY↗

DOE OSTI2023

WFIP3 - BLOC site - CU Profiling Lidar (Windcube v1) / Raw data

17 WIND ENERGY↗

DOE OSTI2021

Core-Collapse Supernovae: From Neutrino-Driven 1D Explosions to Light Curves and Spectra.

We present broadband light curves and spectra for a suite of core-collapse supernova models computed self-consistently in spherical symmetry within the PUSH framework. We use the open source LANL code SuperNU to compute light curves and spectra. This data release covers only the electromagnetic counterparts of the models, not the models themselves, which were produced at North Carolina State University and used with permission. We follow spectra from the photospheric to the nebular phase. The data is released as machine-readable ASCII tables, with luminous flux tabulated by wavelength (or band for the broadband light curves) vs. time.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Nucleic Acid-Based Detection Protease Activity

Proteases include clinically relevant markers for clotting disorders, certain cancers as well as toxins. Assays for protease activity often use designed peptides mimicking natural substrates and detection with colorometric and fluorescence-based detection that is difficult to multiplex without expensive and resource demanding instruments. This work demonstrates detection of proteolytic activity using PCR and sequencing-readable reporter molecules. The assay development focused on binding the constructed peptide-oligonucleotide chimera to immobilized streptavidin. Thrombin, an essential component of the clotting cascade, was used as a model system for testing peptide substrate recognition and release of a designed oligonucleotide for detection. Detection of protease activity was demonstrated in a concentration-dependent manner using MALDI-MS, RT-PCR and DNA sequencing.

Wunschel, David S [Pacific Northwest National Labo↗

DOE OSTI2020

Introduction to Metadata and Ontologies: Everything You Always Wanted to Know About Metadata and Ontologies (But Were Afraid to Ask)

Metadata are contextual data about your experimental data. Metadata are the who, what, when, where, and why of these data. Metadata puts these data into context. In microbiome research, metadata includes information about the sample: when it was collected, where it was collected from, what kind of sample it is, and what were the properties of the environment or experimental condition from which the sample was taken. Information about sample processing is also metadata: methods used to extract and purify molecules (e.g., DNA) from the sample, type of DNA sequencing or other ’omics analyses done, and where the raw experimental data are located. This documentation includes information on the following topics: What are metadata? What kinds of metadata are there? Why are metadata important? Why should metadata be standardized? Why should metadata be machine readable? What is an ontology? Why are ontologies important? What are some examples of ontologies? The documentation also includes further resources on metadata guides and tools and tips for formatting metadata for maximum utility.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

U.S. Solar Siting Regulation and Zoning Ordinances

A machine readable collection of documented solar siting ordinances at the state and local (e.g., county, township) level throughout the United States. The data were compiled based on a locality-by-locality review zoning ordinances after completing an initial review of scholarly legal articles. The citations for each ordinance are included in the spreadsheet.

Array↗

DOE OSTI2020

A Guide to Conquer the Biological Network Era Using Graph Theory

Networks are one of the most common ways to represent biological systems as complex sets of binary interactions or relations between different bioentities. In this article, we discuss the basic graph theory concepts and the various graph types, as well as the available data structures for storing and reading graphs. In addition, we describe several network properties and we highlight some of the widely used network topological features. We briefly mention the network patterns, motifs and models, and we further comment on the types of biological and biomedical networks along with their corresponding computer- and human-readable file formats. Finally, we discuss a variety of algorithms and metrics for network analyses regarding graph drawing, clustering, visualization, link prediction, perturbation, and network alignment as well as the current state-of-the-art tools. We expect this review to reach a very broad spectrum of readers varying from experts to beginners while encouraging them to enhance the field further.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Ontology-Enriched Specifications Enabling Findable, Accessible, Interoperable, and Reusable Marine Metagenomic Datasets in Cyberinfrastructure Systems

Marine microbial ecology requires the systematic comparison of biogeochemical and sequence data to analyze environmental influences on the distribution and variability of microbial communities. With ever-increasing quantities of metagenomic data, there is a growing need to make datasets Findable, Accessible, Interoperable, and Reusable (FAIR) across diverse ecosystems. FAIR data is essential to developing analytical frameworks that integrate microbiological, genomic, ecological, oceanographic, and computational methods. Although community standards defining the minimal metadata required to accompany sequence data exist, they haven’t been consistently used across projects, precluding interoperability. Moreover, these data are not machine-actionable or discoverable by cyberinfrastructure systems. By making ‘omic and physicochemical datasets FAIR to machine systems, we can enable sequence data discovery and reuse based on machine-readable descriptions of environments or physicochemical gradients. In this work, we developed a novel technical specification for dataset encapsulation for the FAIR reuse of marine metagenomic and physicochemical datasets within cyberinfrastructure systems. This includes using Frictionless Data Packages enriched with terminology from environmental and life-science ontologies to annotate measured variables, their units, and the measurement devices used. This approach was implemented in Planet Microbe, a cyberinfrastructure platform and marine metagenomic web-portal. Here, we discuss the data properties built into the specification to make global ocean datasets FAIR within the Planet Microbe portal. We additionally discuss the selection of, and contributions to marine-science ontologies used within the specification. Finally, we use the system to discover data by which to answer various biological questions about environments, physicochemical gradients, and microbial communities in meta-analyses. This work represents a future direction in marine metagenomic research by proposing a specification for FAIR dataset encapsulation that, if adopted within cyberinfrastructure systems, would automate the discovery, exchange, and re-use of data needed to answer broader reaching questions than originally intended.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2018

A Catalog of Cool Dwarf Targets for the Transiting Exoplanet Survey Satellite

We present a catalog of cool dwarf targets (V-J>2.7, T {sub eff} ≲ 4000 K) and their stellar properties for the upcoming Transiting Exoplanet Survey Satellite (TESS), for the purpose of determining which cool dwarfs should be observed using two minute observations. TESS has the opportunity to search tens of thousands of nearby, cool, late K- and M-type dwarfs for transiting exoplanets, an order of magnitude more than current or previous transiting exoplanet surveys, such as Kepler, K2, and ground-based programs. This necessitates a new approach to choosing cool dwarf targets. Cool dwarfs are chosen by collating parallax and proper motion catalogs from the literature and subjecting them to a variety of selection criteria. We calculate stellar parameters and TESS magnitudes using the best possible relations from the literature while maintaining uniformity of methods for the sake of reproducibility. We estimate the expected planet yield from TESS observations using statistical results from the Kepler mission, and use these results to choose the best targets for two minute observations, optimizing for small planets for which masses can conceivably be measured using follow-up Doppler spectroscopy by current and future Doppler spectrometers. The catalog is available in machine readable format and is incorporated into the TESS Input Catalog and TESS Candidate Target List until a more complete and accurate cool dwarf catalog identified by ESA’s Gaia mission can be incorporated.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2018

Water Film Structure during Rupture as Revealed by MDS Image Analysis

The structure of thin water films during the rupture process was investigated by a new approach, which combines molecular dynamics simulation (MDS) with image processing analysis. The analysis procedure was developed to convert MDS trajectories to readable 3D images. The water films were studied at different thicknesses by MDS to determine the critical thickness at which the film ruptures. The potential energy of each specific film thickness during the simulation time was analyzed, and the results showed that the potential energy of stable films remained unchanged while the potential energy kept decreasing for films which ruptured during the simulation time. By applying the new procedure, the molecular porosity, which is defined as the void fraction between the volume of molecular pores in the water film and the total volume of the water film, was calculated. The results of molecular porosity for different film thicknesses during the simulation time suggested a critical molecular porosity as 49%. In other words, stable films have a molecular porosity of less than 49%. If a water film has a molecular porosity greater than 49%, rupture occurs during the simulation. This research was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences.

molecular dynamics simulation, film stability, ima↗

DOE OSTI2026

QPatLib: A community repository of measurement-based quantum computing patterns

QPatLib is a community repository of measurement‑based quantum computing (MBQC) patterns and associated metadata, intended to support reuse, benchmarking, and reproducible comparison of MBQC constructions across platforms and compilers. Patterns in QPatLib are expressed in a standardized, human‑readable measurement calculus representation. Details can be found here: https://doi.org/10.48550/arXiv.2605.12502

graph states↗

DOE OSTI2026

QPatLib v1.0 — Measurement-based quantum simulation Pauli string unitary pattern collections

This Zenodo record accompanies the paper “Scalable Measurement-Based Quantum Simulation Patterns for Benchmarking” arXiv.2605.12502 and provides QPatLib v1.0 measurement-pattern datasets in human-readable JSONL together with a ZIP archive of OpenQASM 3.0 circuits used for validation and reproducibility. The patterns and circuits implement Pauli string unitaries for benchmark cases. Cases include all possible string combinations for less than 6 qubits and strings used in Hamiltonians for certain diatomic molecules for 6 or more qubits. Format: Each pattern_*.jsonl file is containins measurement patterns for all subsets for a given model/instance and subset strategy: it begins with a preamble containing model metadata, subset definitions, provenance, and (when feasible) full-pattern test results, followed by one pattern entry per subset. Each subset entry includes a required pattern_ascii field storing the measurement pattern in the measurement-calculus/Graphix standard with signal shifting, written left-to-right in the canonical order nodes → edges → measurements (with signal dependencies) → byproduct corrections (X/Z). The circuits are included as circuit_files.zip. Patterns in this record were validated against the corresponding circuits and checked for causal flow. Codes for generating these patterns can be found at QPatLib repository on Github

Graphix↗

DOE OSTI2021

Arctic Soil Patterns Analogous to Fluid Instabilities: Supporting Data

This dataset characterizes solifluction lobe morphology and spatial patterns using pre-existing LiDAR-derived digital elevation models of 25 sites across Norway with accompanying long term climate data for each site. Data were collected as part of an effort to better understand controls on the formation of solifluction patterns and to test the idea that they are analogous to fluid instabilities. We also provide soil velocity profiles and estimates of effective viscosity from across the world, drawn from literature. They were collected to improve our understanding of the rheology of soliflucting soil. See this article for more information on the theoretical motivation behind this dataset see "Arctic soil patterns analogous to fluid instabilities" (Glade et al., 2021). Data files arranged in a hierarchy and include image files *.tif and *.png, GIS shapefiles and geopackages (*.gpkg), *.csv (with same file as *.xlsx), and *.py (Python scripts readable with a text editor). Files also bundled into *.zip files. Note (2021-10-20): unit corrections made on two files: RR.csv and snowfall.csv. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Urban Parameters LA County 100m

132 Urban parameters based on building physical dimensions and location were generated for the city of Los Angeles at 100m resolution using the NATURF model. Files are in binary format for WRF readability and in CSV for use in other models. Documentation for the NATURF model can be found at: https://github.com/IMMM-SFA/naturf/ . To use the binary file with WRF, the binary file and the index file must be placed in their own directory in WRF_GEOG and accessed in the same way NUDAPT44 would be accessed.

Land↗