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At least 199 records · Page 11

SetGo: Metadata Readiness for Scientific AI Datasets

Scientific datasets intended for AI use require both computational readiness for model training and metadata readiness for discovery, sharing, and reuse. The Readiness Engine for Data Integration (REDI) addresses computational readiness, but no corresponding tool evaluates whether a dataset’s metadata are sufficiently complete, governed, and standards-compliant for publication and agent-based consumption. Existing FAIR assessors operate only on published repository records, and no single system covers FAIR compliance, licensing, provenance, governance, reproducibility, and catalog readiness together. We present SetGo, an open-source Python toolkit that assesses and repairs metadata readiness across these six dimensions before a dataset is published or archived. Applied to four scientific corpora, SetGo surfaces deficiencies that general-purpose tools do not detect: ERA5 climate metadata scores 4% on ACDD 1.3 compliance; materials datasets fail OPTIMADE species-definition requirements; and PDB-derived proteomics data carries licensing terms incompatible with standard SPDX identifiers. Guided enrichment raises overall FAIR scores from 52–57% to 81–91%, and a single setgo publish command pushes to Hugging Face Hub, CKAN, or OpenMetadata with ML Commons Croissant 1.0 metadata sidecars. To support interactive and automated workflows, SetGo integrates with coding agents powered by large language models (LLMs) through a /setgo skill that enables natural-language execution of the full assess–enrich–publish loop, with user involvement limited to supplying missing metadata values.

Wilkinson, Sean [ORNL] (ORCID:0000000214437479)↗

pySMARTS: SMARTS Python Wrapper (Simple Model of the Atmospheric Radiative Transfer of Sunshine)

The pySMARTS module contains functions for calling SMARTS: Simple Model of the Atmospheric Radiative Transfer of Sunshine, from NREL, developed by Dr. Christian Gueymard. SMARTS software can be obtained from: https://www.nrel.gov/grid/solar-resource/smarts.html Users will be responsible to obtain a copy of SMARTS from NREL, honor it's license, and download the SMART files into their PVLib folder. This wrapper is shared under a BSD-3-Clause License, and was originally coded in Matlab by Juan Russo (2001), updated and ported to python by Silvana Ayala (2019-2020).

Ayala Pelaez, Silvana↗

Equilipy

There is high demand for high-throughput calculations of phase equilibria based on the CALPHAD method (CALculation of PHAse Diagram). High-throughput calculations are possible through HPC, currently by a commercial program called Thermo-Calc. However, the number of nodes/processors are limited to the number of purchased license (16 processors per license). This program provides a toolkit for high-throughput calculations of phase equilibria by the CALPHAD method. The program is prepared for Python environment, so that it can be easily installed and used together with other open-source programs. The program can be run in supercomputer.

Kwon, Sunyong [Oak Ridge National Laboratory (ORNL↗

Python package for machine-readable access to PDG data (PDG Python API) v0.1

This Python package implements a high-level interface to access the data published by the Particle Data Group (PDG) in the Review of Particle Physics (the "Review"). The Particle Data Group is an international collaboration led by the PDG group at LBNL. The PDG summarizes the established knowledge in the field of particle physics in a single publication, the Review of Particle Physics. The Review is published and updated online (see https://pdg.lbl.gov) each year, and published in a scientific journal every other year. It is currently licensed under a CC BY-NC 4.0 license. In 2021 PDG was designated by the Office of Science as a SC PuRe Data Resource. The Review is one of the most highly cited publications in the field of particle physics. The PDG Python API is part of PDG's efforts to make all data provided in the Review available in machine-readable format. This data includes the PDG world averages (or best limits) on particle masses, widths or lifetimes, branching fractions, magnetic moments, form factors, coupling constant ratios, and searches, as well as particle quantum numbers. It also includes detailed information on how PDG arrived at its averages, such as e.g. tables of published measurements with comments and footnotes, information on the consistency of published measurements, and detailed fit information.

Beringer, Juerg↗

pnnl-predictive-phenomics/csc052cyc

Using the genome annotation as input, Pathway-tools generates a database containing all the information that can be inferred from the genome. The Pathway/Genome database (PGDB) can subsequently be curated manually Licensed under the CC-BY-4.0 license

Zucker, Jeremy [Pacific Northwest National Laborat↗

pnnl-predictive-phenomics/csc031cyc

Organism-specific Pathway/Genome databases enable the analysis, visualization and interrogation of metabolism, regulation, and genetics. Licensed under the CC-BY-4.0 license

Zucker, Jeremy [Pacific Northwest National Laborat↗

pnnl-predictive-phenomics/csc009cyc

Using the genome annotation as input, Pathway-tools generates a database containing all the information that can be inferred from the genome. The Pathway/Genome database (PGDB) can subsequently be curated manually. Licensed under the CC-BY-4.0 license

Zucker, Jeremy [Pacific Northwest National Laborat↗

pnnl-predictive-phenomics/csc043cyc

Organism-specific Pathway/Genome databases enable the analysis, visualization and interrogation of metabolism, regulation, and genetics. Licensed under the CC-BY-4.0 license

Zucker, Jeremy [Pacific Northwest National Laborat↗

PyJMAK: An Open-Source Python Toolkit for Modeling Solid-State Metallurgical Phase Transformations

Accurate prediction of metallurgical phase transformations is an essential basis for autonomous optimization and rapid part qualification. Several methods can be used to estimate the evolution of phase fractions such as JMAK kinetics-based models, phase-field models, thermodynamic models, and data-driven machine learning models. Thermodynamic and phase-field-based methodologies solve multiphysics equations requiring numerous calibration parameters and significant computational resources. As a result, the computation domain is limited to a point or on order of micron-meters. The data-driven models rely on large datasets from experiments and simulations. While the JMAK model only provides information about phase fraction evolution, it can predict this evolution in near real-time using thermal history and thermodynamic data without restriction on the domain. JMAK models have been popularly used by researchers to model phase transformations occuring during additive manufacturing or over arbitrary temperature profiles. Commercial proprietary software such as Abaqus and Ansys or closed-source in-house implementations offer the ability to model JMAK based kinetics to predict phase transformation. However, these software packages are not open-source or freely available for use and development in conjunction with manufacturing machines, sensors, and machine learning algorithms. In addition, the use of the model is restricted by a license token. In contrast, given temperature profiles at multiple points in the domain, this Python-based PyJMAK model can compute phase evolution in parallel due to its stand-alone modular, voxel-based structure, and it can be executed on high-performance computing resources without any license restrictions.

Prabhune, Bhagya [Oak Ridge National Laboratory (O↗

Profile Images and Annotations for Vehicle Re-identification Algorithms (PRIMAVERA)

This dataset contains 636,246 profile images of vehicles representing 13,963 unique vehicles. The data was collected by a set of roadside sensors over the course of three years. Each time a vehicle passed by one of the sensors, a series of images was collected. The images were processed to detect and localize each vehicle, and a license plate reader collocated with the sensor was used to provide a unique ID for the vehicle. Actual license plate numbers have been obfuscated by replacing with an arbitrary numerical ID for each vehicle. After localizing the vehicle in each image, the original RGB image was rotated, scaled, and shifted to produce a new RGB image of size 234x234 pixels such that the outermost two wheels are located at predetermined pixel locations in the image. In this way, all vehicle images are aligned to one another. This registration process occasionally results in a portion of certain vehicles being cutoff at the edges of the image. The dataset has been partitioned into two sets called training and validation. The two partitions no common vehicles, i.e., a vehicle present in one partition is guaranteed not to be present in the other. In this way, an algorithm can be validated against a set of new vehicles that were not seen during the training process. The training set contains 543,926 images from 64,440 vehicle passes representing 11,918 unique vehicles, while the validation set contains 92,320 images from 10,991 vehicle passes representing 2,045 unique vehicles. Vehicle images are organized by directories corresponding to unique vehicles. The file naming scheme is as follows: veh_{vehID}_tr_{passID}_{frameID}_{elevation}_{timeofday}.jpg where {vehID} is the vehicle ID (unique across the entire dataset), {passID} is an identifier for each tracked vehicle pass (unique across the entire dataset), {frameID} is the index of the frame within the given vehicle pass starting at 0, {elevation} is a two-letter string indicating whether the sensor was elevated (el) or at ground-level (gl), and {timeofday} is a two-letter string indicating whether the image was captured during daytime (dt) or nighttime (nt).

image↗

SCALE Non-LWR Models for NRC Volume 3

This dataset contains input and result files of computational simulations with the SCALE code system. The simulations cover radionuclide inventory and reactivity analyses of various advanced reactors. Users wanting to reproduce results from this dataset are required to obtain a license to the SCALE code system for which details on the distribution can be found here: https://www.ornl.gov/scale/releases

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

SCALE Non-LWR Models for NRC Volume 5

This dataset contains input and result files of computational simulations with the SCALE code system. The simulations cover radionuclide inventory generation, criticality calculations, and dose rate/shielding analyses of various advanced reactors. Users wanting to reproduce results from this dataset are required to obtain a license to the SCALE code system for which details on the distribution can be found here: https://www.ornl.gov/scale/releases

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

SCALE HTR-PROTEUS Benchmark Model

This dataset contains input and result files of computational simulations of HTR-PROTEUS benchmark with the latest version of SCALE code system. The simulations cover criticality control rod worth calculations as well as sensitivity analysis and uncertainty quantification. Users wanting to reproduce results from this dataset are required to obtain a license to the SCALE code system for which details on the distribution can be found here: https://www.ornl.gov/scale/releases

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

3D Modeling of Safety-Related Upgrade Pilot Project

Constellation Energy and the United States Department of Energy (DOE) have established a public/private partnership to implement a pilot digital upgrade to replace legacy analog, safety-related reactor protection and emergency safety feature actuation systems (RPS/ESFAS) with modern digital systems. This effort is occurring at Constellation’s Limerick Generating Station. This project is being performed in accordance with industry processes that have been adapted to better support digital upgrades. These processes include IP-ENG-001, Standard Design Process, NISP-EN-04, Standard Digital Engineering Process and Electric Power Research Institute Report 3002011816, Digital Engineering Guide. The Light Water Reactor Sustainability (LWRS) Program at the Idaho National Laboratory (INL) has been supporting this effort. Latest INL HFE efforts in support of this project have focused on definition and implementation of the Human Factors Engineering (HFE) Program in support of Constellation design and related licensing efforts. This paper will present the development of the HFE 3D modeling execution of the Main Control Room safety upgrades. New equipment and modifications are planned for upgrading the new safety systems. 3D modeling allows for visualization of the new equipment and modifications to be shared with engineering and design teams for evaluation and review. Anthropometric considerations such as sight lines and functional reach can be evaluated directly using the 3D model. This effort has helped to provide visualizations for additional review with operations personnel and project stakeholders.

3D Modeling↗

Development of Cable Aging Acceptance Criteria for Nuclear Facilities

The aging of nuclear power plant electrical cables has been the subject of substantial research and development (R&D) projects in the nuclear industry, national and international laboratories, universities, and vendor organizations for several years. More specifically, these R&D efforts were conducted to develop equipment and techniques for assessing age-related degradation of in-service cables in nuclear facilities including power plants, research reactors, waste facilities and fuel fabrication plants. In recent years, cable R&D efforts in the nuclear arena have also included work to develop new cables for the next generation of reactors. Over time, exposure to harsh environmental conditions such as elevated temperatures, radiation, and humidity in nuclear installations can result in age-related degradation and failure of cables. In the current fleet of nuclear reactors, there are thousands of miles of cabling installed in each plant and many of these cables are exposed to these harsh environmental conditions. For these cables, the jacket and insulation polymers harden and become brittle over time, making them more susceptible to crack formation and growth, moisture intrusion, and other mechanisms that can lead to cable failure. Moreover, the existing U.S. fleet of 98 nuclear reactors has an average operating age of 38 years. Many of these nuclear power plants have applied for and almost all have been granted regulatory approval for license renewals to operate for 60 years, 20 years beyond their original 40-year life. Further, subsequent license renewals (SLRs) are underway with a few commercial nuclear power sites already approved to operate up to 80 years. As these reactors pursue operating life extensions, utilities must find a way to address issues associated with age-related degradation of cables. Designers of small modular reactors are also in need of technologies to evaluate the performance of cables that will be installed in harsher environments (e.g. higher temperatures, radiation doses, dose rates, etc.) than those present in current-generation reactors. Today, a variety of cable condition monitoring (CM) techniques have been developed and successfully used in nuclear facilities. These techniques are used to identify age-related degradation and assess the condition of cables to determine if their performance characteristics have changed with age. However, objective criteria must be developed for these CM tests to help quantify cable condition and thereby develop repair and replacement schedules. With operating life extending to 80 years and more SLRs on the horizon, both nuclear facilities and regulators need an objective means to determine the aged condition of cables.

36 MATERIALS SCIENCE↗

INTEGRATED RISK ASSESSMENT OF DIGITAL I&C SAFETY SYSTEMS FOR NUCLEAR POWER PLANTS

Upgrading the existing analog instrumentation and control (I&C) systems to state-of-the-art digital I&C (DI&C) systems provides the foremost means to improve performance and reduce costs for existing light-water reactors (LWRs). However, qualification of digital technologies remains a challenge?especially the issue of software common cause failure (CCF), which has been difficult to address. Existing analyses of CCFs in I&C systems mainly focus on hardware failures. With the application and upgrading of new DI&C systems, software CCFs due to design flaws might become a potential threat to plant safety, considering that most redundancy designs use similar digital platforms or software in their operating and application systems. With complex multi-layer redundancy designs to meet the single failure criterion, these I&C safety systems are of particular concern in U.S. Nuclear Regulatory Commission (NRC) licensing procedures. In 2019, the Risk-Informed Systems Analysis (RISA) Pathway of the U.S. Department of Energy?s (DOE?s) Light Water Reactor Sustainability (LWRS) Program initiated a project to develop a risk assessment strategy for delivering a strong technical basis to support effective, licensable, secure DI&C technologies for digital upgrades/designs. An integrated risk assessment for the DI&C (RADIC) process was proposed for this strategy to identify potential key digital-induced failures, implement reliability analyses of related digital safety I&C systems, and evaluate the unanalyzed sequences introduced by these failures (particularly software CCFs) at the plant level. This paper summarizes these RISA efforts in the risk analysis of safety-related DI& systems at Idaho National Laboratory.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Development of Principal Design Criteria of the Fast Modular Reactor

General Atomics Electromagnetic Systems (GA-EMS) is developing a 50-megawatt electric (MWe) helium-cooled Fast Modular Reactor (FMR). The project has been selected by the U.S. Department of Energy (DOE) for Advanced Reactor Concepts-20 (ARC-20). The long-term goal of the project is to design, license, and commercialize the FMR plant by the mid-2030s. Early engagement with the U.S. Nuclear Regulatory Commission (NRC) is an important step for the developers to license the advanced reactors including the FMR. As an effort to support the design and the preapplication regulatory engagement plan, GA-EMS is developing Principal Design Criteria (PDC) applicable to the FMR design.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗