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At least 271 records · Page 15

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DOE OSTI2025

OPET Firmware (Open PV Electrical Tool Firmware) [SWR-25-43]

The main application of OPET is long term performance measurements of PV devices in field or under controlled environmental conditions. This repository contains everything relating to the firmware of the OPET device including source code. If you are looking for the hardware or control software repositories, links are below: https://github.com/NREL/opet-hardware https://github.com/NREL/opet-control

McDanold, Byron [National Renewable Energy Laborat↗

DOE OSTI2024

Facile Integration of Robots into Experimental Orchestration at Scientific User Facilities

Integration of robots into scientific user facilities, such as the National Synchrotron Light Source II, improves their efficiency and capacity. Many such facilities use the opensource Bluesky project for experimental control and orchestration. However, there remains an open challenge in deploying robotic solutions at these facilities that are reconfigurable, extensible, and compatible with pre-existing software infrastructure. Herein, we introduce a framework that uses the Robotic Operating System 2 (ROS2) and Bluesky to provide extensible robotic applications, while working under the operational constraints of a large-scale user facility. We demonstrated this framework by integrating a robotic arm to pick and place a sample holder at a beamline, recording a 90% repeatability rate. This provides the groundwork for further new robotics applications at large-scale scientific user facilities that depend on Bluesky.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Implementing Ordinary Differential Equation Solvers in Rust Programming Language for Modeling Vehicle Powertrain Systems: Preprint

Efficient and accurate ordinary differential equation (ODE) solvers are necessary for powertrain and vehicle dynamics modeling. However, current commercial ODE solvers can be financially prohibitive, leading to a need for accessible, effective, open-source ODE solvers designed for powertrain modeling. Rust is a compiled programming language that has the potential to be used for fast and easy-to-use powertrain models, given its exceptional computational performance, robust package ecosystem, and short time required for modelers to become proficient. However, of the three commonly used (>3,000 downloads) packages in Rust with ODE solver capabilities, only one has more than four numerical methods implemented, and none are designed specifically for modeling physical systems. Therefore, the goal of the Differential Equation System Solver (DESS) was to implement accurate ODE solvers in Rust designed for the component-based problems often seen in powertrain modeling. DESS is a text-based software package that provides a flexible framework for building and solving systems of ODEs. This allows DESS to be included as a dependency for automotive powertrain models that require a variety of solvers and solver configurations. Seven explicit ODE solver methods have been implemented in DESS: Euler’s, Heun’s, midpoint, Ralston’s, classic Runge-Kutta, Bogacki-Shampine, and Cash-Karp. These represent five fixed-step methods and two adaptive-step methods. This paper shows that the solver implementations increase accuracy and computational efficiency compared to Euler's method when modeling a system of three thermal masses in Rust. DESS also includes features designed for modeling component-based physical systems. Users can define relationships between nodes in their system, which the package then translates into a system of equations, leading to simpler and more intuitive code. In the case of a three-thermal-mass system, the user can specify node thermal properties (e.g., thermal capacitance), how nodes are interconnected, and thermal conductance between nodes rather than providing a system of equations. The core contribution from this work is an open-source, text-based Rust package with ODE solvers for automotive powertrain modeling to support cost-free, fast, and accurate simulation.

ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2024

A Generic and Multifunctional Electromagnetic Transient Model for Grid-Following Inverters

This paper presents a generic and multifunctional electromagnetic transient (EMT) dynamic model of grid-following (GFL) inverter-based resources (IBRs) using the PSCAD software platform. The features of the model include flexibility in selecting various types and combinations of DC sources covering photovoltaic modules, battery modules, and ideal DC-source modules as well as flexibility in selecting either switching or averaged models of the inverter. This model also covers exhaustive lists of controller algorithm, including open-loop/closed-loop PQ dispatch control, DC voltage and AC terminal voltage control, and conventional current control designed in the dq-domain, the ..alpha....beta.. -domain, and the positive-/negative-sequence domain. Moreover, this model is equipped with flexibility in selecting various types of current-limiting schemes, including saturation-based and latching-based current limiters, and anti-windup protection. Also, the EMT model is agnostic to the MVA rating and is suitable for interfacing transmission systems by complying with IEEE Std. 2800. The generality in the power circuits and the multifunctional options in the operation and control of the developed EMT model make it suitable for both academia and industry to study various power system aspects, including, but not limited to, the fault behavior of GFL IBRs, the impacts on the protection system, and the transient stability of a system interfaced with large numbers of GFL IBRs.

integrated circuit modeling↗

DOE OSTI2026

KBKit: A Python Toolkit for Kirkwood–Buff Theory from Molecular Dynamics

Thermodynamic properties of liquid mixtures govern processes that range from drug delivery to energy storage, yet extracting these properties from molecular simulations remains challenging. Kirkwood–Buff (KB) theory offers a rigorous route by linking microscopic pair distribution functions to macroscopic free energies, but practical use of the theory has been hindered by two obstacles: (i) the long simulations needed to obtain well-converged Kirkwood-Buff integrals (KBIs) and (ii) the specialized corrections required to translate finite-size data to the thermodynamic limit. $\texttt{KBKit}$ is an open-source Python package that removes these barriers. It automatically computes KBIs and derived thermodynamic quantities from GROMACS input files, applies state-of-the-art finite-size corrections, and provides built-in diagnostic tools to quantify statistical uncertainty. Written with modern software-engineering practices—continuous integration, extensive unit testing, and thorough documentation—$\texttt{KBKit}$ is both reliable and easy to extend. By condensing complex KBI analysis into a few intuitive commands, $\texttt{KBKit}$ enables researchers to incorporate KB theory into routine simulation workflows and accelerate the discovery of solution-phase thermodynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Multi-system analysis of offshore geologic carbon storage: a review of open-source data science solutions

Geologic carbon storage projects are maturing worldwide and the footprint of deployment in the offshore is expanding. At present, there are ten projects in operation or that have been completed, more than 50 in construction and development, and dozens of characterization studies completed or underway. Offshore geologic carbon storage offers potential benefits over onshore geologic carbon storage. These offshore projects are generally remote in location, distant from population centers, and avoid complicated pore space rights while having abundant prospective storage potential. Some offshore fields targeted for carbon storage have comparatively fewer prior borehole penetrations except for areas that have been explored for petroleum production, minimizing potential issues such as pressure interference and infrastructure impacts. Yet offshore geologic carbon storage projects face distinctive technical and economic challenges, such as seafloor geohazards (e.g., seabed instability), expensive maritime transport, and meteorological-oceanographic conditions that can damage infrastructure and impact operations. Analytical capabilities and improved computational speeds have advanced engineering, earth and energy sciences in the wake of the arrival of modern data science over the last decade. These advancements have created an opportunity for integrated, multi-systems modeling approaches utilizing artificial intelligence and machine learning that are no longer limited by computational issues. Analytical tools developed alongside this advancement in data science can be leveraged to calibrate the potential advantages and challenges of carbon storage operations in the offshore. New methods and approaches that incorporate data science to analyze multiple aspects of engineered and natural systems can provide insights that complement the characterization and onsite engineering that traditional commercial and operational software addresses. These new methods and approaches can potentially improve the outcome of energy operations and carbon storage. Providing multi-system, science-driven data analytics enhances the knowledge base that offshore developers, operators, and regulatory bodies may draw from to improve offshore site selection and operational efficiency. Here, we provide a brief synopsis of geologic carbon storage efforts to date, an overview of the engineered and natural systems involved in offshore geologic carbon storage, and a review of publicly available, open-source, offshore and/or carbon storage related data- and science-driven tools developed by 2010 or later that are suitable for screening and assessing regions for offshore geologic carbon storage.

artificial intelligence↗

DOE OSTI2025

An Open-Source Python Package for CFD Solution Verification

Informed decision-making using computational fluid dynamics (CFD) results requires quantifying the errors and uncertainties of a simulation. Verification, validation, and uncertainty quantification (VVUQ) methods were developed to address this need and have matured. However, these VVUQ analyses are often non-trivial and require CFD analysts and practitioners to have specific skill sets. This has led to the uneven adoption of VVUQ analyses, in part, based on the availability of software tools to aid CFD analysts and practitioners. Solution verification, a procedure to evaluate the accuracy of a simulation by estimating potential errors arising from the computational model and computing the uncertainties without comparing to results from a physical system, is one of the lagging VVUQ analyses as the absence of software has forced CFD analysts and practitioners to develop their own codes or piece together incomplete software from across the internet. This work presents an opensource Python package, CFDverify, to lower the barrier of entry and fill in the technological gap in solution verification. CFDverify also provides a streamlined framework to remove some potential errors in post-processing CFD results. The hope is that CFDverify can improve the quality and quantity of CFD solution verification in scientific and research studies and attract interest in developing a communal tool. This paper describes the design, features, and an example use of CFDverify.

Weinmeister, Justin [ORNL] (ORCID:0000000160090237↗

DOE OSTI2025

MARIE: A Python-Based Framework for Comprehensive Fuel Recycling Modeling

One of the most pressing challenges to the continued deployment of nuclear energy systems is in the ultimate management and disposition of discharged fuel assemblies. While reprocessing and recovery of valuable materials from UNF assemblies has been considered as part of an overall strategy for minimization of the volume of reactor-based wastes to be managed, the deployment of commercial-scale reprocessing facilities presents an enormous economic challenge. The MARIE software package has been developed as a means of confronting this challenge. Representing components of a generic fuel reprocessing operation as individual physical processes, MARIE is designed as a modular framework intended to allow for analysis and cost-optimization for a hypothetical reprocessing facility while realistically accounting for the physical characteristics of the used fuel source term, such as decay heat, activity, and radiation dose (informing corresponding shielding requirements). Capabilities supported by MARIE include head-end operations such as fuel shearing, voloxidation, and dissolution; generic solvent extraction operations informed by available open-literature data; a suite of unit operations intended to represent electrochemical processing of used fuel assemblies (i.e., oxide reduction, electrorefining, and electrowinning); and finally, accounting for both costs and physical features of discharged waste streams, which can be used to inform follow-on analyses such as the feasibility of deep-borehole disposal of HLW. This paper presents an overview of the MARIE software capabilities, including how individual unit operations are implemented to enable a larger-scale optimization of a hypothetical reprocessing operation on aspects such as cost and recovery of valuable materials.

Skutnik, Steve [ORNL] (ORCID:000000016441135X)↗

DOE OSTI2024

via-wind (A Visual Impact Assessment Tool for Wind Turbines) [SWR-24-87]

Via-wind is an open-source tool for conducting visual impact assessments for wind turbines. It combines geographic information system (GIS) and 3D simulation methods to account for the key factors driving the visual impact of installed wind turbines, including distance, viewing angle, turbine orientation, visual exposure, and the cumulative effects of multiple turbines. This software is optimized for use in high-performance computing environments to enable large scale (e.g., country-wide) analysis, but can also be run on a single server or personal computer. For more information, please see the related journal article: https://www.sciencedirect.com/science/article/pii/S0306261924021846

Lopez, Anthony↗

DOE OSTI2024

Inspecta Technical Report

Sandia National Laboratories (SNL) is in the process of creating Inspecta (International Nuclear Safeguards Personal Examination and Containment Tracking Assistant), an Artificial Intelligence (AI)-powered smart digital assistant (SDA) with robotic capabilities, aimed at enhancing the effectiveness, efficiency, and safety of international nuclear safeguards inspections. This innovative tool is designed to assist inspectors on-site by supporting or automating tasks that are typically mundane, hazardous, or susceptible to errors. In 2021, the development team established the specifications for Inspecta by analyzing International Atomic Energy Agency (IAEA) documents and consulting with former IAEA inspectors and subject matter experts. This process involved aligning in-field inspection tasks with existing commercial or open-source technologies to outline a roadmap for the initial prototype of Inspecta, while also identifying areas needing further research and development. From 2022 – 2024, the focus has shifted to integrating a critical inspection activity, the examination of seals, into an early version of Inspecta. This has involved developing both the software and hardware capabilities necessary for this task. This report outlines the ongoing advancements in Inspecta's functionalities, specifically those supporting the seal examination process.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Inspecta Technical Report

Sandia National Laboratories (SNL) has developed Inspecta (International Nuclear Safeguards Personal Examination and Containment Tracking Assistant), an AI-powered smart digital assistant (SDA) equipped with robotic capabilities. This innovative tool aims to enhance the effectiveness, efficiency, and safety of international nuclear safeguards inspections. Inspecta is designed to assist inspectors on-site by supporting or automating tasks that are often mundane, hazardous, or prone to errors. In 2021, the development team established the specifications for Inspecta by thoroughly analyzing International Atomic Energy Agency (IAEA) documents and consulting with former IAEA inspectors and subject matter experts. This process involved aligning in-field inspection tasks with existing commercial and open-source technologies, thereby creating a roadmap for the initial prototype of Inspecta and identifying areas requiring further research and development. From 2022 to 2025, the focus shifted to integrating a critical inspection activity—the examination of seals—into an early version of Inspecta. This phase has involved the development of both software and hardware capabilities essential for this task. This report outlines the advancements in Inspecta’s functionalities, particularly those that support the seal examination process.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2026

A Generic and Multifunctional Electromagnetic Transient Model for Grid-Following Inverters

This article presents a generic and multi-functional electromagnetic transient (EMT) dynamic model of grid following (GFL) inverter-based resource (IBR) using the PSCAD software platform. The features of the developed model includes the flexibility in selecting various types and combinations of DC sources covering PV modules, battery modules, ideal DC source module, as well as flexibility in selecting either switched or averaged model of inverter. This model also covers exhaustive lists of controller logic covering open-loop/closed-loop PQ dispatch control, DC voltage and AC terminal voltage control along with the conventional current control designed in dq-domain, ate- domain and positive-negative sequence domain. Moreover, this model is equipped with the flexibility in selecting various types of current limiting schemes that includes saturation-based as well as latching-based current limiter, anti-windup protection. Moreover, the EMT model is agnostic to the MVA rating and is suitable for interfacing transmission systems by being complaint with the IEEE Std. 2800. The generality in the power circuits and the multi-functional options in operation and control of the developed EMT model makes it suitable for both academia and industry to study various power system aspects not limited to but such as fault behavior of GFL IBR and impacts on protection system, transient stability of a system interfaced with large number of GFL IBRs etc.

14 SOLAR ENERGY↗

DOE OSTI2026

Science Uses Deployment Operations-Advanced Wireless: Exploring Open Radio Access Network Technologies for Energy Science

Open Radio Access Network is emerging as a solution to the increasing demand for more flexible, cost-effective, and advanced mobile network infrastructures. This evolution is driven by advancements in wireless technologies and the growing complexity of deploying and managing these networks. O-RAN represents a significant shift in wireless technology, building upon the 3rd Generation Partnership Project framework to foster openness, flexibility, and interoperability. By decoupling hardware and software components, Open Radio Access Network enables a multi-vendor ecosystem that encourages innovation and diverse solutions. Open Radio Access Network's potential extends beyond traditional wireless applications, with growing interest in its role in advancing energy systems, particularly in the context of smart grids, microgrids, and the integration of renewable energy sources. While the role of open-wireless technologies in driving energy transformation is increasingly recognized, further exploration is needed. Vendors and utilities are investigating how Open Radio Access Network technologies can optimize energy use cases and improve the performance of 5G and beyond applications. This report outlines efforts under the Science Uses Deployment Operations Advance Wireless project, a collaboration between the National Laboratory of the Rockies' Cybersecurity Research Center, Argonne National Laboratory, Lawrence Berkeley National Laboratory, and the Department of Energy's Energy Science Network research and operations staff. The focus of this project is on due diligence, through testing and evaluation, preparing for the deployment of advanced wireless infrastructure for scientific use cases, with an emphasis on Open Radio Access Network technology, its components, integrations, and its ability to support vertical stack application across the energy sector. Additionally, the report highlights the value cases for utilities, underscoring how adopting open wireless standards can accelerate the evolution of energy systems, foster innovation, and improve the integration of critical energy technologies.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2024

A Generic and Multi-Functional Electromagnetic Transient Model for Grid-Following Inverter: Preprint

This article presents a generic and multi-functional electromagnetic transient (EMT) dynamic model of grid following (GFL) inverter-based resource (IBR) using the PSCAD TM software platform. The features of the developed model includes the flexibility in selecting various types and combinations of DC sources covering PV modules, battery modules, ideal DC source module, as well as flexibility in selecting either switched or averaged model of inverter. This model also covers exhaustive lists of controller logic covering open-loop/closed-loop PQ dispatch control, DC voltage and AC terminal voltage control along with the conventional current control designed in dq-domain, aB- domain and positive-negative sequence domain. Moreover, this model is equipped with the flexibility in selecting various types of current limiting schemes that includes saturation-based as well as latching-based current limiter, anti-windup protection. Moreover, the EMT model is agnostic to the MVA rating and is suitable for interfacing transmission systems by being complaint with the IEEE Std. 2800. The generality in the power circuits and the multi-functional options in operation and control of the developed EMT model makes it suitable for both academia and industry to study various power system aspects not limited to but such as fault behavior of GFL IBR and impacts on protection system, transient stability of a system interfaced with large number of GFL IBRs etc.

grid following inverter↗

DOE OSTI2026

NanoPSD: A software for automatic detection of Nano-Particle Shape Distribution in electron microscopy images

Accurate quantification of the size and morphology of nanoparticles from electron microscopy (EM) images is essential to understand growth mechanisms, surface reactivity, and functional behavior in nanoscale materials. Manual analysis remains slow, subjective, and difficult to reproduce in large datasets. We introduce NanoPSD (Nano-Particle Shape Distribution), an open-source and fully automated framework for quantitative particle detection and morphology analysis from EM images. NanoPSD integrates adaptive contrast enhancement, polarity-agnostic scale-bar detection, Optical Character Recognition (OCR)-based calibration, and classical segmentation via Otsu thresholding with morphological refinement. Particle contours are used to extract geometric descriptors, including equivalent circular diameter, aspect ratio, circularity, and solidity, enabling automated classification into spherical, rod-like, and aggregate morphologies. The framework supports both single-image and batch processing, generating publication-quality visualizations, LaTeX-ready tables, and structured comma-separated values (CSV) datasets. As a demonstration, we applied NanoPSD to plasma-synthesized nanoparticle samples diagnosed via transmission electron microscopy (TEM). The code produced statistically robust size and morphology distributions spanning a few to tens of nanometers with minimal user supervision. The pipeline demonstrates high reproducibility and scalability, processing large image collections with consistent calibration and output formatting. Its modular design enables seamless integration of future deep-learning-based segmentation models, providing a pathway toward intelligent, data-driven electron microscopy analysis.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Hydrodynamic Analysis and Optimization of Aquantis Marine Turbine: Cooperative Research and Development (Final Report)

The primary aim of this proposal is to improve the accurate prediction of hydrodynamic performance and dynamic load responses of the AQ10 floating axial-flow tidal turbine with a tri-cat mooring configuration. The validation of reduced-order modeling approaches with high-fidelity model will be implemented. Additionally, the frequency response domain, Response Amplitude Floating Wind (RAFT) toolbox plus an optimizer expanded for marine hydrokinetic turbines under the Submarine Hydrokinetic And Riverine Kilo-megawatt. Systems (SHARKS) program will be used for designing and exploring different key design parameters (platform dimension, mooring layout and its parameters) of next marine hydrokinetic (MHK) turbine generation.

16 TIDAL AND WAVE POWER↗

DOE OSTI2024

Enhancements and Deployment of the TDAQ System for the Mu2e Experiment

The Real Time Processing Systems Division at Fermilab has deployed new features to the Off-The-Shelf Data Acquisition framework (otsdaq) for the Mu2e experiment. The Mu2e experiment will search for the coherent neutrino-less conversion of a muon into an electron in the field of an aluminum nucleus with a sensitivity improvement of 10,000 times over existing limits. Such a charged lepton flavor-violating reaction probes new physics at a scale unavailable at present or planned high-energy colliders. The Mu2e Trigger and Data Acquisition (TDAQ) system uses otsdaq as its online Data Acquisition System (DAQ) framework. otsdaq integrates the artdaq and art frameworks for event transfer, filtering, and processing. otsdaq is a web-based DAQ software suite focusing on flexibility and scalability and provides a multi-user interface accessible through a web browser. artdaq handles the entire data stream, which is read over the peripheral component interconnect express (PCIe) bus to a software filter algorithm that selects events combined with the data flux coming from a cosmic-ray veto (CRV) system. Detector front-ends are configured through the PCIe bus by customized otsdaq plugins. The otsdaq slow controls infrastructure has been further developed using the experimental physics and industrial control system (EPICS) open-source platform for monitoring, controlling, alarming, and archiving. The detector control system (DCS) for Mu2e has been integrated into otsdaq. The production TDAQ and DCS system has been deployed at the experimental hall and is being debugged and optimized for experiment operations. We report on the feature enhancements and deployment of otsdaq for Mu2e.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

From 2D to 4D: a containerized workflow and browser to explore dynamic chromatin architecture

Background Characterizing the physical organization of the genome is essential for understanding long-range gene regulation, chromatin compartmentalization, and epigenetic accessibility. Hi-C experiments generate two-dimensional (2D) genome-wide contact maps of chromatin interactions by capturing the spatial proximity between genomic loci, which reveal interaction frequencies but lack the spatial resolution needed to interpret the three-dimensional (3D) genome structure(s). Emerging evidence suggests that epigenetic regulation is closely linked to 3D genome architecture, and that structural changes over time (4D) drive key biological processes in development, disease, and environmental response. Thus, integrating 3D structure with functional data is critical for a more complete understanding of genome regulation. Previous work, most notably the 4DHiC chromosome modeling framework, has shown that physical multi-dimensional modeling approaches rooted in polymer physics and molecular dynamics can resolve these structures at biologically meaningful resolutions by integrating temporal Hi-C data with physical constraints to uncover dynamic chromosome reorganization. Thus, molecular dynamics simulations, constrained by Hi-C contact matrices, can resolve fine-scale structural changes and reveal functionally significant transitions in chromatin conformation. Results Herein, we present the 4D Genome Browser Workflow (4DGBWorkflow) and the 4D Genome Browser (4DGB). The algorithm is based on the 4DHiC method, and the containerized tool is an end-to-end workflow that can transform, filter, and view 4D epigenomics and chromatin datasets, allowing non-specialists to apply three-dimensional modeling principles to diverse datasets and experimental conditions. The software executes on a laptop running macOS, Linux or Windows. From input Hi-C files (.hic), the 4DGBWorkflow produces 3D reconstructions of chromosomes, integrates the reconstruction with track data (e.g., epigenetic marks, transcriptome profiles), and provides comparative visualization of the results in a single workflow. Conclusions The 4DGBWorkflow and 4D Genome Browser are open-source tools for comparative analysis and visualization of 4D chromosome datasets, including chromatin architecture and epigenomic signals. Automatic integration of Hi-C data with molecular dynamics democratizes the construction of time resolved 3D genome structures, simplifying complex simulations and data integration schemes.

3D Genome Browser↗