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DOE OSTI2024

Regulators’ Financial Toolbox: Leveraging Software as a Service, Cloud Computing, and Artificial Intelligence in Electric Utilities

The rapid evolution of Software as a Service (SaaS), cloud computing, and artificial intelligence (AI) is transforming the electric utility industry, reshaping operations, customer engagement, and financial models. This webinar introduced how utilities can deploy advanced software solutions and AI-driven analytics to improve grid efficiency, optimize asset management, and accurately forecast demand.

Bartlett, Phillip↗

DOE OSTI2025

Angular Correlation Date Measurements with the GeRMAC system

Advanced modeling and simulation efforts have improved at Idaho National Laboratory in recent years with a solid foundation of experimental results. Current computational methods represent significant modeling capabilities but are limited by the accuracy and availability of nuclear data. The creation of pre- and post-processing software tools to address these limitations is fundamental to the improvement of nuclear science modeling capacities. One aspect of predictive modeling tools deals with gamma-rays emitted from radionuclides, including fissile or fissionable material, fission products, or activation products, produced in reactor experiments or other neutron environments. The resulting radionuclides decay in unique ways, providing complications upon measurement as a result of random and cascade, or true, coincidence summing. These effects are not easily quantified during modeling efforts of gamma-ray source terms., The germanium rotational measurements for angular correlation (GeRMAC) system was built to quantify the relative angles for gamma rays emitted by radionuclides of interest to investigate true coincidence, or cascade, summing as well as the nuclear energy levels of decay schemes of interest. Proof of concept studies utilize a series of laboratory check sources to provide validity, and it will soon be used to perform the same measurements for fission products of interest. The resulting data can be used to implement into a Monte Carlo code, such as Geant4, to provide more precise gamma-ray source terms following irradiations of materials.

73 - NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

An Approach to Automate tools for the Risk Assessment of Digital Instrumentation and Control Systems

Reliable digital instrumentation and control systems (DI&C) are integral for sustaining the continued operation of nuclear power plants. These systems ensure that nuclear reactors operate safely, efficiently, and within regulatory requirements. Yet, the cost of designing and licensing new nuclear DI&C can be prohibitively expensive. Under the U.S. Department of Energy Light Water Reactor Sustainability Program, Idaho National Laboratory has developed a framework for supporting the risk-informed design of DI&C systems by offering methods to support the identification, quantification, and evaluation of risks for various DI&C design architectures. The framework indicates potential software failure modes and provides pathways for quantifying the potential for these software failures, including common cause failures. Using the framework’s systematic approach, challenges for assessing risks within new and existing nuclear DI&C systems can be reduced. Nevertheless, the current framework can be further improved using the convenience of automation. This paper introduces the development of Software for the Hazard Identification and Evaluation of Digital Systems (SHIELDS). SHIELDS is an engineering software package that enables the identification, elimination, and mitigation of potential risks and reduces the burden of deploying reliable DI&C systems. This work introduces plans and techniques to digitize and improve the manual risk assessment modules of the framework. These improvements will save time and increase the repeatability and usability of the framework, making it more accessible to a wider range of users. Ultimately, this introduces SHIELDS and how its modules support efficient development of safe and reliable DI&C systems.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

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

Implementation of Stochastic Gradient Descent in an Automated Glow Peak Identification Software for Multiple Thermoluminescent Dosimeter Types

A glow-curve analysis code was previously developed in C++ to analyze thermoluminescent dosimeter glow curves using automated peak detection while applying a first-order kinetics model. A newer version of this code was implemented to improve the automated peak detection and curve fitting models. The Stochastic Gradient Descent Algorithm was introduced to replace the prior approach of taking first and second-order derivatives for peak detection. Additionally, early stopping mechanisms were invoked to improve the previously used Levenberg-Marquardt Algorithm employed for curve fitting. The two software versions were compared through glow curve analysis of different thermoluminescent dosimeter materials and calculation of the corresponding figures of merit. Altogether improvements were shown, namely an increase in the number of peaks detected and a reduction of the mean figure of merit by approximately 46%.

137Cs↗

DOE OSTI2025

The MCNP ® 6 code: A decade of progress

After several years of effort involved in merging the Los Alamos National Laboratory MCNP5 and MCNPX codes, in 2013 the first production release of version 6 of the Monte Carlo N-Particle ® , or MCNP ® , code MCNP6.1 was distributed publicly. Since then, three significant releases have been issued: MCNP6.1.1beta in 2014, MCNP6.2 in 2018, and MCNP6.3 in 2023. While each release always contains new features, code enhancements, and bug fixes, each version has had a different primary focus, ranging from improved calculational efficiency to new powerful utilities and tools, to software modernization of the code base. With all that has been learned over the first decade of the MCNP6 code, continuous progress is being made toward a modernized, general-purpose Monte Carlo radiation transport code that remains a trusted resource for the global community of practitioners. This paper describes these first 10+ years of the MCNP6 code and its continually improving data libraries, and gives some insight into how the next decade is expected to unfold.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2026

Automation of Nanoparticle Synthesis Processes in a Plasma Environment Using LabVIEW

This work presents an automated control system for the synthesis of nanomaterials by plasma-enhanced chemical vapor deposition (PECVD), implemented using the LabVIEW software environment. The main objective of the study is to develop an integrated hardware-software platform that enables sequential control of the key stages of the PECVD process, including vacuum chamber preparation, pressure monitoring, working gas supply, plasma ignition, power matching, cyclic nanomaterial growth, and optical monitoring of nanoparticles in the plasma environment. The use of LabVIEW made it possible to integrate actuator control, experimental parameter acquisition, and realtime process visualization within a single automated system. The automated cycle begins with evacuation of the reaction chamber to a predefined base pressure. Transition to the next stage is permitted only after the specified pressure threshold has been reached, ensuring reproducible initial conditions for each experiment. The program then controls the supply of the working gas through mass flow controllers (MFCs). In this work, two gas-flow control modes were considered: analog control using a 0-5 V voltage signal and digital communication via RS-232 interface. It was shown that the analog approach requires accurate scaling of the control voltage, since applying 5 V corresponds to full-scale opening of the controller and results in the maximum gas flow. In contrast, the RS232 interface enables the gas flow rate to be specified directly in sccm, improving the accuracy, flexibility, and convenience of gas-environment control. After pressure stabilization, LabVIEW initiates RF plasma ignition and executes the RF matching algorithm aimed at minimizing reflected power and improving the stability of the plasma process. A separate software module implements the cyclic nanomaterial growth mode, in which the plasma-on time, plasma duration, and total number of synthesis cycles are predefined. This approach makes it possible to control material accumulation on the substrate and to correlate the process parameters with the morphological characteristics of the resulting nanostructures. The final module of the system is designed for optical monitoring of the nanoparticle cloud density in dusty plasma. For this purpose, the change in the intensity of laser radiation passing through the plasma region is recorded using a photodetector and a Keithley 2401 measuring unit connected to LabVIEW via RS-232 interface. The difference between the initial and modified optical signal intensity is used as a diagnostic parameter characterizing the formation and temporal evolution of nanoparticles. The developed system demonstrates that LabVIEW can be effectively applied not only for the automation of individual instruments, but also for the implementation of a complete digital control cycle for PECVD-based nanomaterial synthesis.

PECVD↗

DOE OSTI2024

IRIS: A Performance-Portable Framework for Cross-Platform Heterogeneous Computing

From edge to exascale, computer architectures are becoming more heterogeneous and complex. The systems typically have fat nodes, with multicore CPUs and multiple hardware accelerators such as GPUs, FPGAs, and DSPs. This complexity is causing a crisis in programming systems and performance portability. Several programming systems are working to address these challenges, but the increasing architectural diversity is forcing software stacks and applications to be specialized for each architecture. As we show, all of these approaches critically depend on their software framework for discovery, execution, scheduling, and data orchestration. To address this challenge, we believe that a more agile and proactive software framework is essential to increase performance portability and improve user productivity. To this end, we have designed and implemented IRIS: a performance-portable framework for cross-platform heterogeneous computing. IRIS can discover available resources, manage multiple diverse programming platforms (e.g., CUDA, Hexagon, HIP, Level Zero, OpenCL, OpenMP) simultaneously in the same execution, respect data dependencies, orchestrate data movement proactively, and provide for user-configurable scheduling. To simplify data movement, IRIS introduces a shared virtual device memory with relaxed consistency among different heterogeneous devices. IRIS also adds an automatic kernel workload partitioning technique using the polyhedral model so that it can resize kernels for a wide range of devices. Our evaluation on three architectures, ranging from Qualcomm Snapdragon to a Summit supercomputer node, shows that IRIS improves portability across a wide range of diverse heterogeneous architectures with negligible overhead.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

DCVD Image Analysis Algorithm

The purpose of the software algorithm is to assist in the sustainability and improvement of the Cerenkov viewing devices, especially the DCVD, used by Euratom and the IAEA safeguards inspectors to verify the presence and completeness of spent nuclear fuel.

McGinnis, Brent [Pacific Northwest National Labora↗

DOE OSTI2026

Holistic Transportation and Energy Modeling

This project advances the development and application of the TEMPO transportation energy systems model to support DOE analysis of evolving mobility futures. Recent work has focused on improving model transparency, performance, and fidelity through a redesigned software architecture and updated technology adoption scenarios aligned with the latest data and assumptions. Ongoing efforts aim to expand TEMPO's ability to assess transportation affordability and consumer decision-making, including vehicle ownership dynamics and distributional impacts across households. These enhancements position TEMPO to better inform policy and R&D decisions by providing more behaviorally realistic and policy-relevant insights into transportation energy use, technology adoption, and system-level outcomes.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2025

Better Climate Challenge Working Groups Non-Energy Benefits of Energy Projects-Improving Financial Payback

Energy efficiency is a key strategy recently identified by the United States Department of Energy as a pillar of industrial decarbonization. For manufacturing companies, improving energy efficiency will reduce money spent on energy utilities such as gas, electricity, and oil. Energy improvement projects also provide valuable benefits outside of simple operating cost reductions, such as reducing the carbon footprint, improving safety metrics and even enhancing quality and productivity. Unfortunately, energy efficiency projects have typically faced an adoption gap, even when they meet criteria such as payback period for capital projects. The inclusion and quantification of non-energy benefits (NEBs), also known as co-benefits, in the decision-making process for energy efficiency projects can improve the overall financial payback periods for those projects as well as potentially improve the company's key performance metrics aligned with business strategies. There are no readily available tools that facilitate this, however, and the most used tools for energy audits address NEBs in a perfunctory way if at all. We integrated research for finding and quantifying non-energy benefits of energy efficiency projects into a commonly recognized continuous improvement practice, the Define, Measure, Analyze, Improve and Control (DMAIC) Process. This process, along with software and supplemental materials, guides energy assessments to find and to quantify NEBs associated with energy conservation opportunities. Our aim is to deliver an easy to use and effective process and software tool and to maximize return on investment for energy efficiency projects as well as contribute to companies' strategic performance goals.

DMAIC↗

DOE OSTI2024

ARQUIN: Architectures for Multinode Superconducting Quantum Computers

Many proposals to scale quantum technology rely on modular or distributed designs wherein individual quantum processors, called nodes, are linked together to form one large multinode quantum computer (MNQC). One scalable method to construct an MNQC is using superconducting quantum systems with optical interconnects. However, internode gates in these systems may be two to three orders of magnitude noisier and slower than local operations. Surmounting the limitations of internode gates will require improvements in entanglement generation, use of entanglement distillation, and optimized software and compilers. Still, it remains unclear what performance is possible with current hardware and what performance algorithms require. In this article, we employ a systems analysis approach to quantify overall MNQC performance in terms of hardware models of internode links, entanglement distillation, and local architecture. We show how to navigate tradeoffs in entanglement generation and distillation in the context of algorithm performance, lay out how compilers and software should balance between local and internode gates, and discuss when noisy quantum internode links have an advantage over purely classical links. Here, we find that a factor of 10–100× better link performance is required and introduce a research roadmap for the co-design of hardware and software towards the realization of early MNQCs. While we focus on superconducting devices with optical interconnects, our approach is general across MNQC implementations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Results from a multi-laboratory ocean metaproteomic intercomparison: effects of LC-MS acquisition and data analysis procedures

Metaproteomics is an increasingly popular methodology that provides information regarding the metabolic functions of specific microbial taxa and has potential for contributing to ocean ecology and biogeochemical studies. A blinded multi-laboratory intercomparison was conducted to assess comparability and reproducibility of taxonomic and functional results and their sensitivity to methodological variables. Euphotic zone samples from the Bermuda Atlantic Time-series Study (BATS) in the North Atlantic Ocean collected by in situ pumps and the autonomous underwater vehicle (AUV) Clio were distributed with a paired metagenome, and one-dimensional (1D) liquid chromatographic data-dependent acquisition mass spectrometry analysis was stipulated. Analysis of mass spectra from seven laboratories through a common bioinformatic pipeline identified a shared set of 1056 proteins from 1395 shared peptide constituents. Quantitative analyses showed good reproducibility: pairwise regressions of spectral counts between laboratories yielded R 2 values averaged 0.62±0.11, and a Sørensen similarity analysis of the top 1000 proteins revealed 70 %–80 % similarity between laboratory groups. Taxonomic and functional assignments showed good coherence between technical replicates and different laboratories. A bioinformatic intercomparison study, involving 10 laboratories using eight software packages, successfully identified thousands of peptides within the complex metaproteomic datasets, demonstrating the utility of these software tools for ocean metaproteomic research. Lessons learned and potential improvements in methods were described. Future efforts could examine reproducibility in deeper metaproteomes, examine accuracy in targeted absolute quantitation analyses, and develop standards for data output formats to improve data interoperability. Together, these results demonstrate the reproducibility of metaproteomic analyses and their suitability for microbial oceanography research, including integration into global-scale ocean surveys and ocean biogeochemical models.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2026

Finding the missing pieces: filling gaps that impede the translation of omics data into models

High-throughput omics technologies such as DNA sequencing have made the sequencing and computational assembly of microbial genomes recovered from the environment relatively routine. Computational inference of the protein products encoded by these genomes, and the associated biochemical functions, should enable the accurate prediction and modeling of microbial metabolism, organismal interactions, and ecosystem processes. However, a lack of scalable, probabilistic protein annotation tools limits the full potential of modeling for understanding the metabolism and biogeochemical cycles of microbial communities. Our approach to improve inference of protein annotations and metabolic models relied on learning from and emulating expert manual curation, leveraging software engineering and data science best practices to scale up the throughput and accuracy of annotations and metabolic model construction, building software to objectively evaluate different annotation strategies, and more closely linking the protein annotation and metabolic model inference process. Outcomes of this research include several improved or new computational tools, including DRAM (Distilled and Refined Annotation of Metabolism) for annotating microbial genomes with protein function and metabolic traits, CAMPER (Curated Annotations for Microbial Polyphenol Enzymes and Reactions) for annotating key polyphenol metabolisms, EC-Bench for comprehensive and unbiased benchmarking of annotation tools, and several apps available via the DOE Systems Biology Knowledgebase (KBase) for building genome-scale metabolic models. We demonstrate that these tools allow us to scalably annotate and understand thousands of genomes for microbial communities from a variety of systems and test cases, including rivers, thawing permafrost, and gut microbiomes. All of these computational tools are available as open-source software, with most broadly and easily accessible to the scientific community via KBase apps.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Real time heat load calculation software based on EPICS for Fermilab PIP-II CM tests

Fermilab has a project to improve the proton beam energy which is called PIP-II (the 2nd Proton Improvement Plan). There is a superconducting linear accelerator, LINAC, to improve the proton beam power and the LINAC consists of 5 types of cryomodules (CM), 1 HWR CM, 2 SSR1 CM, 4 SSR2 CM, LB650 CM, and HB650 CM. The prototypes of these cryomodules are being tested at Fermilab’s CryoModule Test Facility (CMTF). Heat load measurements are an important part of the prototype CM testing. The CMTF cryogenic control system was developed based on the ACNET (Accelerator Control NETwork) for CM testing for other projects, but the PIP-II cryogenic control system will be implemented using the Experimental Physics and Industrial Control System (EPICS). As part of the prototype CM testing campaign an EPICS based control system has been implemented at CMTF. This EPICS cryogenic control system includes real time heat load calculation software utilizing the Fortran implementation of Hepak. This paper details the real time heat load calculation software developed for the prototype CM testing including the first results from the HB 650 CM.

Yoon, S. [Fermilab]↗

DOE OSTI2026

Real time heat load calculation software based on EPICS for Fermilab PIP-II CM tests

Fermilab has a project to improve the proton beam energy which is called PIP-II (the 2nd Proton Improvement Plan). There is a superconducting linear accelerator, LINAC, to improve the proton beam power and the LINAC consists of 5 types of cryomodules (CM), 1 HWR CM, 2 SSR1 CM, 4 SSR2 CM, LB650 CM, and HB650 CM. The prototypes of these cryomodules are being tested at Fermilab’s CryoModule Test Facility (CMTF). Heat load measurements are an important part of the prototype CM testing. The CMTF cryogenic control system was developed based on the ACNET (Accelerator Control NETwork) for CM testing for other projects, but the PIP-II cryogenic control system will be implemented using the Experimental Physics and Industrial Control System (EPICS). As part of the prototype CM testing campaign, an EPICS based control system has been implemented at CMTF. This EPICS cryogenic control system includes real-time heat load calculation software utilizing the Fortran implementation of Hepak. This paper details the real time heat load calculation software developed for the prototype CM testing including the first results from the HB650 CM.

Yoon, S. [Fermilab]↗

DOE OSTI2025

sup3ruhi (Super Resolution for Renewable Resource Data and Urban Heat Islands) [SWR-25-05]

Urban heat is a growing concern, particularly in dense metropolitan areas where high temperatures increase the risk of heat-related illness and drive energy expenses for cooling. Estimating the effects of urban heat remains a challenge due to limitations in describing the built environment, computational constraints, and the need for high-resolution data. This software presents open-source, computationally efficient machine learning methods that enhance the accuracy of urban temperature estimates compared to historical reanalysis data. Models trained using this software have been applied to urban microclimates in Los Angeles and Seattle showing greater accuracy and less bias when compared to low-resolution reanalysis datasets like ERA5 and even when compared to high-resolution mesoscale numerical weather models like WRF with an urban canopy model. Initial findings highlight how machine learning can support urban heat resilience planning by enabling improved assessments of local heat islands, mitigation strategies, and their energy implications. This software is an extension of (sup3r). This software supports the following publication: Buster, Grant, et al. Tackling Extreme Urban Heat: A Machine Learning Approach to Assess the Impacts of Climate Change and the Efficacy of Climate Adaptation Strategies in Urban Microclimates. arXiv:2411.05952, arXiv, 8 Nov. 2024. arXiv.org, https://doi.org/10.48550/arXiv.2411.05952. And has related public data records available at: Buster, Grant, Cox, Jordan, Benton, Brandon, and King, Ryan. Super-Resolution for Renewable Resource Data and Urban Heat Islands (Sup3rUHI). United States: N.p., 16 Oct, 2024. Web. https://data.openei.org/submissions/6220.

Buster, Grant [National Renewable Energy Laborator↗

DOE OSTI2024

Towards Next-Generation Urban Decision Support Systems through AI-Powered Construction of Scientific Ontology Using Large Language Models—A Case in Optimizing Intermodal Freight Transportation

The incorporation of Artificial Intelligence (AI) models into various optimization systems is on the rise. However, addressing complex urban and environmental management challenges often demands deep expertise in domain science and informatics. This expertise is essential for deriving data and simulation-driven insights that support informed decision-making. In this context, we investigate the potential of leveraging the pre-trained Large Language Models (LLMs) to create knowledge representations for supporting operations research. By adopting ChatGPT-4 API as the reasoning core, we outline an applied workflow that encompasses natural language processing, Methontology-based prompt tuning, and Generative Pre-trained Transformer (GPT), to automate the construction of scenario-based ontologies using existing research articles and technical manuals of urban datasets and simulations. From these ontologies, knowledge graphs can be derived using widely adopted formats and protocols, guiding various tasks towards data-informed decision support. The performance of our methodology is evaluated through a comparative analysis that contrasts our AI-generated ontology with the widely recognized pizza ontology, commonly used in tutorials for popular ontology software. We conclude with a real-world case study on optimizing the complex system of multi-modal freight transportation. Our approach advances urban decision support systems by enhancing data and metadata modeling, improving data integration and simulation coupling, and guiding the development of decision support strategies and essential software components.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗