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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3

Using Large Language Models to help customers monitor global threat data

Large Language Models have proven adept at answering general knowledge questions. To make these generative AI tools useful to our mission customers for monitoring global threats, the data sciences team at Sandia is utilizing retrieval augmented generation (RAG) techniques to customize these models with local data. The local data we use consists of data such as research articles and patent abstracts that we've collected over the last several years using automated pipelines.

Herzer, John Andrew [Sandia National Laboratories ↗

Domain knowledge-informed, process-mapping AI graph for designing Fe-based alloys

<span style="font-family: Calibri, sans-serif; font-size: 12pt;">Continuous improvement in efficiency of a power plant relies on designing materials for use at increasingly higher temperature and/or pressure, for 100,000s hours of operation. Due to complexity, non-linearity and high-dimensionality of the problem, traditional Machine Learning (ML) approaches require unreasonably large datasets for the data-driven model development. Science-based material and process engineering complements hard data with, sometimes soft and intuitive, empirical domain knowledge. Artificial Intelligence (AI) was used in this study to incorporate such knowledge into computational graph architecture (process-mimicking artificial neuron design, causal layer and graph structures, ensemble modeling of latent states) and learning procedures (variable transformation, fuzzy physics pre-training and freezing of deep layers, virtual microstructure representation, and adversarial multi-objective optimization). The first alloys design pathways suggested by the AI tool (pyroMind) passed a preliminary engineering review on soundness and transparency.</span>

Romanov, Vyacheslav↗

An Agenda for Multimodal Foundation Models for Earth Observation

Archives of remote sensing (RS) data are increasing swiftly as new sensing modalities with enhanced spatiotemporal resolution become operational. While promising new breakthroughs, the sheer volume of RS archives stretches the limits of human analysts and existing AI tools, as most models are: i) limited to single data modalities; ii) task-specific; iii) heavily reliant on labeled data. The emerging Foundation Models (FMs) have the potential to address these limitations. Trained on vast unlabeled datasets through self-supervised learning, FMs enable generic feature extraction that facilitate specialization to a wide variety of downstream tasks. This paper describes a vision towards an FM for multimodal Earth Observation data (FM4EO), discussing key building blocks and open challenges. We put particular emphasis on multimodal reasoning, a topic underexplored in EO. Our ultimate goal is a practical path toward FM4EO with capacity to unlock breakthroughs in few-shot learning scenarios, multimodal geographic knowledge integration, synthesis, and hypothesis generation.

Ambrozio Dias, Philipe↗

Developing an Interactive OpenMP Book with Large Language Models

Abstract. This paper presents an approach to authoring a textbook titled Interactive OpenMP Programming with the assistance of Large Language Models (LLMs). The writing process utilized state-of-the-art LLMs, including Gemini Pro 1.5, Claude 3, and ChatGPT-4, to generate the initial structure and outline of the book, as well as the initial content for specific chapters. This content included detailed descriptions of individual OpenMP constructs and practical programming examples. The outline and content have then undergone extensive manual revisions to meet our book goals. In this paper, we report our findings about the capabilities and limitations of these LLMs. We address critical questions concerning the necessity of textbook resources and the effectiveness of LLMs in creating fundamental and practical programming content. Our findings suggest that while LLMs offer significant advantages in generating textbook content, they require careful integration with traditional educational methodologies to ensure depth, accuracy, and pedagogical effectiveness. The Interactive OpenMP Programming book is developed with the framework of Jupyter Book, enabling the execution of code within the book from the web browser, providing instant feedback and a dynamic learning experience that stands in contrast to traditional educational resources. The book represents a significant step towards modernizing programming education, offering insights into practical strategies for generating the textbook through advanced AI tools.

Large Language Model · OpenMP · Interactive Book ·↗

Modernizing the Nuclear Industry and New Ways of Working

Nuclear energy is recognized as the most feasible energy source towards achieving nation-wide net-zero goals (COP 208, MIT). Additionally, the demand for reliable, consistent energy supply is soaring with the construction of energy hungry data centers and AI tools. This means the construction of new nuclear and the continuation of current nuclear are a high national priority. However, this leaves the nuclear industry with a workforce challenge. The rising demand for nuclear power is threatened by an underpopulated workforce. There exist a few contributors to the decreased workforce such as skewed workforce demographics resulting in large-scale workforce retirement. Also, some plants have observed difficulty hiring and retaining skill sets that typically comprise the nuclear power workforce – specifically skilled craftsman. Those who are graduating with desirable skills are seeking employment in sectors that are more modern and culturally more aligned with younger generational values. Lastly, within the nuclear sector, skilled employees will be a competitive commodity as advanced plants come online offering work environments that incorporate modern technologies, skill sets, and opportunities for career advancement. These factors emphasize the need for legacy plants to modernize with a focus on the workplace environment and culture that meets younger generations’ skills, cultural expectations, and desire for advancement opportunities. Nuclear plants are actively engaged in deploying advancements that improve the management of systems, structures, and components as well as process improvements and technologies that can reduce the costs of operation and maintenance. However, the advancements must also be analyzed, reviewed and deployed in a manner that considers the impact on how people within the organization collaborate, communicate, make decisions, and solve problems. Neglecting to consider the cultural impact of modernization risks poor adoption, unrealized opportunities, or insignificant change toward helping attract new employees. The traditional way of working is not necessarily the way new generations want to engage with their employer. For instance, in a survey performed by North American Young Generation in Nuclear the top three reasons for younger nuclear employees to seek other job opportunities was seeking better work-life balance, a lack of advancement opportunities, and work culture and leadership style differences (Smyth et al. 2022). Integrated Operations for Nuclear (ION) is an approach for the nuclear industry to create long-term strategic modernization plans and analyze each advancement for the impact on people and processes and measure how those impacts flow up to support high-level, long-term plant goals and requirements. One principle of ION is to replace the current labor-centric operation style in legacy nuclear plants with data-centric collaborative operation styles. This paper will explain how transitioning operations to leverage centralized skills and responsibility, multi-skilled teams, and collaborative decision making can flatten the hierarchical structure in plants, enable greater individual efficacy while also offering more experiences and advancement opportunities to staff. Adopting the ION way of working shifts the industry mind-set towards more networked, collaborative, and modern way of working that will attract skilled, next-generation workers to operate the legacy nuclear fleet.

99 - GENERAL AND MISCELLANEOUS↗

Data Center High-Temperature Liquid Cooling and Heat Reuse Techno-Economic Study: Preprint

Data centers are energy-intensive facilities with growing demands for efficiency and cost-effective operations. Smaller, more distributed edge inference data centers are expected to proliferate as AI applications require low latency closer to the user of AI tools, which presents a growing opportunity to explore the systems implications of liquid cooling on water and energy use. This study analyzes the implementation of high-temperature liquid cooling systems in a prototypical inference 1-MW data center and explores the potential for heat reuse across varying climates with a goal to optimize energy efficiency, reduce capital and operational costs, and identify opportunities for high-performance cooling and water use reduction infrastructure. This analysis evaluated configurations utilizing a peak day hourly sizing and systems performance spreadsheet to evaluate design and operational conditions from which component sizes, installed cost, operational cost, and performance metrics were determined for the Base case and the Elevated case. The techno-economic analysis included heat reuse applications across a range of heat recovery temperatures and heat rejection options. The analysis shows that high-temperature liquid cooling allows for improved energy efficiency, lower water consumption, and lower capital costs compared to traditional cooling approaches. Transitioning to elevated water inlet/outlet temperatures (50 degrees C/60 degrees C) eliminates the need for chillers, cooling towers, and heat recovery equipment in many scenarios across three distinct climate zones. This results in up to 75% capital cost savings for the cooling and heat recovery equipment, and with significantly reduced water consumption, especially in non-heat reuse applications. Heat generated from data centers can also be repurposed for space heating, domestic hot water, and other applications, and is most cost-effective when data center outlet temperatures exceed 55-60 degrees C.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

FAIR data infrastructure and tools for AI-assisted streamflow prediction

Focal Area(s) Areas: We discuss how the integration of AI into Earth Science models can impact streamflow predictions at both the science and data levels. Doing so, we address cross-cutting needs related to the goal of making data FAIR (Findable, Accessible, Interoperable, and Re-usable [1]) for seamless use with Artificial Intelligence/Machine Learning (AI/ML) in Earth System Science at DOE. A novel idea is that AI/ML itself can help with the FAIR data goal and address issues in targeted areas e.g. missing data, data quality and reduction. In addition, the interpretability of results obtained with new AI methods is poised to impact broader scientific challenges in hydrology..

54 ENVIRONMENTAL SCIENCES↗

Artificial Intelligence for Natural Gas Utilities: A Primer

Modern natural gas utilities face numerous challenges and competing priorities from various stakeholders. Policymakers, customers, and advocacy groups want to see gas utilities improve performance on safety, reliability, resilience, affordability, and environmental stewardship. State utility regulators — public utility commissions — are responsible for overseeing utility performance, ensuring that ratepayer funds are being spent in the public interest, and aligning utility goals with public goals. The use of new technologies is critical to enabling cost-effective performance on these attributes. Artificial intelligence (AI) is a widely used term among utilities and regulators, but the term means different things to different stakeholders, and it is often used to describe data analytics approaches that fall short of the formal definition of AI, which is: “…the ability of a machine to receive inputs and produce a behavior or reaction similar to that of an intelligent human being.” AI (and related tools, techniques, and technologies) can help utilities solve current and emerging challenges. By combining customer and system data with analytical tools and technologies, AI can augment human decision-makers by assisting in identifying problems and events before they occur, enabling resources to be more efficiently directed across utility infrastructure. The intended primary audience for this primer is state regulators, although utilities and other stakeholders might also find it useful and relevant to improve their awareness of AI. The objectives of this primer are to: (a) offer a set of broadly applicable definitions for AI and related terms, allowing regulators, utilities, and other stakeholders to speak the same language; (b) discuss how AI is currently being implemented in the gas utility sector; and (c) understand the challenges affecting AI solutions and how tools might be implemented in the future. This primer fits within NARUC’s goals of providing impartial information to improve the ability of public utility commissions to regulate in the public interest. As such, this primer does not seek to recommend AI over any other investment, nor does it endorse any particular vendor, product, or approach. It does seek to prepare state regulators to oversee AI investments by sharing information about the current landscape of commercially available tools. To these ends, the primer is organized as follows: Section I discusses the current environment in which natural gas utilities operate and how AI, when thoughtfully designed and implemented, can enable utilities to achieve performance goals; Section II offers definitions of AI and related terms within the data analytics discipline; Section III provides three current opportunities for which AI can offer solutions: replacing aging gas distribution infrastructure, preventing excavator damage to gas distribution infrastructure, and improving energy efficiency programs. This section discusses each problem statement in detail. Second, Section III includes a discussion of how costs and benefits of investments to solve each problem are measured. And third, this section offers real-world examples of utility implementation of AI solutions; Section IV discusses challenges with implementing AI, both from the perspective of utilities and regulators; Section V suggests areas in which AI could feasibly be implemented in the near future; Finally, Section VI offers concluding thoughts and areas for further research.

03 NATURAL GAS↗

Artificial Intelligence in Nuclear Safeguards; Evaluating Safeguards and Security Risks and Benefits for Advanced and Small Modular Reactor Deployments

Rapidly growing interest in advanced and small modular reactor (A/SMR) technologies presents challenges as well as opportunities for implementing international safeguards and security. A/SMR deployments are expected to be more numerous, more geographically dispersed, and more varied in their designs, placing new demands on the data systems and analytical tools used to support oversight (Alberti et al., 2023; Canadian Nuclear Safety Commission et al., 2024). Because of this variability, the importance and reliance on data systems for A/SMR deployments is expected to be higher than for previous reactor generations. Artificial Intelligence and Machine Learning (AI/ML) offer potential capabilities to address the high variability inherent in A/SMR technology. The beneficiaries of AI-assisted tools include facility operators, government regulators, IAEA inspectors, and A/SMR vendors. This report analyzes how AI/ML-assisted technologies can strengthen the implementation of IAEA safeguards and security measures. It also identifies AI-assisted tools to strengthen operator, facility, and regulator knowledge management practices and examines the potential risks AI/ML-based tools may introduce to IAEA safeguards and security efforts. It concludes with a set of hypothetical, standards-style requirements for AI/ML systems used in safeguards contexts, grounded in an inspector-centric view of system verification. Despite the potential benefits of AI/ML systems, understanding potential intentional and unintentional failure modes is critical for ensuring adequate protection of nuclear materials and facilities. Unique features of A/SMRs including sealed cores, remote and novel paradigms of operation, off-site reactor fabrication, novel fuel forms, and varied refueling requirements, introduce challenges for traditional safeguards technological approaches (Pensado et al., 2024; Federation of American Scientists, 2025). AI/ML systems deployed to address these challenges may introduce new risks requiring systematic evaluation rooted in both AI-specific risk frameworks, such as the NIST AI Risk Management Framework (NIST AI RMF), and established cyber risk management standards such as NIST SP 800-30 (National Institute of Standards and Technology [NIST], 2023; NIST, 2012).

97 MATHEMATICS AND COMPUTING↗

Workshop Report for Next-Gen AI for Proliferation Detection: Accelerating the Development and Use of Explainability Methods to Design AI Systems Suitable for Nonproliferation Mission Applications

Artificial intelligence (AI) promises powerful new capabilities in an expansive array of applications. One area is proliferation detection, where AI can provide transformative tools to achieve objectives currently inaccessible using conventional methods. In particular, AI affords the opportunity to use new indicators and process massive amounts of heterogeneous data that can increase sensitivity to proliferant activities and push proliferation detection to the earliest possible stages. However, existing AI tools are not ready to achieve such potential, falling short in regard to some important considerations involved in proliferation detection. One crucial aspect that requires improvement is the explainability of the most powerful AI algorithms (i.e., understanding how the algorithms actually arrive at their conclusions)-the lack of which prevents widespread adoption in national security missions. The Data Science and AI portfolio within the National Nuclear Security Administration's Office of Defense Nuclear Nonproliferation Research and Development is driving the development of next-generation AI for proliferation detection through the expertise and work of the national laboratories and partners in academia. The "Next-Gen AI for Proliferation Detection: Accelerating the Development and Use of Explainability Methods to Design AI Systems Suitable for Nonproliferation Mission Applications" workshop aimed to further this objective. The meeting was held virtually on Sept. 15-16, 2020 and included more than 170 participants, primarily from the national laboratories with additional contributions from university researchers and mission partners. Each day included a keynote presentation, four technical presentations about cutting-edge research in explainability, and a panel to explore considerations in applying explainability and developing AI systems that can accelerate the transition of emerging AI technologies among partners and end users to solve critical mission questions. This report summarizes the Next-Gen AI for Proliferation Detection workshop's content and findings.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Effectiveness and outcomes of invasive species removal in Hawaiian streams

Despite aquatic invasive species (AIS) being a widely recognized threat to native biodiversity in streams on subtropical and tropical oceanic islands across the Pacific, AIS management has been constrained by concerns that methods of removal could result in more harm than good. In this study, we assessed the effectiveness and outcomes of combining hand-netting and streamside sequestration of native species with AIS removal via three-pass electrofishing tailored for Hawaiian Island watersheds. Removals were conducted in 13 watersheds on the island of O‘ahu following a before-after, control-impact design to assess how AIS removal and post-removal community reassembly varied by surface flow and target species of interest. We found that removals resulted in a sharp reduction in AIS densities without altering native species densities. Removal efficacy was greatest in streams with intermediate mean discharge irrespective of target group or pre-removal AIS densities. Long-term monitoring demonstrated that removals led to persistent shifts in community composition reflecting sustained reductions in AIS densities. These findings indicate that electrofishing can be a valuable tool for AIS management in Hawaiian and other subtropical Pacific island streams, so long as steps are taken to minimize potential harm to at-risk and culturally important native species.

59 BASIC BIOLOGICAL SCIENCES↗

NeuDiff Agent: a governed AI workflow for single-crystal neutron crystallography

Large-scale facilities increasingly face analysis and reporting latency as a limiting step in scientific throughput, particularly for structural studies that require iterative reduction, integration, refinement and validation. To improve the time to result and analysis efficiency, NeuDiff Agent is introduced as a governed, tool-using AI workflow for TOPAZ at the Spallation Neutron Source. NeuDiff Agent takes instrument data through reduction, integration, refinement and validation to a validated crystal structure and a publication-ready CIF. NeuDiff Agent coordinates established crystallographic tools under explicit governance by restricting actions to allowlisted tools, enforcing fail-closed verification gates at key workflow boundaries, and capturing complete provenance for inspection, auditing and controlled replay. The present benchmark is limited to structural crystallography for periodic structures; magnetic structure analysis and incommensurate or superspace refinement are outside the scope of the current workflow. Performance is assessed using a fixed prompt protocol and repeated end-to-end runs with two large language model backends, with user and machine time partitioned and intervention burden and recovery behaviors quantified under gating. In a reference-case benchmark, NeuDiff Agent reduces wall time from 435 min (manual) to 86.5 ± 4.7 to 94.4 ± 3.5 min (4.6–5.0× faster) while producing a validated CIF with no checkCIF level A or B alerts. These results establish a practical route to deploy agentic AI in facility crystallography while preserving traceability and publication-facing validation requirements.

Xiao, Zhongcan [ORNL] (ORCID:0000000220761961)↗

Artificial Intelligence for Accelerating Nuclear Applications, Science, and Technology

Artificial intelligence (AI) and machine learning (ML) methods have had significant impacts in science and technology in recent years. These methods for generating models from datasets or logic-based algorithms that emulate aspects of human performance can similarly accelerate the fields of nuclear applications, science, and technology toward the IAEA goals of contributing to peace, health, and prosperity. In order to accomplish advances with AI in general and ML in particular across these fields, IAEA can play a significant role by establishing, hosting and curating centralised resources, including databases, adhering to FAIR (findable, accessible, interoperable and reusable) principles and Open Science best practices, providing stewardship of data sharing, supporting training efforts and development of relevant workforces, as well as enabling connections among the scientific, technology, mathematics, AI and ethics communities. Many areas can benefit from the use of AI in the realm of nuclear applications. In human health, these areas include clinical research, epidemiology, nutrition, medical imaging, radiotherapy and education of health professionals. AI-based tools are also being used to facilitate different clinical tasks in imaging, computer-assisted diagnosis in mammography and lung cancer screening programmes, and dose prediction in nuclear medicine procedures. ML methods in particular may also increase the efficiency and accuracy of the analysis of computerised tomography and dual-energy absorptiometry scans for body composition and bone analysis. The application of AI methods to nuclear and related technologies in food and agriculture can lead to significant advances and improved efficiency in the optimisation of agricultural production, food product development, management of supply chains, food safety and food authenticity control. In the water and environmental sector, AI can help inform policies to mitigate the world’s water problems. The application of AI techniques to hydrology and environmental sciences is expected to improve patterns identification and enable model predictions under a changing climate.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DDxNet: a deep learning model for automatic interpretation of electronic health records, electrocardiograms and electroencephalograms

Effective patient care mandates rapid, yet accurate, diagnosis. With the abundance of non-invasive diagnostic measurements and electronic health records (EHR), manual interpretation for differential diagnosis has become time-consuming and challenging. This has led to wide-spread adoption of AI-powered tools, in pursuit of improving accuracy and efficiency of this process. While the unique challenges presented by each modality and clinical task demand customized tools, the cumbersome process of making problem-specific choices has triggered the critical need for a generic solution to enable rapid development of models in practice. In this spirit, we develop DDxNet, a deep architecture for time-varying clinical data, which we demonstrate to be well-suited for diagnostic tasks involving different modalities (ECG/EEG/EHR), required level of characterization (abnormality detection/phenotyping) and data fidelity (single-lead ECG/22-channel EEG). Using multiple benchmark problems, we show that DDxNet produces high-fidelity predictive models, and sometimes even provides significant performance gains over problem-specific solutions.

60 APPLIED LIFE SCIENCES↗

Towards High-Performance AI4NP Applications on Modern GPU Platforms

The evolution of modern heterogeneous accelerators, such as GPUs, has significantly advanced the landscape of artificial intelligence (AI). There is a notable surge to adopt AI within the nuclear physics domain (AI4NP). While most AI4NP studies focus on feasibility analysis, our attention is directed towards evaluating their performance on contemporary GPUs that integrate tensor cores. We first benchmark the throughput of hyperparameterized multi-layer perceptron (MLP) models. We then examine the performance of an AI4NP application: Hydra. We assess the performance gain and accuracy loss caused by the tensor cores for low-precision floating-point operations. Our experiments encompass the PyTorch and TensorFlow Keras frameworks on NVIDIA’s T4 and A100 GPUs. We explore the behavior of different GPU hardware platforms and AI software tools. This study can be a valuable resource for guiding the performance optimization of larger-scale deployments of AI4NP applications.

Mei, Xinxin↗

Automated CT registration, segmentation, and quantification (AutoCT) v1.0

Processing and analyzing brain imaging is crucial in both scientific development and clinical field. In this software package, we build a pipeline that integrates automatic registration, segmentation, and quantitative analysis for subjects' CT scans. Leveraging diffeomorphic transformations, we enable optimized forward and inverse mappings between an image and the reference. Furthermore, we extract localized features from deformation field based on an online template process, which advances statistical learning downstream. The created templates, atlas as well as our methods provide the brain imaging community tools for AI implementations.

Essiari, Abdelilah↗

Automated CT registration, segmentation, and quantification (AutoCT) v1.1

Processing and analyzing brain imaging is crucial in both scientific development and clinical field. In this software package, we build a pipeline that integrates automatic registration, segmentation, and quantitative analysis for subjects' CT scans. Leveraging diffeomorphic transofrmations, we enable optimized forward and inverse mappings between an image and the reference. Furthermore, we extract localized features from deformation field based on an online template process, which advances statistical learning downstream. The created templates, atlas as well as our methods provide the brain imaging community tools for AI implementations

Bai, Zhe↗