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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Towards Lightweight Data Integration Using Multi-Workflow Provenance and Data Observability

Modern large-scale scientific discovery requires multidisciplinary collaboration across diverse computing facilities, including High Performance Computing (HPC) machines and the Edge-to-Cloud continuum. Integrated data analysis plays a crucial role in scientific discovery, especially in the current AI era, by enabling Responsible AI development, FAIR, Reproducibility, and User Steering. However, the heterogeneous nature of science poses challenges such as dealing with multiple supporting tools, cross-facility environments, and efficient HPC execution. Building on data observability, adapter system design, and provenance, we propose MIDA: an approach for lightweight runtime Multi-workflow Integrated Data Analysis. MIDA defines data observability strategies and adaptability methods for various parallel systems and machine learning tools. With observability, it intercepts the dataflows in the background without requiring instrumentation while integrating domain, provenance, and telemetry data at runtime into a unified database ready for user steering queries. We conduct experiments showing end-to-end multi-workflow analysis integrating data from Dask and MLFlow in a real distributed deep learning use case for materials science that runs on multiple environments with up to 276 GPUs in parallel. We show near-zero overhead running up to 100,000 tasks on 1,680 CPU cores on the Summit supercomputer.

Santos Souza, Renan↗
DOE OSTI2024

Geospatial Data Platform for All

Spatiotemporal data has evolved in scale due to augmented use in cross-domain applications. Simultaneously, there is substantial growth in the availability of Geographic Information Systems (GIS) data provided by the United States Geological Survey (USGS) along with other federal, state, county, or local agencies through open-data portals and public access APIs. However, data availability does not equate with accessibility. Large-scale analyses and applications require robust, performant data management with co-location of data storage and computing. The insufficiency of data management infrastructure compels researchers to adopt ad hoc project- specific GIS data storage solutions (e.g., copying data to High-Performance computer file systems). As an ad hoc storage strategy does not scale, it hampers cross-domain analyses causing difficulty in data reuse and utilizing existing code bases. Furthermore, GIS data is complex and requires expertise to analyze and manipulate due to its intricate data structures and data-specific projection transformations. Despite the challenges, we recognize that derived GIS data products, e.g., satellite or LIDAR-based images, can be used in downstream applications such as AI by domain, but non-GIS experts. To address the data needs and overcome the challenges, we are working towards a GIS Data Platform focused on efficient data storage, data discovery and access, and an API to enable common workflows. We propose a knowledge-graph (KG) approach for data discovery, whereby datasets are semantically linked to higher- level constructs such as projects and research areas. The semantic data links enable researchers to explore datasets in a top-down approach by specifying relevant and meaningful terms (assists in finding hidden data). An advantage is that the nodes and edges in a knowledge graph create built-in semantic documentation. Deeper spatiotemporal connections between data sources can be encoded via Graph Neural Networks (GNN) (Zhang et al., 2021). The KG approach can be extended to integrate the data itself in a Virtual KG (VKG). Our work will derive inspiration from large-scale VKG efforts that have been undertaken or are currently underway as part of the OpenStreetMap project (Ding et al., 2021). For DOE Data Days, we share the proposed geospatial data platform hybrid (cloud/on-prem) architecture, our work-to-date on storing, retrieving, and transforming LiDAR and raster data relevant to two important NREL use-cases, including the Renewable Energy Potential (reV) Model, and present our proposal for a KG based data discovery engine.

data platform↗
DOE OSTI2026

Intelligent Experiments Through Real-time AI: Fast Data Processing and Autonomous Detector Control for sPHENIX and Future EIC Detectors (Final Report)

The overall vision of this project was to integrate real-time artificial intelligence (AI) directly into the data acquisition and detector-control systems of nuclear physics experiments, including both fast online event selection and an autonomous detector-control feedback loop. The work carried out under the award focused on the fast online event-selection half of that vision: the efficient recording of low-momentum heavy-flavor (HF) hadron decays in proton-proton collisions at the sPHENIX experiment at the Relativistic Heavy Ion Collider (RHIC)—an observable that requires fast tracking and topological trigger selection not previously demonstrated at RHIC, and that is essential for QCD studies at future facilities such as the Electron-Ion Collider (EIC). The autonomous detector-control (GPU-based feedback) component named in the project title remained a design concept and was not implemented under this award. The Massachusetts Institute of Technology (MIT) group led the offline simulation and data processing needed to train the machine-learning (ML) models, the translation of trained models to Field-Programmable Gate Array (FPGA) firmware using the hls4ml framework, and the physics validation of heavy-flavor reconstruction. Over the award period, the team developed and hardware-tested the principal components of an AI-based heavy-flavor trigger on simulated and recorded sPHENIX tracker data: a software Bipartite Graph Attention Network (BiGAT) trigger model reaching > 95% signal efficiency at 99% background rejection; an FPGA-native hit clusterizer matching the offline clustering; smaller networks synthesized to FPGA within the required sub-10 µs latency; and an assembled decoder–clusterizer–inference firmware chain exercised on the FELIX readout board. A complete, fully integrated hardware demonstrator was not finished within the award period. This report documents the project goals, the MIT group’s contributions, the technical accomplishments, and the outlook toward applications at the future EIC ePIC detector.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

DASEventNet: AI‐Based Microseismic Detection on Distributed Acoustic Sensing Data From the Utah FORGE Well 16A (78)‐32 Hydraulic Stimulation

Abstract Distributed acoustic sensing (DAS) has emerged as a promising seismic technology for monitoring microearthquakes (MEQs) with high spatial resolution. Efficient algorithms are needed for processing large DAS data volumes. This study introduces a deep learning (DL) model based on a Residual Convolutional Neural Network (ResNet) for detecting MEQs using DAS data, named as DASEventNet. The test data were collected from the Utah FORGE 16A (78)‐32 hydraulic stimulation experiments conducted in April 2022. The DASEventNet model achieves a remarkable accuracy of 100% when discriminating MEQs from noise in the raw test set of 260 examples. Surprisingly, the model identified weak MEQ signatures that have been manually categorized as noise. The decision‐making process with the model is decoded by the classic activation map, which illuminates learning features of the DASEventNet model. These features provide clear illustrations of weak MEQs and varied noise types. Finally, we apply the trained model to the entire period (∼7 days) of continuous DAS recordings and find that it discovers >5,700 new MEQs, previously unregistered in the public Silixa DAS catalog. The DASEventNet model significantly outperforms the traditional seismic method Short‐Term Average/Long‐Term Average (STA/LTA), which detected only 1,307 MEQs. The DASEventNet detection threshold is M w −1.80 compared to the minimum magnitude of M w −1.14 detected by STA/LTA. The spatiotemporal distribution of the newly identified MEQs defines an extensive stimulation zone and more accurately characterizes fracture geometry. Our results highlight the potential of DL for long‐term, real‐time microseismic monitoring that can improve enhanced geothermal systems and other activities that include subsurface hydraulic fracturing.

15 GEOTHERMAL ENERGY↗
NASA NTRSDate not supplied

NASA R&M Efficiency through Findable, Accessible, Interoperable, and Reusable (FAIR) Digital Assets

At the intersection of mission, technology, and place is NASA’s need to modernize for a digital-forward future. Digitalization, the process of moving toward digital business, is occurring everywhere and remains an ongoing process across the federal government.”[1] Whereas, Digital Transformation is “employing digitization/digital technologies (e.g., Artificial Intelligence (AI), mobile, cloud, data) to change a process, product, or capability so dramatically (e.g., real-time, intelligent, personalized, anywhere, anytime) that it is unrecognizable compared to its traditional form.” [2] In order to facilitate a digital transformation it is essential for NASA to understand and identify where data exists today and which data are value-needed in the future, understand where there are unfulfilled data needs that limit the advancement of NASA work, and ensure NASA efficiency through Findable, Accessible, Interoperable, and Reusable (FAIR) digital assets in the future. Therefore, NASA’s Reliability & Maintainability (R&M) Enterprise Data Sharing team is working to leverage both Digitization and Digital Transformation to achieve their vision of developing an R&M data discovery framework that enables our community, our partners, and our stakeholders with the ability to efficiently, robustly, and seamlessly access information that enables real-time knowledge and model-based, analytics driven, decision-making impacting R&M. As a result the R&M Enterprise Data Sharing team has conducted a survey of its Reliability, Maintainability, and Availability (RMA) community members to identify data existence (created or used) and where there are corresponding barriers to data acquisition and/or R&M or other issues as shown within this presentation.

Digital Transformation↗
DOE OSTI2025

Diffusion Model-Guided Inverse Design of Bimetallic Catalysts for Ammonia Decomposition

In the past decade, artificial intelligence and deep learning have played increasingly prominent roles in materials design and discovery. Among these, generative AI models, known for their ability to create unique and complex structures, have emerged as state-of-the-art tools for materials screening due to their high efficiency and low computational cost. In catalysis, one of the major challenges is identifying promising material candidates within an immense chemical space. This challenge can be addressed using generative approaches, such as diffusion-based inverse design models. In this study, we present a machine learning-guided workflow that employed a diffusion model for the inverse design of bimetallic alloy catalysts for low-carbon ammonia decomposition, a key reaction for ammonia emission control and sustainable hydrogen production. Catalyst candidates were evaluated using nitrogen adsorption energy as the key descriptor, inspired by multiscale modeling. The proposed workflow identified low-cost, environmentally friendly catalysts with excellent catalytic performance, which have been validated theoretically and experimentally. Our framework decoupled the generative and property-prediction components, enhancing both flexibility and accuracy in the catalytic material design process.

Adsorption↗
DOE OSTI2026

Multimodal Approaches for Leveraging Domain Knowledge with State-of-the-Art Machine Learning to Engineer Biocatalysts

This grant aimed to accelerate the development of specialized enzymes—biological catalysts essential for sustainable manufacturing and medicine—by integrating traditional laboratory evolution with cutting-edge artificial intelligence. To achieve this, we developed a suite of high-throughput sequencing tools and a centralized database to bridge the gap between a protein’s genetic "code" and its physical function. By training machine learning models on large datasets, we also demonstrated the ability to move beyond slow, trial-and-error testing to a "generative" approach, where AI can independently design new, versatile enzymes like tryptophan synthases. Ultimately, these findings demonstrate that combining laboratory data with computer-guided design enables the engineering of highly efficient biological tools with unprecedented speed and precision.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Scalable Multi-Facility Workflows for Artificial Intelligence Applications in Climate Research

Earth observation satellites and earth system models are sources of vast, multi-modal datasets that are invaluable for advancing climate and environmental research. However, their scale and complexity pose significant challenges for processing and analysis. In this paper we discuss our experiences in developing and using a scientific research application using an automated multi-facility workflow that orchestrates data collection, preprocessing, artificial intelligence (AI) inferencing, and data movement across diverse computational resources, leveraging the Advanced Computing Ecosystem Testbed at the Oak Ridge Leadership Computing Facility (OLCF). We demonstrate that our workflow can be seamlessly integrated and orchestrated across research facilities managed by different federal agencies, thus allowing users to extract new scientific insights from climate datasets. The experimental results indicate that the multi-facility workflow significantly reduces processing time, enhances scalability, and maintains high efficiency across varying workloads. Notably, our workflow processes 12,000 high-resolution satellite images in just 44 seconds using 80 workers distributed across 10 nodes on the OLCF systems. Such high throughput is essential for dynamic tokenization and sharding of petascale satellite data for distributed AI model training and inferencing at scale across thousands of GPUs.

Kurihana, Takuya [ORNL] (ORCID:0000000156698565)↗
DOE OSTI2024

Leveraging generative AI for urban digital twins: a scoping review on the autonomous generation of urban data, scenarios, designs, and 3D city models for smart city advancement

The digital transformation of modern cities by integrating advanced information, communication, and computing technologies has marked the epoch of data-driven smart city applications for efficient and sustainable urban management. Despite their effectiveness, these applications often rely on massive amounts of high-dimensional and multi-domain data for monitoring and characterizing different urban sub-systems, presenting challenges in application areas that are limited by data quality and availability, as well as costly efforts for generating urban scenarios and design alternatives. As an emerging research area in deep learning, Generative Artificial Intelligence (GenAI) models have demonstrated their unique values in content generation. This paper aims to explore the innovative integration of GenAI techniques and urban digital twins to address challenges in the planning and management of built environments with focuses on various urban sub-systems, such as transportation, energy, water, and building and infrastructure. The survey starts with the introduction of cutting-edge generative AI models, such as the Generative Adversarial Networks (GAN), Variational Autoencoders (VAEs), Generative Pre-trained Transformer (GPT), followed by a scoping review of the existing urban science applications that leverage the intelligent and autonomous capability of these techniques to facilitate the research, operations, and management of critical urban subsystems, as well as the holistic planning and design of the built environment. Based on the review, we discuss potential opportunities and technical strategies that integrate GenAI models into the next-generation urban digital twins for more intelligent, scalable, and automated smart city development and management.

3D city modeling↗
DOE OSTI2024

Privacy-Preserving Federated Learning for Science: Challenges and Research Directions

This paper discusses the key challenges and future research directions for privacy-preserving federated learning (PPFL), with a focus on its application to large-scale scientific AI models, in particular, foundation models~(FMs). PPFL enables collaborative model training across distributed datasets while preserving privacy-- an important collaborative approach for science. We discuss the need for efficient and scalable algorithms to address the increasing complexity of FMs, particularly when dealing with heterogeneous clients. In addition, we underscore the need for developing advance privacy-preserving techniques, such as differential privacy, to balance privacy and utility in large FMs emphasizing fairness and incentive mechanisms to ensure equitable participation among heterogeneous clients. Finally, we emphasize the need for a robust software stack supporting scalable and secure PPFL deployments across multiple high-performance computing facilities. We envision that PPFL would play a crucial role to advance scientific discovery and enable large-scale, privacy-aware collaborations across science domains.

Kim, Kibaek [Argonne National Laboratory (ANL)]↗
NASA NTRS2007

Application of Vacuum Swing Adsorption for Carbon Dioxide and Water Vapor Removal from Manned Spacecraft Atmospheres

In NASA's Vision for Space Exploration (Bush, 2004), (Griffin, 2007), humans will once again travel beyond the confines of earth's gravity, this time to remain there for extended periods. These forays will place unprecedented demands on launch systems. They must not only blast out of earth's gravity well as during the Apollo moon missions, but also liftoff the supplies needed to sustain a larger crew over much longer periods. Thus all spacecraft systems, including those for the separation of metabolic carbon dioxide and water from a crewed vehicle, must be minimized with respect to mass, power, and volume. Emphasis is also placed on system robustness both to minimize replacement parts and ensure crew safety when a quick return to earth is not possible. For short-term phases of manned space exploration, such as transit from the earth to the moon, venting of metabolic carbon dioxide and water to space is more efficient than the inclusion of large recycling systems on the spacecraft. The baseline system for the Orion spacecraft is an amine-based vacuum swing system (Smith, Perry et aI., 2006). As part of the development of an alternative approach, a sorbent-based CO2 and H2O removal system (Knox, Adams et aI., 2006), subscale testing was conducted to evaluate potential performance improvements obtainable by recuperating the heat of adsorption to aid in vacuum desorption. This bed design is shown in Figure 1, is depicted here with a lattice structure instead of reticulated foam for heat transfer. The slot widths are approximately 1.2 mm wide and 8.5 mm long. Bed depth is approximately 4.7 mm. Headers (not shown) were produced by the stereo lithography apparatus at MSFC.

Knox, J.↗
DOE OSTI2022

Enabling Innovation in Wind Turbine Design Using Artificial Intelligence

The Inverse Network Transformations for Efficient Generation of Robust Airfoil and Turbine Enhancements (INTEGRATE) project is developing a new inverse-design capability for wind turbine rotors using invertible neural networks. This artificial intelligence (AI)-based technology can capture complex nonlinear aerodynamic effects 100 times faster than alternative design approaches.

aerodynamics↗
DOE OSTI2022

Enabling Innovation in Wind Turbine Design Using Artificial Intelligence

The Inverse Network Transformations for Efficient Generation of Robust Airfoil and Turbine Enhancements (INTEGRATE) project is developing a new inverse-design capability for wind turbine rotors using invertible neural networks. This artificial intelligence (AI)-based technology can capture complex nonlinear aerodynamic effects 100 times faster than alternative design approaches.

aerodynamics↗
DOE OSTI2021

AI-driven multiscale simulations illuminate mechanisms of SARS-CoV-2 spike dynamics

We develop a generalizable AI-driven workflow that leverages heterogeneous HPC resources to explore the time-dependent dynamics of molecular systems. We use this workflow to investigate the mechanisms of infectivity of the SARS-CoV-2 spike protein, the main viral infection machinery. Our workflow enables more efficient investigation of spike dynamics in a variety of complex environments, including within a complete SARS-CoV-2 viral envelope simulation, which contains 305 million atoms and shows strong scaling on ORNL Summit using NAMD. We present several novel scientific discoveries, including the elucidation of the spike’s full glycan shield, the role of spike glycans in modulating the infectivity of the virus, and the characterization of the flexible interactions between the spike and the human ACE2 receptor. We also demonstrate how AI can accelerate conformational sampling across different systems and pave the way for the future application of such methods to additional studies in SARS-CoV-2 and other molecular systems.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

AutoTG: Reinforcement Learning-Based Symbolic Optimization for AI-Assisted Power Converter Design

Power converters are pervasive in modern electronic component design. They can be found in all electronic devices from household appliances and cellphone chargers to vehicles. Currently, designing new circuit topologies is hard because it requires human expertise based on experience and is difficult to automate. However, artificial-intelligence-assisted design can significantly facilitate the development of new power converters and/or improve the final result. Intelligently designed highly efficient power converters can have a significant effect on many important attributes, such as power efficiency, layout size, cost, heat dissemination, energy requirements, etc. We propose Autonomous Topology Generator (AutoTG), a reinforcement-learning-based framework that generates power converter topology candidates based on user specifications, optimized for user preferences. By modeling power converter design as a symbolic optimization problem, we sequentially sample components in an autoregressive manner until new topologies are formed, providing both the topology specification and the sizing (magnitude of each component parameter) of the proposed power converter. Here, we provide an empirical evaluation and show that AutoTG is able to generate varied high-efficiency topologies within component restrictions based on user input and show that previously unknown topologies can be found for further evaluation.

(AI)-based design↗
NASA NTRS1993

Applications of artificial intelligence 1993: Knowledge-based systems in aerospace and industry; Proceedings of the Meeting, Orlando, FL, Apr. 13-15, 1993

The present volume on applications of artificial intelligence with regard to knowledge-based systems in aerospace and industry discusses machine learning and clustering, expert systems and optimization techniques, monitoring and diagnosis, and automated design and expert systems. Attention is given to the integration of AI reasoning systems and hardware description languages, care-based reasoning, knowledge, retrieval, and training systems, and scheduling and planning. Topics addressed include the preprocessing of remotely sensed data for efficient analysis and classification, autonomous agents as air combat simulation adversaries, intelligent data presentation for real-time spacecraft monitoring, and an integrated reasoner for diagnosis in satellite control. Also discussed are a knowledge-based system for the design of heat exchangers, reuse of design information for model-based diagnosis, automatic compilation of expert systems, and a case-based approach to handling aircraft malfunctions.

Fayyad, Usama M.↗
DOE OSTI2026

Cooperative Automated Cohort Driving on Connected Infrastructure, Arterial Roadways, and Highways: Final Project Demonstration and System-of-Systems Model Correlation

This project seeks to synergize vehicle automated driving and connectivity data to improve mobility and energy efficiency of groups of mixed vehicles operating in close proximity (vehicle cohort) on various infrastructure. A custom cellular communication network links vehicles operating as a cohort with infrastructure to a centralized system-of-systems digital twin with an AI-based optimal behavior planner. The data contained in this set are from final testing and technology demonstrations to U.S. Department of Energy staff at the American Center for Mobility. The data contain single-lane, single-light scenarios; multi-lane, multi-light arterial scenarios; and limited-access highway scenarios. All test cases were derived from simulations and replicated on the test track. The project employed two and four light-duty vehicles with connectivity and drive automation for the testing. The baseline scenario without connectivity was run under the control of the system-of-systems centralized planner but operating each vehicle with an intelligent driver model controlling the velocity, lane utilization, and vehicle gap. This was to ensure the highest compatibility with the simulation in terms of dynamic behavior. The connected cohort case utilized AI optimization to perform coordinated and cooperative control for energy, as well as safe, comfortable behavior for the cohort. The dataset is appropriately named with unconnected and connected designations, with comparisons sharing the same run index number. The included PowerPoint and PDF files describe the test setup and provide an overview of results from the project. ![image](de-EE0009209_March_2023_Data_Arterial_Scenario_Results.png)

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗