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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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All sourcesNASA NTRSDOE OSTI
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↗
DOE OSTI2024

Spatialyze: A Geospatial Video Analytics System with Spatial-Aware Optimizations

Videos that are shot using commodity hardware such as phones and surveillance cameras record various metadata such as time and location. We encounter suchgeospatial videoson a daily basis and such videos have been growing in volume significantly. Yet, we do not have data management systems that allow users to interact with such data effectively. In this paper, we describe Spatialyze, a new framework for end-to-end querying of geospatial videos. Spatialyze comes with a domain-specific language where users can construct geospatial video analytic workflows using a 3-step, declarative,build-filter-observeparadigm. Internally, Spatialyze leverages the declarative nature of such workflows, the temporal-spatial metadata stored with videos, and physical behavior of real-world objects to optimize the execution of workflows. Our results using real-world videos and workflows show that Spatialyze can reduce execution time by up to 5.3×, while maintaining up to 97.1% accuracy compared to unoptimized execution.

Computer Science↗
NASA NTRS2013

Real-Time Multimission Event Notification System for Mars Relay

As the Mars Relay Network is in constant flux (missions and teams going through their daily workflow), it is imperative that users are aware of such state changes. For example, a change by an orbiter team can affect operations on a lander team. This software provides an ambient view of the real-time status of the Mars network. The Mars Relay Operations Service (MaROS) comprises a number of tools to coordinate, plan, and visualize various aspects of the Mars Relay Network. As part of MaROS, a feature set was developed that operates on several levels of the software architecture. These levels include a Web-based user interface, a back-end "ReSTlet" built in Java, and databases that store the data as it is received from the network. The result is a real-time event notification and management system, so mission teams can track and act upon events on a moment-by-moment basis. This software retrieves events from MaROS and displays them to the end user. Updates happen in real time, i.e., messages are pushed to the user while logged into the system, and queued when the user is not online for later viewing. The software does not do away with the email notifications, but augments them with in-line notifications. Further, this software expands the events that can generate a notification, and allows user-generated notifications. Existing software sends a smaller subset of mission-generated notifications via email. A common complaint of users was that the system-generated e-mails often "get lost" with other e-mail that comes in. This software allows for an expanded set (including user-generated) of notifications displayed in-line of the program. By separating notifications, this can improve a user's workflow.

Wallick, Michael N.↗
DOE OSTI2022

Crash Risks Evaluation of Urban Expressways: A Case Study in Shanghai

We report that proactive traffic safety management systems can reduce crashes by identifying crash precursors, evaluating real-time crash risks, and implementing suitable interventions. The basic prerequisite for developing such a system is to propose a reliable crash risk evaluation model that takes real-time traffic flow data as input. Previous studies have primarily focused on real-time crash prediction using some statistical or machine-learning methods. However, further quantitative evaluation and classification of crash risks have been ignored. In this study, we conduct a systematic crash risk evaluation workflow, including crash risk prediction, crash risk quantification, and crash risk classification. Specifically, the crash risk prediction using an extended logit model is proposed, from which CAS, CSD, UAS, DAS, DTV are identified to be contributing factors of crash risks. Then a crash risk quantification model based on the parameter evaluation of the extended logit model is developed. The crash risks of urban expressways and their spatial-temporal evolution trends are quantified. Finally, the crash risks are classified into high crash risk level, moderate crash risk level, and low crash risk level by the k-means cluster algorithm. Then the threshold boundaries of different crash risk levels are determined. The research results provide a proactive guidance for traffic safety management of urban expressways.

33 ADVANCED PROPULSION SYSTEMS↗
NASA NTRS2011

Framework for Integrating Science Data Processing Algorithms Into Process Control Systems

A software framework called PCS Task Wrapper is responsible for standardizing the setup, process initiation, execution, and file management tasks surrounding the execution of science data algorithms, which are referred to by NASA as Product Generation Executives (PGEs). PGEs codify a scientific algorithm, some step in the overall scientific process involved in a mission science workflow. The PCS Task Wrapper provides a stable operating environment to the underlying PGE during its execution lifecycle. If the PGE requires a file, or metadata regarding the file, the PCS Task Wrapper is responsible for delivering that information to the PGE in a manner that meets its requirements. If the PGE requires knowledge of upstream or downstream PGEs in a sequence of executions, that information is also made available. Finally, if information regarding disk space, or node information such as CPU availability, etc., is required, the PCS Task Wrapper provides this information to the underlying PGE. After this information is collected, the PGE is executed, and its output Product file and Metadata generation is managed via the PCS Task Wrapper framework. The innovation is responsible for marshalling output Products and Metadata back to a PCS File Management component for use in downstream data processing and pedigree. In support of this, the PCS Task Wrapper leverages the PCS Crawler Framework to ingest (during pipeline processing) the output Product files and Metadata produced by the PGE. The architectural components of the PCS Task Wrapper framework include PGE Task Instance, PGE Config File Builder, Config File Property Adder, Science PGE Config File Writer, and PCS Met file Writer. This innovative framework is really the unifying bridge between the execution of a step in the overall processing pipeline, and the available PCS component services as well as the information that they collectively manage.

Mattmann, Chris A.↗
NASA NTRS2015

The Open Data Repositorys Data Publisher

Data management and data publication are becoming increasingly important components of researcher's workflows. The complexity of managing data, publishing data online, and archiving data has not decreased significantly even as computing access and power has greatly increased. The Open Data Repository's Data Publisher software strives to make data archiving, management, and publication a standard part of a researcher's workflow using simple, web-based tools and commodity server hardware. The publication engine allows for uploading, searching, and display of data with graphing capabilities and downloadable files. Access is controlled through a robust permissions system that can control publication at the field level and can be granted to the general public or protected so that only registered users at various permission levels receive access. Data Publisher also allows researchers to subscribe to meta-data standards through a plugin system, embargo data publication at their discretion, and collaborate with other researchers through various levels of data sharing. As the software matures, semantic data standards will be implemented to facilitate machine reading of data and each database will provide a REST application programming interface for programmatic access. Additionally, a citation system will allow snapshots of any data set to be archived and cited for publication while the data itself can remain living and continuously evolve beyond the snapshot date. The software runs on a traditional LAMP (Linux, Apache, MySQL, PHP) server and is available on GitHub (http://github.com/opendatarepository) under a GPLv2 open source license. The goal of the Open Data Repository is to lower the cost and training barrier to entry so that any researcher can easily publish their data and ensure it is archived for posterity.

Astrobiology data↗
DOE OSTI2025

Systems Innovation: Modernization & Efficiencies for ESH&Q Reviews

Environmental compliance reviews at INL have traditionally been managed through fragmented systems, relying on multiple spreadsheets and manual processes. This inefficiency led to time-consuming status updates and redundant tasks, such as manually sending reminder emails and transferring data from Excel to the Environmental Review Process (ERP). Initial attempts to streamline these processes using Power Automate and Excel revealed significant limitations, necessitating a more comprehensive solution. To address these immediate inefficiencies, automated workflows were developed using Power Automate. These workflows were designed to send scheduled status update reminders and capture responses through standardized forms, with submitted data flowing directly into centralized Excel trackers. This automation reduced the administrative burden, improved data accuracy, and enabled faster, more consistent reporting. Specifically, email automation achieved a 65% efficiency gain, while data integration saw a 48% improvement, resulting in 91% of project statuses being updated within two months. Despite the improvements brought by Power Automate, the fragmented nature of the review processes persisted. To further enhance efficiency and accuracy, the Integrated Review Tool (IRT) was developed. The IRT aims to centralize review initiation and connect team systems, creating an interconnected data infrastructure that preserves team autonomy while enhancing overall efficiency. This tool automates email reminders, centralizes reviews, and streamlines data integration, significantly improving the accuracy and efficiency of environmental compliance reviews. The design and development of the IRT involved advanced systems methodology, process mapping, project management, and collaboration with subject matter experts. The minimum viable product design is 100% complete, and system development is currently underway, with expected outcomes including a centralized entry point for all ESH&Q reviews, automated routing, real-time tracking and analytics, AI integration, and a user-friendly interface. This project demonstrates the potential of leveraging automation and integrated systems to enhance efficiency, accuracy, and decision-making in environmental reporting and compliance processes at INL.

99 - GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Integrating quantum computing resources into scientific HPC ecosystems

Quantum Computing (QC) offers significant potential to enhance scientific discovery in fields such as quantum chemistry, optimization, and artificial intelligence. Yet QC faces challenges due to the noisy intermediate-scale quantum era’s inherent external noise issues. Here, this paper discusses the integration of QC as a computational accelerator within classical scientific high-performance computing (HPC) systems. By leveraging a broad spectrum of simulators and hardware technologies, we propose a hardware-agnostic framework for augmenting classical HPC with QC capabilities. Drawing on the HPC expertise of the Oak Ridge National Laboratory (ORNL) and the HPC lifecycle management of the Department of Energy (DOE), our approach focuses on the strategic incorporation of QC capabilities and acceleration into existing scientific HPC workflows. This includes detailed analyses, benchmarks, and code optimization driven by the needs of the DOE and ORNL missions. Our comprehensive framework integrates hardware, software, workflows, and user interfaces to foster a synergistic environment for quantum and classical computing research. This paper outlines plans to unlock new computational possibilities, driving forward scientific inquiry and innovation in a wide array of research domains.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2017

Development of a High-Fidelity Simulation Environment for Shadow-Mode Assessments of Air Traffic Concepts

This paper describes the Shadow-Mode Assessment Using Realistic Technologies for the National Airspace System (SMART-NAS) Test Bed. The SMART-NAS Test Bed is an air traffic simulation platform being developed by the National Aeronautics and Space Administration (NASA). The SMART-NAS Test Bed's core purpose is to conduct high-fidelity, real-time, human-in-the-loop and automation-in-the-loop simulations of current and proposed future air traffic concepts for the United States' Next Generation Air Transportation System called NextGen. The setup, configuration, coordination, and execution of realtime, human-in-the-loop air traffic management simulations are complex, tedious, time intensive, and expensive. The SMART-NAS Test Bed framework is an alternative to the current approach and will provide services throughout the simulation workflow pipeline to help alleviate these shortcomings. The principle concepts to be simulated include advanced gate-to-gate, trajectory-based operations, widespread integration of novel aircraft such as unmanned vehicles, and real-time safety assurance technologies to enable autonomous operations. To make this possible, SNTB will utilize Web-based technologies, cloud resources, and real-time, scalable, communication middleware. This paper describes the SMART-NAS Test Bed's vision, purpose, its concept of use, and the potential benefits, key capabilities, high-level requirements, architecture, software design, and usage.

human-in-the-loop↗
DOE OSTI2026

Netload Range Cost Curves for Coordinated Transmission-Distribution Planning Under DER Growth Uncertainty

The increasing penetration of distributed energy resources (DERs) requires better coordination between transmission and distribution (T&D) planning to ensure system security and cost efficiency. However, misaligned planning horizons, computational burdens, and privacy concerns hinder effective coordination, leading to either underutilized resources caused by overinvestments or reliability risks due to underinvestment. To address this challenge, we introduce netload range cost curves (NRCCs), a novel approach for managing long-term DER growth uncertainty through T&D coordination, while preserving existing data-sharing and regulatory structures. NRCCs provide pairs of (i) peak substation netload guarantees and (ii) corresponding distribution upgrade options and costs, enabling their seamless integration into transmission planning workflows. To compute NRCCs efficiently, we develop a transmission-aware distribution network planning (TADNP), which is subsequently integrated to an iterative computation procedure. These NRCCs are then embedded into an NRCC-informed transmission planning model to enable resource-efficient coordination. We illustrate our proposed approach with a case study based on realistic distribution and transmission systems in the San Francisco Bay Area, California. Our results indicate the possibility of dramatic savings in transmission investments by incorporating the proposed NRCC-integrated T&D coordination framework.

Li, Yujia↗
DOE OSTI2021

Advanced calculations of X-ray spectroscopies with FEFF10 and Corvus

The real-space Green's function code FEFF has been extensively developed and used for calculations of X-ray and related spectra, including X-ray absorption (XAS), X-ray emission (XES), inelastic X-ray scattering, and electron energy-loss spectra. The code is particularly useful for the analysis and interpretation of the XAS fine-structure (EXAFS) and the near-edge structure (XANES) in materials throughout the periodic table. Nevertheless, many applications, such as non-equilibrium systems, and the analysis of ultra-fast pump–probe experiments, require extensions of the code including finite-temperature and auxiliary calculations of structure and vibrational properties. To enable these extensions, we have developed in tandem a new version FEFF10 and new FEFF -based workflows for the Corvus workflow manager, which allow users to easily augment the capabilities of FEFF10 via auxiliary codes. This coupling facilitates simplified input and automated calculations of spectra based on advanced theoretical techniques. The approach is illustrated with examples of high-temperature behavior, vibrational properties, many-body excitations in XAS, super-heavy materials, and fits of calculated spectra to experiment.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2005

Software to Manage the Unmanageable

In 1995, NASA s Jet Propulsion Laboratory (JPL) contracted Redmond, Washington-based Lucidoc Corporation, to design a technology infrastructure to automate the intersection between policy management and operations management with advanced software that automates document workflow, document status, and uniformity of document layout. JPL had very specific parameters for the software. It expected to store and catalog over 8,000 technical and procedural documents integrated with hundreds of processes. The project ended in 2000, but NASA still uses the resulting highly secure document management system, and Lucidoc has managed to help other organizations, large and small, with integrating document flow and operations management to ensure a compliance-ready culture.

Source record↗
NASA NTRS2011

The Invasive Species Forecasting System

The Invasive Species Forecasting System (ISFS) provides computational support for the generic work processes found in many regional-scale ecosystem modeling applications. Decision support tools built using ISFS allow a user to load point occurrence field sample data for a plant species of interest and quickly generate habitat suitability maps for geographic regions of management concern, such as a national park, monument, forest, or refuge. This type of decision product helps resource managers plan invasive species protection, monitoring, and control strategies for the lands they manage. Until now, scientists and resource managers have lacked the data-assembly and computing capabilities to produce these maps quickly and cost efficiently. ISFS focuses on regional-scale habitat suitability modeling for invasive terrestrial plants. ISFS s component architecture emphasizes simplicity and adaptability. Its core services can be easily adapted to produce model-based decision support tools tailored to particular parks, monuments, forests, refuges, and related management units. ISFS can be used to build standalone run-time tools that require no connection to the Internet, as well as fully Internet-based decision support applications. ISFS provides the core data structures, operating system interfaces, network interfaces, and inter-component constraints comprising the canonical workflow for habitat suitability modeling. The predictors, analysis methods, and geographic extents involved in any particular model run are elements of the user space and arbitrarily configurable by the user. ISFS provides small, lightweight, readily hardened core components of general utility. These components can be adapted to unanticipated uses, are tailorable, and require at most a loosely coupled, nonproprietary connection to the Web. Users can invoke capabilities from a command line; programmers can integrate ISFS's core components into more complex systems and services. Taken together, these features enable a degree of decentralization and distributed ownership that have helped other types of scientific information services succeed in recent years.

Schnase, John↗
DOE OSTI2021

Energy Material Network Data Hubs

In early 2015 the United States Department of Energy conceived of a consortium of collaborative bodies based on shared expertise, data, and resources that could be targeted towards the more difficult problems in energy materials research. The concept of virtual laboratories had been envisioned and discussed earlier in the decade in response to the advent of the Materials Genome Initiative and similar scientific thrusts. To be effective, any virtual laboratory needed a robust method for data management, communication, security, data sharing, dissemination, and demonstration to work efficiently and effectively for groups of remote researchers. With the accessibility of new, easily deployed cloud technology and software frameworks, such individual elements could be integrated, and the required collaboration architecture is now possible. The developers have leveraged open-source software frameworks, customized them, and merged them into a platform to enable collaborative energy materials science, regardless of the geographic dispersal of the people and resources. After five years in operations, the systems are demonstratively an effective platform for enabling research within the Energy Material Networks (EMN). This paper will show the design and development of a secured scientific data sharing platform, the ability to customize the system to support diverse workflows, and examples of the enabled research and results connected with some of the Energy Material Networks.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

BUILD: Binary Understanding and Integration Logic for Dependencies (Final Report)

Increasingly diverse mission needs, the emergence of AI and cloud, and increasing hardware diversity are driving HPC software to be more complex. Modern codes are built from hundreds of small, complex components, and much of the software development process involves integrating these components rather than developing new components from scratch. The goal of the BUILD project was to ease the task of software integration for developers across LLNL’s programs. The project focused on (1) modeling software compatibility, (2) modeling ABI compatibility with binary analysis, (3) developing solver techniques to reason about compatibility, and (4) developing AI/ML models to fill gaps in our understanding of software compatibility. The project has developed several key technologies that help developers—by accelerating development workflows, removing the need for rebuilds, and enabling faster, automatic, and less error-prone code sharing. These technologies are used in LLNL codes and will be ready for the new El Capitan Exascale system in Livermore Computing. Many of these technologies have been hardened and integrated with LLNL’s Spack package manager, and they are already in use by production code teams. Results of BUILD have laid the groundwork for future advances in software integration—the ML and binary modification techniques developed in this project still need to be operationalized but have great potential to further speed up software integration.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Integrating and Characterizing HPC Task Runtime Systems for hybrid AI-HPC workloads

Scientific workflows increasingly involve both HPC and machine-learning tasks, combining MPI-based simulations, training, and inference in a single execution. Launchers such as Slurm’s srun constrain concurrency and throughput, making them unsuitable for dynamic and heterogeneous workloads. We present a performance study of RADICAL-Pilot (RP) integrated with Flux and Dragon, two complementary runtime systems that enable hierarchical resource management and high-throughput function execution. Using synthetic and production-scale workloads on Frontier, we characterize the task execution properties of RP across runtime configurations. RP+Flux sustains up to 930 tasks/s, and RP+Flux+Dragon exceeds 1,500 tasks/s with over 99.6% utilization. In contrast, srun peaks at 152 tasks/s and degrades with scale, with utilization below 50%. For IMPECCABLE.v2 drug discovery campaign, RP+Flux reduces makespan by 30–60% relative to srun/Slurm and increases throughput more than four times on up to 1,024. These results demonstrate hybrid runtime integration in RP as a scalable approach for hybrid AI-HPC workloads.

HPC-AI↗
DOE OSTI2024

Improving the User Interface of the DeepLynx Data Warehouse

DeepLynx is an open-source ontology-based data warehouse created by INL to support the creation and life cycle of digital engineering projects, with a particular emphasis on digital twins [1]. Digital twins are systems that represent physical assets and process in a real-time digital environment [1]. Most well-known commercial data warehouses use Graphical User Interfaces (GUIs) for users to interact with their systems [3]. Limited publications have addressed the design of these interfaces and understanding of their target users. The current users and development team acknowledge the need to improve the current UI, not just for aesthetics but to improve functionality and workflow of DeepLynx. Traditional data warehouse users are developers, data scientists and business analysts [2]. DeepLynx users have a vast range of experience using data warehouses, and diverse roles, including engineers, scientists and management positions. Because there is a broader audience of target users for DeepLynx than a typical data warehouse, it is essential that DeepLynx has a useable and intuitive user interface. To achieve this the team performed human-computer interaction methods, including a Heuristic Evaluation of current UI using Neilsen’s Usability Heuristic, create personas based on current users by designing a user survey, data analysis and develop of personas. Followed by a redesign of the UI following using Neilsen’s Usability Heuristic and Norman’s Principles of Interactive Design in industry standard software Figma. Lastly a Heuristic Evaluation of new UI design, using Neilsen’s Usability Heuristic and User testing of redesign UI and have a group of users complete a Thinking Aloud Test of the new UI. Preliminary results of the Heuristic Evaluation of current UI arise issue with Consistency and Standards, Visibility of System Status, Match System and Real World and Recognition Rather than Recall. These issues were addressed in the proposed redesign by applying Neilsen’s Usability Heuristic and Norman’s Principles of Interactive Design. Next steps include formalized list of lessons learned and design implications for future publications.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2017

Risk-Significant Adverse Condition Awareness Strengthens Assurance of Fault Management Systems

As spaceflight systems increase in complexity, Fault Management (FM) systems are ranked high in risk-based assessment of software criticality, emphasizing the importance of establishing highly competent domain expertise to provide assurance. Adverse conditions (ACs) and specific vulnerabilities encountered by safety- and mission-critical software systems have been identified through efforts to reduce the risk posture of software-intensive NASA missions. Acknowledgement of potential off-nominal conditions and analysis to determine software system resiliency are important aspects of hazard analysis and FM. A key component of assuring FM is an assessment of how well software addresses susceptibility to failure through consideration of ACs. Focus on significant risk predicted through experienced analysis conducted at the NASA Independent Verification & Validation (IV&V) Program enables the scoping of effective assurance strategies with regard to overall asset protection of complex spaceflight as well as ground systems. Research efforts sponsored by NASAs Office of Safety and Mission Assurance (OSMA) defined terminology, categorized data fields, and designed a baseline repository that centralizes and compiles a comprehensive listing of ACs and correlated data relevant across many NASA missions. This prototype tool helps projects improve analysis by tracking ACs and allowing queries based on project, mission type, domain/component, causal fault, and other key characteristics. Vulnerability in off-nominal situations, architectural design weaknesses, and unexpected or undesirable system behaviors in reaction to faults are curtailed with the awareness of ACs and risk-significant scenarios modeled for analysts through this database. Integration within the Enterprise Architecture at NASA IV&V enables interfacing with other tools and datasets, technical support, and accessibility across the Agency. This paper discusses the development of an improved workflow process utilizing this database for adaptive, risk-informed FM assurance that critical software systems will safely and securely protect against faults and respond to ACs in order to achieve successful missions.

IV&V↗