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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Ground Systems Development Environment (GSDE) software configuration management

This report presents a review of the software configuration management (CM) plans developed for the Space Station Training Facility (SSTF) and the Space Station Control Center. The scope of the CM assessed in this report is the Systems Integration and Testing Phase of the Ground Systems development life cycle. This is the period following coding and unit test and preceding delivery to operational use. This report is one of a series from a study of the interfaces among the Ground Systems Development Environment (GSDE), the development systems for the SSTF and the SSCC, and the target systems for SSCC and SSTF. This is the last report in the series. The focus of this report is on the CM plans developed by the contractors for the Mission Systems Contract (MSC) and the Training Systems Contract (TSC). CM requirements are summarized and described in terms of operational software development. The software workflows proposed in the TSC and MSC plans are reviewed in this context, and evaluated against the CM requirements defined in earlier study reports. Recommendations are made to improve the effectiveness of CM while minimizing its impact on the developers.

Church, Victor E.↗
NASA NTRS2009

Towards PCC for Concurrent and Distributed Systems (Work in Progress)

We outline some conceptual challenges in extending the PCC paradigm to a concurrent and distributed setting, and sketch a generalized notion of module correctness based on viewing communication contracts as economic games. The model supports compositional reasoning about modular systems and is meant to apply not only to certification of executable code, but also of organizational workflows.

Henriksen, Anders S.↗
NASA NTRSDate not supplied

Updates to PATO’s Thermo-Mechanical Model

The solid mechanics module within the Porous material Analysis Toolbox (PATO) material response code was updated to model the stress contribution from both internal pressure and pyrolysis shrinkage as function of material’s decomposition. Incorporating these physical phenomena, alongside the previously included temperature dependent mechanical properties, thermal expansion, and aerodynamic loads, allows for a more accurate thermo-mechanical behavior modeling of Thermal Protection System (TPS) materials, which is critical to assess spallation risks during atmospheric entry. This poster outlines the workflow for obtaining the necessary PATO inputs, derived from dilatometry experiments, which are used to model the stress field in TPS materials due to thermal expansion and pyrolysis shrinkage. Furthermore, to analyze the relevance of the stress contribution from the internal pressure, a study was conducted using TACOT with different permeability values.

TPS↗
DOE OSTI2022

Open-source FPGA-ML codesign for the MLPerf Tiny Benchmark

We present our development experience and recent results for the MLPerf Tiny Inference Benchmark on field-programmable gate array (FPGA) platforms. We use the open-source hls4ml and FINN workflows, which aim to democratize AI-hardware codesign of optimized neural networks on FPGAs. We present the design and implementation process for the keyword spotting, anomaly detection, and image classification benchmark tasks. The resulting hardware implementations are quantized, configurable, spatial dataflow architectures tailored for speed and efficiency and introduce new generic optimizations and common workflows developed as a part of this work. The full workflow is presented from quantization-aware training to FPGA implementation. The solutions are deployed on system-on-chip (Pynq-Z2) and pure FPGA (Arty A7-100T) platforms. The resulting submissions achieve latencies as low as 20 $\mu$s and energy consumption as low as 30 $\mu$J per inference. We demonstrate how emerging ML benchmarks on heterogeneous hardware platforms can catalyze collaboration and the development of new techniques and more accessible tools.

Borras, Hendrik↗
DOE OSTI2026

Prime Time for Model-Predictive Control? Assessing the Technical and Market Readiness of Advanced Controls in Buildings

Despite three decades of extensive research and field testing that have consistently validated the benefits of Model Predictive Control (MPC) in building applications, the technology has seen limited market adoption. This paper evaluates the readiness of MPC for widespread deployment, showcases recent demonstrations and field tests across diverse building types, including residential, small commercial, large commercial, and campus settings. Our results demonstrate that MPC can optimize system operations to achieve load shifting, minimize curtailment of on-site generation, and reduce energy costs by up to 80 %, while maintaining or improving occupant comfort. We also show that MPC can effectively control large assets, such as MW-sized thermal storage systems, and respond to dynamic pricing signals. However, achieving scale remains difficult due to labor-intensive workflows, reliance on a “PhD-in-the-loop” for MPC design and maintenance, susceptibility to fragile data infrastructure, and persistent workforce education and acceptance barriers. To bridge this gap, we outline a transition from bespoke, labor intensive prototypes toward streamlined, segment-targeted deployment strategies that leverage model templates, semantic tools, and generative AI. By automating control configuration and reducing engineering effort, these recommendations provide a pathway for transforming successful research demonstrations into scalable, market ready solutions for MPC-based controls.

Pritoni, Marco↗
DOE OSTI2025

Accelerating Discovery of Solid‐State Thin‐Film Metal Dealloying for 3D Nanoarchitecture Materials Design through Laser Thermal Gradient Treatment

Thin‐film solid‐state metal dealloying (thin‐film SSMD) is a promising method for fabricating nanostructures with controlled morphology and efficiency, offering advantages over conventional bulk materials processing methods for integration into practical applications. Although machine learning (ML) has facilitated the design of dealloying systems, the selection of key thermal treatment parameters for nanostructure formation remains largely unknown and dependent on experimental trial and error. To overcome this challenge, a workflow enabling high‐throughput characterization of thermal treatment parameters is demonstrated using a laser‐based thermal treatment to create temperature gradients on single thin‐film samples of Nb‐Al/Sc and Nb‐Al/Cu. This continuous thermal space enables observation of dealloying transitions and the resulting nanostructures of interest. Through synchrotron X‐ray multimodal and high‐throughput characterization, critical transitions and nanostructures can be rapidly captured and subsequently verified using electron microscopy. The key temperatures driving chemical reactions and morphological evolutions are clearly identified. While the oxidation may influence nanostructure formation during thin‐film treatment, the dealloying process at the dealloying front involves interactions solely between the dealloying elements, highlighting the availability and viability of the selected systems. Further, this approach enables efficient exploration of the dealloying process and validation of ML predictions, thereby accelerating the discovery of thin‐film SSMD systems with targeted nanostructures.

36 MATERIALS SCIENCE↗
NASA NTRSDate not supplied

Advancing Wildfire Monitoring with TEMPO and ML tools: Hourly Smoke and Fire‑Front Mapping and Near‑Surface NO₂ Predictions

Wildfires impose substantial impacts on communities and regions downwind of wildfire smoke. We present a TEMPO‑enabled workflow that generates value‑added Level‑3 smoke‑plume masks and fire‑front maps for large wildfires, such as 2024 Park Fire, using the self‑supervised deep learning system SIT‑FUSE, along with near‑surface NO₂ predictions produced by a foundation model (Microsoft Aurora). We conclude by outlining a roadmap for expanding these capabilities to additional Western U.S. wildfire events and for delivering actionable tools to stakeholders. This open-source, reproducible workflow provides a scalable framework for cross-agency wildfire monitoring to overcome traditional limitations in smoke-cloud discrimination and air-quality forecasting by incorporating TEMPO data and beyond.

Xiaohua Pan↗
DOE OSTI2020

Automatic log analysis with NLP for the CMS workflow handling

The central Monte-Carlo production of the CMS experiment utilizes the WLCG infrastructure and manages daily thousands of tasks, each up to thousands of jobs. The distributed computing system is bound to sustain a certain rate of failures of various types, which are currently handled by computing operators a posteriori. Within the context of computing operations, and operation intelligence, we propose a Machine Learning technique to learn from the operators with a view to reduce the operational workload and delays. This work is in continuation of CMS work on operation intelligence to try and reach accurate predictions with Machine Learning. We present an approach to consider the log files of the workflows as regular text to leverage modern techniques from Natural Language Processing (NLP). In general, log files contain a substantial amount of text that is not human language. Therefore, different log parsing approaches are studied in order to map the log files’ words to high dimensional vectors. These vectors are then exploited as feature space to train a model that predicts the action that the operator has to take. This approach has the advantage that the information of the log files is extracted automatically and the format of the logs can be arbitrary. In this work the performance of the log file analysis with NLP is presented and compared to previous approaches.

Layer, Lukas↗
NASA NTRS2020

Unstructured Grid Development for the Space Launch System Liftoff and Transition Lineloads Computational Analysis

Production of aerodynamic lineloads databases for the Space Launch System (SLS) vehicle at Liftoff and Transition (LOT) conditions has required the development of a Computational Fluid Dynamics (CFD) workflow capable of producing high-quality solutions for this unique phase of flight. Aerodynamic considerations included a wide range of flow angles (from 0°up to 90°total angle of attack), resulting leeside separation, and interaction effects between the three bodies of the integrated SLS vehicle, as well as the nearby launch tower. Computational mesh development for similar problems at the NASA Langley Research Center (such as for the Constellation/Ares launch vehicles) has primarily relied on in-house tools such as VGRID/POSTGRID, with grids designed for NASA-developed and maintained flow solvers such as USM3D and FUN3D. The workflow for such problems has evolved over the development of the various SLS configurations to incorporate new tools such as the Heldenpatch/Heldenmesh grid generator (Helden Aerospace) and CREATE-AV Kestrel (US Department of Defense) flow solver. This paper describes efforts to benchmark a grid generation approach for LOT problems using Heldenpatch/Heldenmesh and Kestrel, verified against prior best practices from VGRID/POSTGRID. Parameters studied include surface grid density, first-layer viscous cell height, and volume grid growth rate parameters. Resulting solutions are compared based on total force and moment values, sectional line loads, and surface pressures, all validated against existing wind tunnel aerodynamic databases where available for the SLS Block 1B Cargo configuration.

Space launch systems↗
DOE OSTI2026

Accelerating Next-Generation Cybersecurity R&D Using AI Workflows: BADGER Project Development

The Broadband Automation for Distributed Grid Efficiency and Resilience (BADGER) project aligns with national strategic priorities for integrating emerging wireless technologies and advancing AI-driven security. As critical infrastructure modernizes toward increasingly software-defined and interconnected systems, the ability to leverage 5G/NextG networks and AI-enabled control becomes essential. This report outlines work at the National Laboratory of the Rockies (NLR) to develop a NextG-native security architecture powered by AI-RAN concepts and evaluate workflows that enable efficient and reliable architectures. Together, these efforts position the laboratory to accelerate innovation while directly supporting national security and resilience objectives.

5G/6G↗
DOE OSTI2023

S4PST: Sustainability for Programming Systems and Tools: May Workshop Report

The US Department of Energy (DOE) Exascale Computing Project (ECP) has fostered and strengthened the use of modern software engineering practices for developing applications and libraries, and this effort has resulted in the coordinated and interoperable E4S1 and xSDK2 ecosystems. Although this approach is cost-effective, it relies on robust programming systems and tools (PST) as the underlying foundation for our HPC software. At present, our primary PST stack consists of traditional high-performance computing (HPC) languages, namely Fortran, C, C++, and the popular Python language for data analysis and AI workflows. These languages support various programming frameworks and run-time abstractions that enable parallelism and concurrency across multiple node architectures and thousands of nodes through a variety of interconnect systems. However, to accommodate users’ diverse needs, certain aspects of the HPC ecosystem are delegated to vendor-specific or third-party implementations that extend beyond a particular scientific domain. This broader scope results in a multitude of specifications and variations, which leads to a complex orchestration of many-ecosystems. Unfortunately, this complexity in the ecosystem imposes additional overhead costs on consumers during the latter stages of the development cycle. In addition to the software ecosystem challenge, the upcoming conclusion of the ECP by December 2023 has raised significant concerns within the HPC programming systems community, from both the economic and social perspectives. The ECP has implemented a management structure for software development and funding decisions across all ECP participants by following a conventional hierarchical and centralized approach. However, this structure has prompted certain considerations within the community, particularly in anticipation of the Software Sustainability initiative by the DOE’s Advanced Scientific Computing Research Program (ASCR). For the success of this new initiative, it is of utmost importance to secure consistent funding and foster close engagement with researchers and core developers of existing programming-system products. This collaboration is vital to maintaining the critical capabilities of the current software during the transition phase while proactively adapting to future technology and workforce trends. The community recognizes the significance of adapting to emerging trends and is aware of the inherent fragility of the HPC software ecosystem, particularly in relation to programming systems that cater to all users. The ability to adapt and evolve is essential to staying relevant and effectively addressing these technical, economic, and social challenges. The S4PST team, which represents one of the six ASCR Software Sustainability seedling projects, is dedicated to tackling these challenges through community-based approaches that go beyond the scope of the DOE. This involves collaboration between national laboratories with academia, non-DOE institutions, hardware and system vendors, and international partners. By fostering these partnerships, we aim to create a robust and sustainable HPC software ecosystem that can effectively meet the needs of the community. This new community effort, driven by the eight DOE labs, will take on the responsibility of guiding funding decisions for programming-systems development and maintenance with transparency and consistency across all decisions. Additionally, the team will offer common technical services to the programming systems community, irrespective of their funding situations, and facilitate community-wide incubation to proactively nurture the software ecosystem. By actively engaging with stakeholders and employing a collaborative approach, we can collectively shape the future of programming systems and ensure a robust and thriving HPC software landscape. On May 11–12, 2023, the S4PST team conducted its inaugural kick-off workshop at the Innovative Computing Laboratory (ICL) in the University of Tennessee, Knoxville, hosted by Hartwig Anzt. The workshop encompassed various sessions dedicated to presentations and discussions, with the aim of comprehending the team members’ perspectives on the vision of software sustainability. Additionally, the workshop aimed to identify the technical, economic, and social requirements for sustaining the programming-systems community in the field of HPC. This report provides a summary of the S4PST effort by highlighting five major thrust areas discussed during the workshop: (i) community, (ii) technical support, (iii) training and diversity, (iv) verification, validation and correctness, and (v) emerging technologies. It also encompasses an overview of the presentations and discussions held throughout the event, our views and potential synergies with other seedling efforts, along with the outcomes and key takeaways from our initial discussions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Toward Accelerating Discovery via Physics-Driven and Interactive Multifidelity Bayesian Optimization

Both computational and experimental material discovery bring forth the challenge of exploring multidimensional and often nondifferentiable parameter spaces, such as phase diagrams of Hamiltonians with multiple interactions, composition spaces of combinatorial libraries, processing spaces, and molecular embedding spaces. Often these systems are expensive or time consuming to evaluate a single instance, and hence classical approaches based on exhaustive grid or random search are too data intensive. This resulted in strong interest toward active learning methods such as Bayesian optimization (BO) where the adaptive exploration occurs based on human learning (discovery) objective. However, classical BO is based on a predefined optimization target, and policies balancing exploration and exploitation are purely data driven. In practical settings, the domain expert can pose prior knowledge of the system in the form of partially known physics laws and exploration policies often vary during the experiment. Here, we propose an interactive workflow building on multifidelity BO (MFBO), starting with classical (data-driven) MFBO, then expand to a proposed structured (physics-driven) structured MFBO (sMFBO), and finally extend it to allow human-in-the-loop interactive interactive MFBO (iMFBO) workflows for adaptive and domain expert aligned exploration. These approaches are demonstrated over highly nonsmooth multifidelity simulation data generated from an Ising model, considering spin–spin interaction as parameter space, lattice sizes as fidelity spaces, and the objective as maximizing heat capacity. Detailed analysis and comparison show the impact of physics knowledge injection and real-time human decisions for improved exploration with increased alignment to ground truth. Here, the associated notebooks allow to reproduce the reported analyses and apply them to other systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

SMART Mobility. Mobility Decision Science Capstone Report

The U.S. Department of Energy’s Systems and Modeling for Accelerated Research in Transportation (SMART) Mobility Consortium is a multiyear, multi-laboratory collaborative, managed by the Energy Efficient Mobility Systems Program of the Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office, dedicated to further understanding the energy implications and opportunities of advanced mobility technologies and services. The first three-year research phase of SMART Mobility occurred from 2017 through 2019, and included five research pillars: Connected and Automated Vehicles, Mobility Decision Science, Multi-Modal Freight, Urban Science, and Advanced Fueling Infrastructure. A sixth research thrust integrated aspects of all five pillars to develop a SMART Mobility Modeling Workflow to evaluate new transportation technologies and services at scale. This report summarizes the work of the Mobility Decision Science Pillar. The Mobility Decision Science Pillar sought to fill gaps in existing knowledge about the human role in the mobility system including travel decision-making and technology adoption in the context of future mobility. The objective was to study how underlying preferences, needs, and contextual factors might constrain or hasten future transportation system scenarios. For information about the other Pillars and about the SMART Mobility Modeling Workflow, please refer to the relevant pillar’s Capstone Report.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2026

pyRMG: A framework for high-throughput, large-cell DFT calculations on supercomputers

Exascale computing delivers the raw power to simulate ever larger and more chemically realistic systems, but realizing this potential requires codes that can efficiently use thousands of processors. Our real-space multigrid (RMG) density functional theory (DFT) code’s grid-decomposition approach scales nearly linearly with the number of graphics processing units (GPUs), even for simulations exceeding thousands of atoms. This scalability makes RMG a compelling tool for high-throughput DFT studies of materials that would otherwise be bottlenecked in other codes (for example, by global fast Fourier transforms in plane-wave DFT). However, the limited workflow infrastructure for RMG has thus far constrained its adoption to a small user community. In this work, we present pyRMG, a Python package designed to streamline the setup and execution of RMG DFT calculations. Built on the pymatgen and ASE (Atomic Simulation Environment) computational materials science Python packages, pyRMG automates input generation and convergence checking, and it integrates with modern job schedulers (e.g., Flux) on leadership-class platforms such as Frontier and Perlmutter. Here, we demonstrate pyRMG for a high-throughput study of strain effects in 2D 2L-Bi 2 Se 3 /2L-NbSe 2 heterostructures, which offers chemical insights into this system and shows that RMG-based workflows can converge with limited user intervention.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

A Parametric Battery Model for the Conceptual Design of Electric Aircraft

Electric aircraft conceptual designs usually have an assumed specific power and specific energy for the aircraft’s energy storage system that dictates the total capacity and the peak power available. The specific energy and power are inherently linked to the state-of-charge and discharge rate from which they were derived; therefore, they will not directly correspond to the diverse circumstances encountered in various aircraft missions and flight segments. These parameters turn the battery system into a black box, disregard potential electrical restrictions, and disallow the aircraft and battery to be optimized as a system. Peering into this box, this study highlights the importance of incorporating a parametric battery model into the conceptual design workflow by splitting high-level terms such as power into voltage and current and investigating their variability during the discharge process. Through the modeling of these more detailed parameters, this methodology shows the feasibility of using low states-of-charge for contingency operations, including the end of the reserve mission, expanding the amount of usable capacity for electric aircraft. Stark differences in aircraft capabilities can arise between varying fidelity battery models due to late-mission, high-power flight operations. This parametric battery model effectively captures these differences by evaluating the limitations that arise within the individual battery cells and the aircraft powertrain. This paper shows that the unusable charge of a battery is set by the balked landing power requirement and can realistically range from 5% to 44% based on assumptions. This sets the analog to unusable fuel capacity in aircraft with liquid fuel systems. Needing only aircraft- and mission-level inputs and only seconds of run time, this model is a prime fit for the fast, accurate exploration of the electric aircraft conceptual design space.

Battery↗
DOE OSTI2026

The U.S. Agrivoltaic Shading Tool: A National-Scale Interface for Modeling Light and Shade Patterns in Ten Common Agrivoltaic Configurations

Agrivoltaic systems are dual-use configurations that co-locate agriculture and photovoltaic (PV) infrastructure and require careful design to balance crop performance and energy generation. A critical element of agrivoltaic design is the spatial and temporal distribution of irradiance and shade within and around PV arrays. To support research, planning, and stakeholder decision-making, we introduce the U.S. Agrivoltaic Shading Tool, a novel web-based application that delivers high-resolution irradiance and photosynthetically active radiation (PAR) modeling for ten standardized PV configurations across the conterminous United States. The tool leverages the National Laboratory of the Rockies (NLR) System Advisor Model (SAM) to perform detailed irradiance simulations, using meteorological data from the National Solar Radiation Database (NSRDB). Outputs include seasonal, monthly, weekly, and diurnal patterns of available sunlight, amount of shade, irradiance, and PAR at ground level within agrivoltaic system footprints. For a user's selected location, these results are visualized through interactive visualizations, heatmaps, and time-series plots, designed to be accessible to both technical and non-technical users. In addition to facilitating rapid spatial exploration of agrivoltaic light environments, the tool will offer seamless integration with the InSPIRE Agrivoltaics Design and Analysis Model (ADAM). This optional workflow will allow users to port selected site and configuration parameters into a more advanced modeling environment for further customization of structural layouts, crop-system compatibility, power generation, and technoeconomic performance. Finally, to promote open science, the entire dataset will be hosted and available for open access through the OpenEI platform. By standardizing and disseminating high-quality irradiance data and design tools, the U.S. Agrivoltaic Shading Tool supports a wide range of users, including researchers, landowners, energy developers, and policymakers, in evaluating the agronomic and energetic feasibility of agrivoltaic systems across the United States.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2025

Integration of a real-time orientation measurement system for a real-time evaluator (RTE) to measure the position and orientation of crane-lifted components

Prefabrication of building components holds the potential to revolutionize the construction industry. Prefabrication consists of manufacturing building components, modules, and other elements in a factory to be shipped and installed on a construction site. Prefabricated components have been produced for various applications including precast concrete panels for new construction and exterior wall retrofits. The manufacturing process has seen much innovation in recent years; however, the installation process has seen minimal advancements. A real-time evaluator (RTE) was developed to reduce the installation cost of prefabricated components by reducing installation time, decreasing rework, and improving accuracy. The RTE uses off-the-shelf hardware and novel algorithms to assist erectors with component installation by measuring the real-time positions of connections and prefabricated components, providing installation guidance through a graphical user interface, and monitoring the accumulated installation errors. An overview of the RTE and the proposed workflow is presented. Previous on-site demonstrations provided valuable feedback from users on the potential areas for improvement of the system. One common request was real-time measurement of component orientation during lifting, a process that previously required that the component remain stationary while the laser tracker cycled through target prisms. This paper will present the incorporation and testing of a real-time orientation measurement system as it was implemented into the RTE, allowing for measurement of component orientation during movement.

Selvakumar, Balaji [ORNL]↗
DOE OSTI2025

Extraction and Analysis of Time Series Data from Building Automation Systems Using Large Language Models

Semantic schemas like Haystack 4, Brick and ASHRAE standard 223 enable the structured, standardized, and machine-readable representation of building data, facilitating interoperability, data integration, and advanced analytics. However, extracting information from these models requires specialized expertise in SPARQL and other programming languages, skills that are not commonly found among building professionals. Recent advancements in Large Language Models (LLMs), such as ChatGPT, enable the construction of queries using natural language, making it easier for individuals to interact with these systems in a manner that resembles everyday speech. However, these methods have not yet been tested on building semantic ontologies. This paper introduces a novel workflow and tool for enabling users to ask questions about a specific building's data, using natural language and receive answers automatically generated by GPT-4o. Our approach integrates semantic ontologies with advanced LLM capabilities to automate three critical steps: (1) generating SPARQL queries to retrieve time series references from ontological models, (2) extracting the corresponding time series data from the Building Automation System, and (3) performing computations and visualizations tailored to the user's query. The proposed method simplifies access to BAS data, allowing both domain experts and non-specialists to conduct sophisticated analyses without needing extensive technical knowledge of semantic web technologies. By demonstrating this pipeline, we facilitate more accessible and scalable data-driven decision-making in building operations and management.

Mulayim, Ozan Baris↗