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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 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Illuminating the Material World: Autonomous Microscopy to Understand Order, Disorder, and Everything In Between

Artificial intelligence (AI) holds immense promise for revolutionizing microscopy, yet its widespread adoption has been hindered by challenges ranging from user inexperience to limited model transferability and difficulties in operationalizing machine learning. This presentation showcases our approach to developing practical autonomy for materials discovery, aiming to accelerate the integration of AI into everyday microscopy workflows. As shown in Fig. 1, I will focus on three key areas: understanding order-disorder transitions, quantifying point defects, and achieving truly device-scale microscopy. First, I will demonstrate the power of multi-modal knowledge graphs for integrating diverse microscopy data. By combining imaging, spectroscopy, and diffraction data, these graphs provide a holistic view of material behavior, capturing the intricate relationships between different modalities [1,2]. I will present a case study on how these models illuminate the structural and chemical changes associated with irradiation in oxide thin films, revealing critical insights for designing materials for extreme environments like spaceflight and nuclear energy. Specifically, I will show how multi-modal analysis clarifies the evolution of order-disorder transitions under irradiation, a key factor influencing material performance in these applications. Next, I will address the challenge of quantifying point defects in 2D materials. We demonstrate the application of computer vision and transfer learning to accurately identify and classify various defect types, such as vacancies and substitutional atoms, and to quantify their concentrations. This information is crucial for understanding and tailoring the properties of 2D materials for applications in electronics, optoelectronics, and catalysis. For example, I will show how our models can characterize the topological distribution of point defects in MXene transition metal carbides, providing valuable insights for optimizing their performance in energy storage and separation science. Finally, I will discuss our progress toward autonomous device-scale microscopy [3,4]. We are fundamentally redesigning electron microscopes around the principles of machine reasoning, enabling automation beyond basic tasks like sample navigation and data acquisition to include sophisticated experimental design. This approach paves the way for truly reproducible and massively scaled analysis campaigns. I will emphasize the importance of autonomous microscopy platforms for high-throughput materials discovery and characterization, facilitating the rapid screening of materials for a broad range of applications and accelerating the development of next-generation technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Interpretable Deep Learning for Advancing Field-Enhanced Catalysis

This DOE Early Career project developed a physics-informed, interpretable AI-and-modeling framework to understand and exploit electric-field effects in heterogeneous catalysis, with ammonia cracking and synthesis as a representative pathway. The team built and validated methods to map local electric fields on metal surfaces and nanoparticles, showing that low-coordination features (tips/edges/corners) can concentrate fields by several-fold relative to flat facets. Using DFT-generated datasets, the project created physics-guided machine learning models that rapidly predict local electric fields and field-dependent adsorption energetics with near-DFT accuracy while reducing computational cost by orders of magnitude. These predictions were integrated with microkinetic modeling to quantify how field-dipole interactions reshape reaction energetics and mechanisms, enabling large increases in predicted catalytic rates and substantial reductions in operating temperature under favorable field conditions. To accelerate discovery of earth-abundant catalysts, the project combined interpretable ML screening (with electronic-structure descriptors identified as key drivers) with a generative inverse-design workflow based on diffusion models and physics constraints. The resulting closed-loop approach, linking simulation, mechanistic modeling, and AI, provides reusable tools and datasets for designing catalysts and operating conditions in field-enhanced catalysis, with broad relevance to electrostatic catalysis, plasma catalysis, electrocatalysis, and other energy-related chemical transformations.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2026

Deliberate Motion Analytics Applied to CUAS Sensor Fusion

The Advanced Reactor Safeguards and Security (ARSS) program in the Department of Energy’s Office of Nuclear Energy (DOE-NE) seeks to identify new technology solutions for safeguards and security challenges associated with domestic deployment of advanced nuclear reactors. Research in the ARSS program is investigating alternative physical protection system (PPS) approaches that leverage new detection technologies. This report shows test results from a new form of artificial intelligence (AI) that is called deliberate motion analytics (DMA) when used to spatially and temporally fuse active radar and passive radio frequency (RF) detection that significantly improves detection of uncrewed aircraft systems (UASs). DMA is designed to filter out false positive alarms yet provide highly reliable intrusion detection at nuclear power plants (NPPs) and advanced small modular reactor (ASMR) perimeters. This form of AI is considered to be an enabling technology for security of the future and supports the ARSS investigation of alternative PPSs.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2026

Modeling Framework for Data Center

This chapter highlights the critical need for advanced modeling of data centers due to their rapidly increasing energy consumption and impact on grid reliability. Driven by the demand for AI applications, data centers are projected to consume a significant portion of US energy by 2028, putting stress on an already challenged power grid. The chapter emphasizes the importance of "fast" time-scale models to understand the dynamic interactions between data centers and the grid, especially given the rapid power fluctuations of AI workloads. It outlines a modeling framework that includes both offline and real-time EMT domain simulations, detailing the necessary representations for various components like utility interfaces, transformers, IT loads, UPS, cooling loads, Battery Energy Storage Systems (BESS), generators, protection systems, and higher-level control systems. While standard simulation tools like PSCAD offer basic models, custom development is often required to accurately capture the unique and fast-changing behaviors of modern data centers. The chapter also discusses key metrics and test cases for validating these models, focusing on transient load responses, protection relay coordination, and demand flexibility. Finally, it addresses the challenges of modeling large-scale data centers, such as computational complexity and the trade-off between model fidelity and practicality, suggesting hybrid modeling approaches as a solution. The overarching goal is to create a robust framework that helps assess data center impacts on grid stability, identify vulnerabilities, and inform the development of standards for reliable integration of these large loads into the bulk power system.

25 ENERGY STORAGE↗
DOE OSTI2026

Data Center Market Report

The data center market is poised to explode in the coming decade due to undeniable drivers such as continued adoption of generative AI, increased data storage needs, and enterprise integration of AI in numerous industries [1] [2] [3]. Scalable power and increased computational capacity are at the forefront of considerations for hyperscalers, the major cloud service providers in this space. Lawrence Livermore National Laboratory is uniquely poised to help with informed decision making for data center market leaders during this phase of explosive expansion. National grid modeling expertise and cutting edge innovations in computer cooling systems place LLNL in an enviable position for creating economic impact in the data center industry by leveraging its expertise in these areas which can help the data center market keep up with growing demand.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Storing Affordability: Battery Storage as an Asset to Reduce Data Center Cost Shifts

This report examines how battery energy storage systems (BESS) can help utilities accommodate large load growth while protecting affordability for existing ratepayers. Rapid growth in electricity demand from artificial intelligence (AI) data centers is straining the U.S. grid. Furthermore, many new data centers are entering rural markets, which could offer economic benefits but may also pose implementation challenges for smaller utilities. At the same time, retail electricity prices are increasing faster than inflation, elevating customer affordability as a key challenge. While data centers have not been the primary driver of increases in residential prices to date, they have pushed wholesale energy and capacity prices higher in several markets. Fundamental utility cost-allocation principles show that data center growth can be rate-positive for existing customers only if new peak demand grows faster than the costs a utility must incur to serve it. Several factors, including a utility’s degree of wholesale market exposure, forecast uncertainty and stranded-asset risk, and tariff design can determine the outcome of load growth on retail rates. Energy storage can make several affordability contributions in the face of this landscape of uncertainty and market volatility, including deferral of higher-cost grid investments through improved utilization of existing assets and flexibility of new large loads, insulation from volatile wholesale prices through peak shaving, and reliability support to address grid risks stemming from the behavior of AI data center loads. Different potential BESS deployment pathways—utility-scale front-of-the-meter systems, aggregated small-scale storage installations, and data center-sited behind-the-meter storage—are compared against each other and against conventional capacity alternatives. This framework is intended as a conceptual resource to utilities, particularly smaller public utilities with rural service territories, who may be considering the role that energy storage can play in insulating existing ratepayers from data center cost shifts.

25 ENERGY STORAGE↗
DOE OSTI2026

A Methodology to Evaluate the Grid Reliability Impact of Oscillations Induced by Large Loads

The rapid growth of hyperscale AI data centers is bringing renewed attention to the reliability risk that sustained forced oscillations pose to bulk power systems, with cyclic computational workloads emerging as a new forcing source. Unlike the broadband, stochastic disturbances from traditional industrial loads such as arc furnaces, AI training and inference facilities can inject large active power swings concentrated at specific frequencies over extended durations - characteristics that existing grid planning practices do not account for. While the North American Electric Reliability Corporation (NERC) has recognized this gap and called for system-level studies of large load interconnections, no standardized methodology exists to screen, simulate, and quantify these risks at the planning stage. This report presents the Risk Assessment Tool for Large Load-induced Events (RATLLE), a Python-based, publicly available script suite developed at the Pacific Northwest National Laboratory to evaluate bulk power system reliability risks from data center-induced oscillations. RATLLE implements a three-module workflow: a screening module that identifies vulnerable interconnection locations and excitable system modes; a simulation module that models cyclic data center load behavior using a commercial positive sequence simulation platform; and an analysis module that computes risk metrics and generates interactive visualization dashboards. The risk metrics, formulated around simulation observables, map oscillation impacts to a three-stage severity scale spanning latent equipment fatigue through imminent cascading failure. The methodology is demonstrated on two Western Electricity Coordinating Council (WECC) system models: a publicly available 240-bus reduced representation and a detailed 2031 Heavy Winter planning case. Case studies illustrate that even modest 50 MW forced oscillations at resonant frequencies can produce wide-area power swings, N-1 security constraint violations, and cascading generator trips through protection actions - outcomes that would not occur under normal operating conditions without oscillations present. The results underscore the need for standardized oscillation impact assessment in large load interconnection studies and provide a reproducible, extensible framework for utilities to adopt or customize within their existing planning workflows.

Biswas, Shuchismita↗
DOE OSTI2024

Teaching Freight Mode Choice Models New Tricks Using Interpretable Machine Learning Methods

Understanding and forecasting the intricate freight mode choice behavior under various industry, policy, and technology contexts is essential in freight planning and policymaking. Numerous models have been developed in prior studies to provide insights into freight mode selection, the majority of which use discrete choice models such as multinomial logit (MNL) models. However, logit models often rely on linear specifications of independent variables, despite potential nonlinear relationships in the data. Moreover, there often lacks a heuristic and efficient approach to identify such complex relationships to define the logit model specifications. To fill this gap, we developed an MNL model for freight mode choice using the insights from state-of-the- art machine learning (ML) models. ML models can capture the nonlinear nature of the complex decision-making process, and recent advances in 'explainable AI' have greatly improved their interpretability. The interpretable ML methods help enhance the performance of MNL models and advance knowledge of freight mode choice. Specifically, the influential factors and their relationship with individual modes are identified using SHapley Additive exPlanations (SHAP) to improve the MNL's performance. The workflow is demonstrated in a case study of Austin, Texas, and the SHAP results reveal multiple nonlinear relationships predicted by ML models. Incorporating those relationships into MNL model specifications improves the interpretability and accuracy of the MNL model compared to a conventional MNL model. Findings from this study can be used to guide freight planning and inform policymakers and practitioners on how key factors affect freight decision-making.

ADVANCED PROPULSION SYSTEMS,MATHEMATICS AND COMPUT↗
DOE OSTI2025

Computational tools and data integration to accelerate vaccine development: challenges, opportunities, and future directions

The development of effective vaccines is crucial for combating current and emerging pathogens. Despite significant advances in the field of vaccine development there remain numerous challenges including the lack of standardized data reporting and curation practices, making it difficult to determine correlates of protection from experimental and clinical studies. Significant gaps in data and knowledge integration can hinder vaccine development which relies on a comprehensive understanding of the interplay between pathogens and the host immune system. In this review, we explore the current landscape of vaccine development, highlighting the computational challenges, limitations, and opportunities associated with integrating diverse data types for leveraging artificial intelligence (AI) and machine learning (ML) techniques in vaccine design. We discuss the role of natural language processing, semantic integration, and causal inference in extracting valuable insights from published literature and unstructured data sources, as well as the computational modeling of immune responses. Furthermore, we highlight specific challenges associated with uncertainty quantification in vaccine development and emphasize the importance of establishing standardized data formats and ontologies to facilitate the integration and analysis of heterogeneous data. Through data harmonization and integration, the development of safe and effective vaccines can be accelerated to improve public health outcomes. Looking to the future, we highlight the need for collaborative efforts among researchers, data scientists, and public health experts to realize the full potential of AI-assisted vaccine design and streamline the vaccine development process.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

A New Modeling Framework for Geothermal Operational Optimization with Machine Learning (GOOML)

Geothermal power plants are excellent resources for providing low carbon electricity generation with high reliability. However, many geothermal power plants could realize significant improvements in operational efficiency from the application of improved modeling software. Increased integration of digital twins into geothermal operations will not only enable engineers to better understand the complex interplay of components in larger systems but will also enable enhanced exploration of the operational space with the recent advances in artificial intelligence (AI) and machine learning (ML) tools. Such innovations in geothermal operational analysis have been deterred by several challenges, most notably, the challenge in applying idealized thermodynamic models to imperfect as-built systems with constant degradation of nominal performance. This paper presents GOOML: a new framework for Geothermal Operational Optimization with Machine Learning. By taking a hybrid data-driven thermodynamics approach, GOOML is able to accurately model the real-world performance characteristics of as-built geothermal systems. Further, GOOML can be readily integrated into the larger AI and ML ecosystem for true state-of-the-art optimization. This modeling framework has already been applied to several geothermal power plants and has provided reasonably accurate results in all cases. Therefore, we expect that the GOOML framework can be applied to any geothermal power plant around the world.

15 GEOTHERMAL ENERGY↗
DOE OSTI2026

A Smart Vision-Aided RICH (Robotic Interface Control and Handling) System for VULCAN

High-flux neutron beams and high-efficiency detectors enable rapid neutron diffraction measurements at the Engineering Materials Diffractometer (VULCAN) at the Spallation Neutron Source (SNS), Oak Ridge National Laboratory (ORNL). To optimize beam time utilization, efficient sample exchange, alignment, and automated measurements are essential. Recent advances in artificial intelligence (AI) have expanded the capabilities of robotic systems. Here, we report the development of a Robotic Interactive Control and Handling (RICH) system for sample handling at VULCAN, designed to support high-throughput experiments and reduce overhead time. The RICH system employs a six-axis desktop robot integrated with AI-based computer vision models capable of recognizing and localizing samples in real time from instrument and depth-resolving cameras. Vision algorithms combine these detections to align samples with designated measurement positions or place them within complex sample environments such as furnaces. This integration of machine learning-assisted vision with robotic handling demonstrates the feasibility of autonomous sample detection and preparation, offering a pathway toward fully unmanned neutron scattering experiments.

automation↗
DOE OSTI2022

Challenges for Implementing FAIR Digital Objects with High Performance Workflows

New types of workflows are being used in science that couple traditional distributed and high-performance computing (HPC) with data-intensive approaches, and orchestrate ensembles of numerical simulations and artificial intelligence (AI) models. Such workflows may use AI models to supplement computation where numerical simulations may be too computationally expensive, to automate trivial yet time consuming operations, to perform preliminary selections among intractable numbers of combinations in domains as diverse as protein binding, fine-grid climate simulations, and drug discovery.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

MONTE CARLO CROSS SECTION LOOKUP KERNEL FOR THE CEREBRAS WSE-2 IN CSL

This is a small kernel that was used to collect data for an upcoming paper. We would like to have the code be open source so that the reviewers (and then readers) of the paper can see the whole code, and can reproduce/verify our results. This is not a fully featured application, it cannot produce any useful simulation results, it just executes a small abstracted kernel using synthetic data. The purpose of the kernel is to understand the basic performance characteristics of an HPC kernel on novel AI accelerator architectures. The main kernel is written in the CSL coding language for use with the Cerebras WSE-2 AI accelerator. The kernel represented is the Monte Carlo cross section lookup kernel, which is a small kernel used by the Monte Carlo neutral particle transport algorithm. There is also a baseline kernel written in CUDA that we will include in the repository to form a basis for comparing the WSE-2 to GPU.

Tramm, John↗
DOE OSTI2025

Edge ML for CAN bus intrusion detection in AVs

Autonomous Vehicles (AVs) are revolutionizing transportation, but their reliance on interconnected cyber-physical systems exposes them to unprecedented cybersecurity risks. This study addresses the critical challenge of detecting real-time cyber intrusions in self-driving vehicles by leveraging a dataset from the Udacity self-driving car project. We simulate four high-impact attack vectors, Denial of Service (DoS), spoofing, replay, and fuzzy attacks, by injecting noise into spatial features (e.g., bounding box coordinates) to replicate adversarial scenarios. We develop and evaluate two lightweight neural network architectures (NN-1 and NN-2) alongside a logistic regression baseline (LG-1) for intrusion detection. The models achieve exceptional performance, with NN-2 attaining an AUC score of 93.15% and 93.15% accuracy, demonstrating their suitability for edge deployment in AV environments. Through explainable AI techniques, we uncover unique forensic fingerprints of each attack type, such as spatial corruption in fuzzy attacks and temporal anomalies in replay attacks, offering actionable insights for feature engineering and proactive defense. Visual analytics, including confusion matrices, ROC curves, and feature importance plots, validate the models' robustness and interpretability. This research sets a new benchmark for AV cybersecurity, delivering a scalable, field-ready toolkit for Original Equipment Manufacturers (OEMs) and policymakers. By aligning intrusion fingerprints with SAE J3061 automotive security standards, we provide a pathway for integrating machine learning into safety-critical AV systems. Our findings underscore the urgent need for security-by-design AI, ensuring that AVs not only drive autonomously but also defend autonomously. This work bridges the gap between theoretical cybersecurity and life-preserving engineering, offering a leap toward safer, more secure autonomous transportation.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1982

A generalized method for determining radiation patterns of aperture antennas and its application to reflector antennas

The reflector antenna may be thought of as an aperture antenna. The classical solution for the radiation pattern of such an antenna is found by the aperture integration (AI) method. Success with this method depends on how accurately the aperture currents are known beforehand. In the past, geometrical optics (GO) has been employed to find the aperture currents. This approximation is suitable for calculating the main beam and possibly the first few sidelobes. A better approximation is to use aperture currents calculated from the geometrical theory of diffraction (GTD). Integration of the GTD currents over and extended aperture yields more accurate results for the radiation pattern. This approach is useful when conventional AI and GTD solutions have no common region of validity. This problem arises in reflector antennas. Two dimensional models of parabolic reflectors are studied; however, the techniques discussed can be applied to any aperture antenna.

Paknys, J. R.↗
NASA NTRS1982

JPL airborne instruments activities

Two instruments intended for flight aboard aircraft for research in advanced remote sensing of the earth are under development: the airborne imaging spectrometer (AIS) and the airborne visible-infrared imaging spectrometer (AVIRIS). The AIS utilizes a 32 x 32 element HgCdTe CCD array to gather 10nm spectral data, initially in the 1.2 to 2.4 micron range, with 32 pixels of cross-track spatial data. The instrument acquires 128 channels of spectral data by using a grating spectrometer whose grating is stepped through four positions during a fraction of an IFOV time on the ground. With an IFOV of 2 mrad, the GIFOV at the design altitude of 3 km is 6m. The instrument has several on-board processing capabilities including ax+b corrections for detector calibration, cross-track and down-track pixel summing, spectral band summing, and variable integration time to allow flight at various altitudes and velocities. The AVIRIS uses a proven scanning mechanism to acquire the spatial data in a whisk broom mode. The spectral coverage is from 0.35 to 2.5 microns at bandwidths ranging from 10 to 20 nm.

Vane, G.↗
NASA NTRS1983

An overview of artificial intelligence and robotics. Volume 1: Artificial intelligence. Part B: Applications

Artificial Intelligence (AI) is an emerging technology that has recently attracted considerable attention. Many applications are now under development. This report, Part B of a three part report on AI, presents overviews of the key application areas: Expert Systems, Computer Vision, Natural Language Processing, Speech Interfaces, and Problem Solving and Planning. The basic approaches to such systems, the state-of-the-art, existing systems and future trends and expectations are covered.

Gevarter, W. B.↗