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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 1,423 records · Page 79
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

From Chaos to Clarity: Autonomous Materials Discovery for Extreme Environments

The pursuit of advanced functional materials for energy applications demands an understanding of their behavior under the most challenging conditions. Extreme environments, characterized by intense radiation, high temperatures, and corrosive chemistries, push materials to their limits, often revealing unexpected behaviors and degradation pathways. Traditional materials research approaches, relying on trial-and-error experimentation, are often slow and resource-intensive, ill-suited to the complexities of extreme environments. This talk will explore the transformative potential of autonomous materials science in revolutionizing our understanding of materials synthesis and degradation in extreme environments. By integrating advanced microscopy techniques, artificial intelligence, and robotic experimentation, we can accelerate the discovery and design of resilient materials for a sustainable future. The presentation will highlight recent breakthroughs in autonomous microscopy, computer vision, and machine learning, showcasing their ability to unravel complex material transformations at the atomic scale. The talk will also delve into the challenges and opportunities associated with deploying autonomous systems to probe extreme environments, emphasizing the importance of robust algorithms, real-time data analysis, and adaptive experimentation. Our ultimate goal is to empower scientists with unprecedented capabilities to explore, understand, and engineer materials that can withstand the harshest conditions, paving the way for innovations in energy, aerospace, and beyond.

artificial intelligence↗
DOE OSTI2025

Lightweight Metal Stamping Optimization Enabled by Artificial Intelligence

Successfully manufacturing an automotive body structure made via the sheet metal stamping process depends upon simultaneous consideration of component design, tooling design, stamping process control, and material properties. In many cases, introducing lightweight sheet materials (e.g., aluminum alloys, magnesium alloys, advanced high strength steels) holds the potential to significantly reduce vehicle weight, but challenges the stamping process by introducing materials with inherently less ductility. Successful and repeatable applications require co-developing the stamping process controls with the varying material properties, including formability. During the stamping process, as soon as the forming limit of the sheet is exceeded, the material shows localized necking which quickly leads to splits. Controlling process variability to avoid these material splits will enable deployment of less formable, lighter, and stronger materials for stamped automotive components. A typical optimization procedure for manufacturing requires an iterative process involving parameter setting, execution of computational simulations, and modifying the parameters. The entire process demands substantial computational time, making it impractical for real-time feedback towards rapid corrective actions required for in-line control for running production processes. To overcome this challenge, artificial intelligence (AI) can be leveraged to determine optimal manufacturing parameters within a single manufacturing cycle time. This research proposes an in-line optimization framework incorporating a trained AI model to predict kidney-shaped die forming. Preliminary results indicate that the AI framework can accurately predict draw-in values based on a given parameter set, a process referred to as forward prediction. Furthermore, the AI framework can also predict the optimal parameter set that leads to the desired draw-in values, referred to as inverse optimization (or backward prediction). This research has been performed in collaborations with USCAR (US Council for Automotive Research) and AutoForm. The members of USCAR are Ford, GM, and Stellantis.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Hybrid Quantum–Classical Graph Transformers for Efficient Sentiment Analysis

Quantum Machine Learning (QML) offers a promising paradigm that leverages quantum computing principles to develop efficient and expressive models for learning from complex and structured data. Recent advances in natural language processing (NLP) and artificial intelligence (AI) have demonstrated capabilities in understanding, generating, and reasoning over linguistic and multimodal information. In this work, we present the Quantum Graph Transformer (QGT), a hybrid quantum–classical architecture that extends graph transformer capabilities through quantum self-attention. The QGT models variable-length sentences as token graphs, where both the embedding encoding and the self-attention mechanisms are implemented using parameterized quantum circuits (PQCs), enabling efficient contextual learning with significantly fewer trainable parameters. We train QGT using both fully connected and 𝑘 -nearest-neighbor graph structures and evaluate it on five benchmark sentiment-classification datasets. Experimental results show that QGT consistently achieves higher or comparable accuracy to existing quantum NLP models and outperforms a Classical Graph Transformer (CGT) baseline with identical architecture, achieving 29.4 × fewer parameters while requiring 3–5 × fewer samples to reach comparable performance. These findings highlight the potential of graph-based quantum models as scalable and data-efficient architectures for natural language understanding.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1997

Of red planets and indigo computers: Mars database visualization as an example of platform downsizing

The last decade has witnessed tremendous advancements in the computer hardware and software used to perform scientific visualization. In this paper, we consider how the visualization of a particular data set, the digital terrain model derived from the Viking orbiter imagery, has been realized in four distinct projects over this period. These examples serve to demonstrate how the vast improvements in computational performance both decrease the cost of such visualization efforts and permit an increasing level of interactivity. We then consider how even today's graphical systems require the visualization designer to make intelligent choices and tradeoffs in database rendering. Finally, we discuss how insights gleaned from an understanding of human visual perception can guide these design decisions, and suggest new options for visualization hardware and software.

NASA Center ARC↗
NASA NTRS1989

A survey on the structured singular value

The structured singular value, U, is an important linear algebra tool to study a class of matrix perturbation problems. It is useful for analyzing the robustness of stability and performance of uncertain, (nominally) linear systems. Computation of (M) is difficult, and usually, upper and lower bounds are all that can be reliably computed. Upper bounds give conservative estimates of the sizes of allowable perturbations. The maximum singular value of a matrix M is an upper bound for (M). As an upper bound, it can be improved by finding a transformations to the data (i.e. M) which do not change the structured singular value, but do reduce the maximum singular value. Typically, upper bound algorithms involve searches over sets of transformations to yield the tightest bound. Lower bound algorithms are intelligent searches for minimum-norm solutions to multivariable polynomial equations, and are based on various optimality conditions that hold at the global (and, unfortunately, some local) minima. The current methods to compute both of these types of bounds are reviewed. Theoretical justification and extensive numerical experience with the various algorithms are covered.

Packard, Andy↗
DOE OSTI2024

An artificial intelligence accelerated virtual screening platform for drug discovery

Abstract Structure-based virtual screening is a key tool in early drug discovery, with growing interest in the screening of multi-billion chemical compound libraries. However, the success of virtual screening crucially depends on the accuracy of the binding pose and binding affinity predicted by computational docking. Here we develop a highly accurate structure-based virtual screen method, RosettaVS, for predicting docking poses and binding affinities. Our approach outperforms other state-of-the-art methods on a wide range of benchmarks, partially due to our ability to model receptor flexibility. We incorporate this into a new open-source artificial intelligence accelerated virtual screening platform for drug discovery. Using this platform, we screen multi-billion compound libraries against two unrelated targets, a ubiquitin ligase target KLHDC2 and the human voltage-gated sodium channel Na V 1.7. For both targets, we discover hit compounds, including seven hits (14% hit rate) to KLHDC2 and four hits (44% hit rate) to Na V 1.7, all with single digit micromolar binding affinities. Screening in both cases is completed in less than seven days. Finally, a high resolution X-ray crystallographic structure validates the predicted docking pose for the KLHDC2 ligand complex, demonstrating the effectiveness of our method in lead discovery.

Science & Technology - Other Topics↗
DOE OSTI2024

Applying queueing theory to evaluate wait-time-savings of triage algorithms

Abstract In the past decade, artificial intelligence (AI) algorithms have made promising impacts in many areas of healthcare. One application is AI-enabled prioritization software known as computer-aided triage and notification (CADt). This type of software as a medical device is intended to prioritize reviews of radiological images with time-sensitive findings, thus shortening the waiting time for patients with these findings. While many CADt devices have been deployed into clinical workflows and have been shown to improve patient treatment and clinical outcomes, quantitative methods to evaluate the wait-time-savings from their deployment are not yet available. In this paper, we apply queueing theory methods to evaluate the wait-time-savings of a CADt by calculating the average waiting time per patient image without and with a CADt device being deployed. We study two workflow models with one or multiple radiologists (servers) for a range of AI diagnostic performances, radiologist’s reading rates, and patient image (customer) arrival rates. To evaluate the time-saving performance of a CADt, we use the difference in the mean waiting time between the diseased patient images in the with-CADt scenario and that in the without-CADt scenario as our performance metric. As part of this effort, we have developed and also share a software tool to simulate the radiology workflow around medical image interpretation, to verify theoretical results, and to provide confidence intervals for the performance metric we defined. We show quantitatively that a CADt triage device is more effective in a busy, short-staffed reading setting, which is consistent with our clinical intuition and simulation results. Although this work is motivated by the need for evaluating CADt devices, the evaluation methodology presented in this paper can be applied to assess the time-saving performance of other types of algorithms that prioritize a subset of customers based on binary outputs.

Thompson, Yee Lam Elim (ORCID:0000000196537707)↗
NASA NTRS1981

Management and development of local area network upgrade prototype

Given the situation of having management and development users accessing a central computing facility and given the fact that these same users have the need for local computation and storage, the utilization of a commercially available networking system such as CP/NET from Digital Research provides the building blocks for communicating intelligent microsystems to file and print services. The major problems to be overcome in the implementation of such a network are the dearth of intelligent communication front-ends for the microcomputers and the lack of a rich set of management and software development tools.

Fouser, T. J.↗
NASA NTRS1987

An efficient representation of spatial information for expert reasoning in robotic vehicles

The previous generation of robotic vehicles and drones was designed for a specific task, with limited flexibility in executing their mission. This limited flexibility arises because the robotic vehicles do not possess the intelligence and knowledge upon which to make significant tactical decisions. Current development of robotic vehicles is toward increased intelligence and capabilities, adapting to a changing environment and altering mission objectives. The latest techniques in artificial intelligence (AI) are being employed to increase the robotic vehicle's intelligent decision-making capabilities. This document describes the design of the SARA spatial database tool, which is composed of request parser, reasoning, computations, and database modules that collectively manage and derive information useful for robotic vehicles.

Scott, Steven↗
NASA NTRS1990

Space communications scheduler: A rule-based approach to adaptive deadline scheduling

Job scheduling is a deceptively complex subfield of computer science. The highly combinatorial nature of the problem, which is NP-complete in nearly all cases, requires a scheduling program to intelligently transverse an immense search tree to create the best possible schedule in a minimal amount of time. In addition, the program must continually make adjustments to the initial schedule when faced with last-minute user requests, cancellations, unexpected device failures, quests, cancellations, unexpected device failures, etc. A good scheduler must be quick, flexible, and efficient, even at the expense of generating slightly less-than-optimal schedules. The Space Communication Scheduler (SCS) is an intelligent rule-based scheduling system. SCS is an adaptive deadline scheduler which allocates modular communications resources to meet an ordered set of user-specified job requests on board the NASA Space Station. SCS uses pattern matching techniques to detect potential conflicts through algorithmic and heuristic means. As a result, the system generates and maintains high density schedules without relying heavily on backtracking or blind search techniques. SCS is suitable for many common real-world applications.

Straguzzi, Nicholas↗
NASA NTRS1991

The use of artificial neural networks in experimental data acquisition and aerodynamic design

It is proposed that an artificial neural network be used to construct an intelligent data acquisition system. The artificial neural networks (ANN) model has a potential for replacing traditional procedures as well as for use in computational fluid dynamics validation. Potential advantages of the ANN model are listed. As a proof of concept, the author modeled a NACA 0012 airfoil at specific conditions, using the neural network simulator NETS, developed by James Baffes of the NASA Johnson Space Center. The neural network predictions were compared to the actual data. It is concluded that artificial neural networks can provide an elegant and valuable class of mathematical tools for data analysis.

Meade, Andrew J., Jr.↗
NASA NTRS1993

The universal robot

Our artifacts are getting smarter, and a loose parallel with the evolution of animal intelligence suggests one future course for them. Computerless industrial machinery exhibits the behavioral flexibility of single-celled organisms. Today's best computer-controlled robots are like the simpler invertebrates. A thousand-fold increase in computer power in the next decade should make possible machines with reptile-like sensory and motor competence. Properly configured, such robots could do in the physical world what personal computers now do in the world of data - act on our behalf as literal-minded slaves. Growing computer power over the next half-century will allow this reptile stage to be surpassed, in stages producing robots that learn like mammals, model their world like primates, and eventually reason like humans. Depending on your point of view, humanity will then have produced a worthy successor, or transcended some of its inherited limitations and so transformed itself into something quite new.

Moravec, Hans↗
NASA NTRS1997

Introduction and Highlights of the Workshop

Four generations of CAD/CAM systems can be identified, corresponding to changes in both modeling functionality and software architecture. The systems evolved from 2D and wireframes to solid modeling, to parametric/variational modelers to the current simulation-embedded systems. Recent developments have enabled design engineers to perform many of the complex analysis tasks, typically performed by analysis experts. Some of the characteristics of the current and emerging CAD/CAM/CAE systems are described in subsequent presentations. The focus of the workshop is on the potential of CAD/CAM/CAE systems for use in simulating the entire mission and life-cycle of future aerospace systems, and the needed development to realize this potential. First, the major features of the emerging computing, communication and networking environment are outlined; second, the characteristics and design drivers of future aerospace systems are identified; third, the concept of intelligent synthesis environment being planned by NASA, the UVA ACT Center and JPL is presented; and fourth, the objectives and format of the workshop are outlined.

Noor, Ahmed K.↗
DOE OSTI2024

Safe Operations at Roadway Junctions: Intelligent Roadway Infrastructure as Functional Interlocking

Automated vehicle (AV) technology is quickly maturing, and the corresponding infrastructure systems that evaluate traffic and communicate to vehicles requires sophisticated sensing and perception technologies, referred to as intelligent roadway infrastructure (IRI), to complement emerging AV capabilities. IRI provides signals to vehicles, indicating right-of-way for vehicles and communicating to approaching AVs that no other vehicle is failing to yield. This capability, denoted as safety-affirmative signaling, provides a green light or a green arrow as appropriate and affirms through communication links to connected vehicles when it is safe to proceed. About 36% of collisions occur at intersections, with most occurring upon left turns (22.2%) or crossing over (12.6%), and only a small percentage (1.2%) while turning right at an intersection. Of all intersection crashes about half (52.5%) of those vehicles were traveling through a signalized intersection 2. Safety-affirmative signaling would guarantee safety of AV fleet vehicles, by providing the interlocking principle, a term from automated train control that only allows progression through a railway intersection after affirming no opportunity for a crash exists. IRI through safety-affirmative signaling would bring performance and safety to complex roadway intersections where AV transit fleet service is most needed, as well as safety benefits to traditional, non-automated vehicles and vulnerable road users. The implementation of IRI has functional, programmatic, and technical challenges. Research work performed at the National Renewable Energy Laboratory (NREL) in an integrative approach encapsulating these themes, and termed infrastructure perception and control (IPC) is motivated by improved performance (travel time), improved safety (reduced collisions), and improved energy efficiency (less fuel burned and minimized production of greenhouse gases). IPC is intended not only for roadway and intersection applications but also in extension to inform complementary buildings and grid systems to enable better co-management, as vehicles and their charging needs become increasingly integrated into the built environment. The NREL IPC project presents an open-source framework, architecture, and supporting technology to implement IRI, addressing critical issues such as fusion of data, reliability, standardization of data interfaces, and confidence of detection. The framework is informed by previous experience in U.S. Department of Defense research technology, specifically in the use of radar to detect, identify, and track aerial threats. These principles combined with multi-sensor fusion provides for a complete digital twin with known and measurable confidence and accuracy from which safety-affirmative signaling can be developed and deployed.

ADVANCED PROPULSION SYSTEMS,MATHEMATICS AND COMPUT↗
DOE OSTI2022

A primer on artificial intelligence in plant digital phenomics: embarking on the data to insights journey

Artificial intelligence (AI) has emerged as a fundamental component of global agricultural research that is poised to impact on many aspects of plant science. In digital phenomics, AI is capable of learning intricate structure and patterns in large datasets. We provide a perspective and primer on AI applications to phenome research. We propose a novel human-centric explainable AI (X-AI) system architecture consisting of data architecture, technology infrastructure, and AI architecture design. We clarify the difference between post hoc models and 'interpretable by design' models. We include guidance for effectively using an interpretable by design model in phenomic analysis. We also provide directions to sources of tools and resources for making data analytics increasingly accessible. In conclusion, this primer is accompanied by an interactive online tutorial.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Early detection and uncertainty quantification of rapid sea-level rise from Antarctica

Focal Areas: (i) classification and/or anomaly detection methods applied towards identifying critical climate system thresholds; improved emulator design for (ii) reducing computational costs relative to full-physics models and (iii) improved uncertainty quantification workflows. Rationale: The evolution of the Antarctic ice sheet in response to climate change remains the single largest uncertainty in projecting future sea-level rise (SLR), with risk-averse projections for 2100 spanning between zero and a half meter. During the past decade, DOE has made substantial investments in new ice sheet and Earth system models needed to improve both understanding and predictive capability in this area. Yet major challenges remain, including better understanding when and under what circumstances significant increases in SLR from Antarctica may be initiated and better quantifying uncertainties in model-based SLR projections. Here, we discuss the potential for transformative advances in these areas through the application of machine learning and artificial intelligence (ML and AI, respectively).

54 ENVIRONMENTAL SCIENCES↗