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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Dynamical observer for a flexible beam via finite element approximations

The purpose of this view-graph presentation is a computational investigation of the closed-loop output feedback control of a Euler-Bernoulli beam based on finite element approximation. The observer is part of the classical observer plus state feedback control, but it is finite-dimensional. In the theoretical work on the subject it is assumed (and sometimes proved) that increasing the number of finite elements will improve accuracy of the control. In applications, this may be difficult to achieve because of numerical problems. The main difficulty in computing the observer and simulating its work is the presence of high frequency eigenvalues in the finite-element model and poor numerical conditioning of some of the system matrices (e.g. poor observability properties) when the dimension of the approximating system increases. This work dealt with some of these difficulties.

Manitius, Andre↗
DOE OSTI2026

SENTRA: A Modular Computational Graph Framework for Critical Mineral and Materials Supply Chains: Part I: Network Construction Latent-Quantity Estimation, and Temporal Graph Forecasting

Global supply chains for critical minerals and materials are complex, evolving networks of countries, products, production stages, and trade relationships. Existing analytical approaches are limited by fragmented data and static network representations that do not capture the dynamic production dependencies linking raw materials, intermediate products, and final goods across multiple countries. Trade and production statistics provide only a partial view of domestic production, inventories, and material flows, making it difficult to identify indirect sourcing pathways, hidden dependencies, and embedded foreign exposures. This paper introduces the Supply Chain Exposure Network Tracking and Risk Assessment (SENTRA) framework, a modular graph-based computational framework for constructing, analyzing, and forecasting dynamic supply chain networks. As the first paper in a three-part methodological series, it establishes the computational foundation of SENTRA by constructing a temporal attributed multi-relational graph whose nodes represent product–country pairs and whose edges encode observed trade and within-country value-chain relationships. Statistical estimation and constrained optimization recover latent production, final demand, and product input dependency coefficients while enforcing economic accounting constraints. Graph-derived exposure measures quantify direct, transshipment, value-chain, and multi-hop supply chain dependencies independently of the forecasting model. A temporal graph forecasting architecture based on a relational graph neural network then forecasts the evolution of the graph under mass-balance constraints with distribution-free conformal uncertainty quantification. Validation on the global aluminum supply chain shows that the learned graph representations recover economically meaningful supply chain structure, accurately forecast out-of-sample trade relationships, and produce well-calibrated prediction intervals. Subsequent papers apply this computational foundation to exposure assessment, disruption analysis, and scenario-based policy analysis, and extend the framework to multimaterial supply chain modeling and decision support.

36 MATERIALS SCIENCE↗
NASA NTRS1991

A nonrecursive 'Order N' preconditioned conjugate gradient/range space formulation of MDOF dynamics

This paper addresses the requirements of present-day mechanical system simulations of algorithms that induce parallelism on a fine scale and of transient simulation methods which must be automatically load balancing for a wide collection of system topologies and hardware configurations. To this end, a combination range space/preconditioned conjugage gradient formulation of multidegree-of-freedon dynamics is developed, which, by employing regular ordering of the system connectivity graph, makes it possible to derive an extremely efficient preconditioner from the range space metric (as opposed to the system coefficient matrix). Because of the effectiveness of the preconditioner, the method can achieve performance rates that depend linearly on the number of substructures. The method, termed 'Order N' does not require the assembly of system mass or stiffness matrices, and is therefore amenable to implementation on work stations. Using this method, a 13-substructure model of the Space Station was constructed.

Kurdila, A. J.↗
DOE OSTI2025

Model-based Hierarchical Reinforcement Learning for Improved Physical Security Design: A Prototype

Prior work in FY24 developed an adversarial AI agent aid in path analysis of physical protection systems. This agent, trained using a model-based reinforcement learning algorithm, was able to successfully learn the most vulnerable path in facilities. It was able to extend the current state of practice for physical protection design by exhibiting dynamic behavior based on current environmental conditions. Whereas PathTrace largely performs a static, graph-based analysis, the AI agent was able to make decisions based on relative position in the facility, current conditions (was the adversarial agnet discovered?), and proximity to secondary targets. The agent demonstrated some novel capabilities, but had limitations that need to be resolved before it can be used for production purposes. For example, the adversarial agent generalizes poorly and takes a relatively long time to train. Nonetheless, there is still considerable promise for developing the adversarial agent further in order to explore even richer, more dynamic behaviors (e.g., adversary motivations, environmental debris, and more). This work considers a complementary idea; development of a planning agent. The planning agent is envisioned as an auto-complete-like tool that can help accelerate security system design by human experts. The agent would respect existing barriers and sensors placed by a human expert while offering cost-effective suggestions (i.e., implicitly balancing effectiveness with cost) to improve the design. The goal is for this agent to be part of an expert’s toolbox, not to totally upend the current state-of-practice, or to displace human experts. The ultimate goal would be concurrent training of both the adversarial and planning agent together, to learn entirely through self-play. This would represent an entirely new way of performing system deign. We selected a hierarchical, model-based reinforcement learning algorithm to serve as the planning agent. This is an extension of concepts used in the prior FY24 adversarial agent work. There, we had a single agent acting an environment. Here, we have two different sub-agents (policies), working together, to form a complete agent. There is a manager policy, which can select abstract goals on slower time scales, and a worker, which performs primitive actions to reach goals selected by the manager. It is worth noting that this class of algorithm is challenging to work with. From our understanding, our work is one of the first successful uses of model-based reinforcement learning (MBRL) in nuclear energy1 , and likely the first hierarchical model-based reinforcement learning application in nuclear energy. Further, this work is one of the first known attempts to apply AI to perform a design tasks in nuclear energy. Consequently, there were significant implementation challenges and the bulk of the work was focused on successful implementation and algorithm design. The results presented here are very low technology readiness level as a consequence of the lack of related literature, but still represent a significant step forward in the pursuit of applied AI for design.

42 ENGINEERING↗
DOE OSTI2024

Retrieval Augmented Generation for Robust Cyber Defense

In cybersecurity, the ability to efficiently analyze and respond to vulnerabilities, weaknesses, attack patterns, and threat tactics is critical for effective defense strategies. With the increasing complexity and volume of cybersecurity data, traditional methods of querying and retrieving information are often inadequate. To address this challenge, we implemented Retrieval-Augmented Generation (RAG) systems—CyRAG and GraphCyRAG—that integrate large language models (LLMs) with both structured data from relational databases and knowledge graphs such as Neo4j. CyRAG is designed to handle structured data, focusing on CVE (Common Vulnerabilities and Exposures) and CWE (Common Weakness Enumeration) entities to generate accurate and context-rich responses. In contrast, GraphCyRAG leverages Neo4j knowledge graphs to retrieve interconnected information from CVE, CWE, CAPEC (Common Attack Pattern Enumeration and Classification), and ATT&CK (Adversarial Tactics, Techniques, and Common Knowledge) datasets. By utilizing Neo4j’s graph-based framework, GraphCyRAG enables deeper traversal of relationships between vulnerabilities and attack patterns, providing cybersecurity analysts with more comprehensive insights into potential attack vectors and mitigation strategies. Our preliminary results demonstrate that integrating knowledge graphs with RAG significantly enhances both the accuracy and depth of threat analysis, allowing for the retrieval of dynamic, real-time data and the generation of contextually aware responses. This approach helps analysts uncover hidden relationships between cyber entities, predict exploit paths, and prioritize mitigation efforts effectively. The integration of RAG with cybersecurity knowledge graphs represents a significant advancement in cybersecurity threat intelligence, enabling more informed decision-making and stronger defense strategies.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1985

RR Lyrae stars and the distant Galactic halo - Distribution, chemical composition, kinematics, and dynamics

Published observational data on 29 outer-Galactic-halo RR Lyr stars (Saha, 1984, and Saha and Oke, 1984) and from other surveys are analyzed to characterize the mass distribution, chemical composition, kinematics, and dynamics of the outer Galaxy (up to galactocentric radius R = 40 kpc). The results are presented in graphs and tables and discussed. Findings reported include a rapid fall-off of RR Lyr density at R = 25 kpc, Fe/H varying from -1.0 to -2.2 (with two stars at -0.5), no net Fe/H gradient in the far halo, and Galactic mass (from dynamical computations) about 3 x 10 to the 11th solar mass within R = 25 kpc.

Saha, A.↗
DOE OSTI2026

Intelligent Experiments through Real-Time AI: Fast Data Processing and Autonomous Detector Control for High-Energy Nuclear Experiments

The aim of this project is to develop software and hardware for fast real-time data processing and autonomous detector control and calibration for the sPHENIX and the future EIC experiments. Below summarizes Georgia Tech team efforts in the past year: 1. We developed a real-time clustering algorithm and FPGA-based pipeline architecture for processing fired pixel data from ALPIDE sensors in sPHENIX experiments. Our Columnar Clustering Co-Design introduces a hardware-aware, stream-friendly approach that segments pixel data by column pairs using a Column Pair Clustering (CPC) strategy, followed by Cluster Stitching to merge adjacent subclusters. Implemented in Vitis HLS, the pipeline comprises five stages—read-in, subclustering, stitching, analysis, and write-out—connected by tagged HLS streams with custom end-of-event signaling for robust synchronization. We designed a pipelined dataflow model optimized for throughput, low latency, and minimal buffering, enabling scalable clustering across events of arbitrary size. Our system maintains spatial precision via center-of-mass and shape key extraction and efficiently handles edge cases such as fragmented or nested clusters. Compared against DBSCAN in both software and hardware, our approach demonstrates competitive performance under FPGA constraints. 2. We also conducted a comprehensive algorithm-to-hardware co-design of connected component analysis tailored for sPHENIX experiments, focusing on real-time, low-latency processing using FPGAs and High-Level Synthesis (HLS). Starting from a Python-based particle tracking pipeline, the team translated the core logic—graph traversal via DFS and Union-Find—into an HLS-compatible C++ model, replacing dynamic memory and recursion with static arrays and pipelined control flow. The final design includes a fully streamed and dataflow-compatible Union-Find kernel optimized across five iterations, incorporating loop pipelining, array partitioning, AXI/FIFO interface tuning, and function flattening. Experimental results show up to 14.8× speedup over the CPU baseline, reducing per-graph latency to 1.58 μs and demonstrating strong resource efficiency with only ~7k LUTs and zero BRAM usage. The design maintains functional correctness against the Python reference using a Python-based C-simulation framework and Mean Squared Error metrics. This work validates the potential of HLS-driven FPGA designs for edge-level HEP data acquisition, laying a scalable foundation for future integration with real-time detector pipelines and multi-graph processing systems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1990

Discretization chaos - Feedback control and transition to chaos

Problems in the design of feedback controllers for chaotic dynamical systems are considered theoretically, focusing on two cases where chaos arises only when a nonchaotic continuous-time system is discretized into a simpler discrete-time systems (exponential discretization and pseudo-Euler integration applied to Lotka-Volterra competition and prey-predator systems). Numerical simulation results are presented in extensive graphs and discussed in detail. It is concluded that care must be taken in applying standard dynamical-systems methods to control systems that may be discontinuous or nondifferentiable.

Grantham, Walter J.↗
DOE OSTI2024

MDLoader: A Hybrid Model-Driven Data Loader for Distributed Graph Neural Network Training

Scalable data management is essential for processing large scientific dataset on HPC platforms for distributed deep learning. In-memory distributed storage is preferred for its speed, enabling rapid, random, and frequent data access required by stochastic optimizers. Processes use one-sided or collective communication to fetch remote data, with optimal performance depending on (i) dataset characteristics, (ii) training scale, and (iii) interconnection network. Empirical analysis shows collective communication excels with larger mini-batch sizes and/or fewer processes, whereas one-sided communication outperforms at larger scales. We propose MDLoader, a hybrid in-memory data loader for distributed graph neural network training. MDLoader features a model-driven performance estimator that dynamically selects between one-sided and collective communication at the beginning of training using Tree of Parzen Estimators (TPE). Evaluations on NERSC Perlmutter and OLCF Summit show MDLoader outperforms single-backend loaders by up to 2.83 × and predicts the suitable communication method with 96.3% (Perlmutter) and 94.3% (Summit) success rate.

Bae, Jonghyun↗
NASA NTRS1981

Detailed study on acceleration and propagation of energetic protons and electrons in the magnetotail during substorm activity

High time resolution measurements of energetic particles and magnetic field measurements by the IMP 8 satellite in the distant magnetotail are presented for November 26, 1973, when exceptionally intense particle bursts were detected by both the IMP 7 and 8 spacecraft. During the onset of the most intense burst as well as at other times, oppositely directed anisotropies of protons and electrons parallel to the tail field and lasting up to about 60 sec were observed, implying the presence of field-aligned electric fields. The particle and field observations are discussed in the context of proposed mechanisms for the acceleration of particles during various dynamical magnetospheric processes. Satellite instrument readings are presented through the extensive use of graphs.

Kirsch, E.↗
NASA NTRS1992

Advanced ballistic range technology

Experimental interferograms, schlieren, and shadow-graphs are routinely used for validating ideal- and real-gas computational fluid dynamics (CFD) codes. Interferograms are used for quantitative comparisons of integrated density. Schlieren and shadowgraphs are used for comparing the locations of flow field features; the types of flowfield features recorded in these images include shocks, shear layers, and expansion fans. By constructing images from flow field simulations, one-to-one comparisons of computation and experiment are possible. During the period from 1 May 1991 to 31 Jan. 1992, the emphasis of this research was on developing techniques for constructing these images from flow field simulations.

Yates, Leslie A.↗
NASA NTRS2006

International Space Station Centrifuge Rotor Models A Comparison of the Euler-Lagrange and the Bond Graph Modeling Approach

The assembly and operation of the International Space Station (ISS) require extensive testing and engineering analysis to verify that the Space Station system of systems would work together without any adverse interactions. Since the dynamic behavior of an entire Space Station cannot be tested on earth, math models of the Space Station structures and mechanical systems have to be built and integrated in computer simulations and analysis tools to analyze and predict what will happen in space. The ISS Centrifuge Rotor (CR) is one of many mechanical systems that need to be modeled and analyzed to verify the ISS integrated system performance on-orbit. This study investigates using Bond Graph modeling techniques as quick and simplified ways to generate models of the ISS Centrifuge Rotor. This paper outlines the steps used to generate simple and more complex models of the CR using Bond Graph Computer Aided Modeling Program with Graphical Input (CAMP-G). Comparisons of the Bond Graph CR models with those derived from Euler-Lagrange equations in MATLAB and those developed using multibody dynamic simulation at the National Aeronautics and Space Administration (NASA) Johnson Space Center (JSC) are presented to demonstrate the usefulness of the Bond Graph modeling approach for aeronautics and space applications.

Nguyen, Louis H.↗
NASA NTRS2010

Data-Flow Based Model Analysis

The concept of (meta) modeling combines an intuitive way of formalizing the structure of an application domain with a high expressiveness that makes it suitable for a wide variety of use cases and has therefore become an integral part of many areas in computer science. While the definition of modeling languages through the use of meta models, e.g. in Unified Modeling Language (UML), is a well-understood process, their validation and the extraction of behavioral information is still a challenge. In this paper we present a novel approach for dynamic model analysis along with several fields of application. Examining the propagation of information along the edges and nodes of the model graph allows to extend and simplify the definition of semantic constraints in comparison to the capabilities offered by e.g. the Object Constraint Language. Performing a flow-based analysis also enables the simulation of dynamic behavior, thus providing an "abstract interpretation"-like analysis method for the modeling domain.

Saad, Christian↗
DOE OSTI2024

Graph characterization of higher-order structure in atmospheric chemical reaction mechanisms

Atmospheric chemical reactions play an important role in air quality and climate change. While the structure and dynamics of individual chemical reactions are fairly well understood, the emergent properties of the entire atmospheric chemical system, which can involve many different species that participate in many different reactions, are not well described. In this work, we leverage graph-theoretic techniques to characterize patterns of interaction (“motifs”) in three different representations of gas-phase atmospheric chemistry, termed “chemical mechanisms.” These widely used mechanisms, the master chemical mechanism, the GEOS-Chem mechanism, and the Super-Fast mechanism, vary dramatically in scale and application, but they all generally aim to simulate the abundance and variability of chemical species in the atmosphere. This motif analysis quantifies the fundamental patterns of interaction within the mechanisms, which are directly related to their construction. For example, the gas-phase chemistry in the very small Super-Fast mechanism is entirely composed of bimolecular reactions, and its motif distribution matches that of an individual bimolecular reaction well. The larger and more complex mechanisms show emergent motif distributions that differ strongly from any specific reaction type, consistent with their complexity. The proposed motif analysis demonstrates that while these mechanisms all have a similar design goal, their higher-order structure of interactions differs strongly and thus provides a novel set of tools for exploring differences across chemical mechanisms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Realizing string-net condensation: Fibonacci anyon braiding for universal gates and sampling chromatic polynomials

Abstract The remarkable complexity of a topologically ordered many-body quantum system is encoded in the characteristics of its anyons. Quintessential predictions emanating from this complexity employ the Fibonacci string net condensate (Fib SNC) and its anyons: sampling Fib-SNC would estimate chromatic polynomials while exchanging its anyons would implement universal quantum computation. However, physical realizations remained elusive. We introduce a scalable dynamical string net preparation (DSNP) that constructs Fib SNC and its anyons on reconfigurable graphs suitable for near-term superconducting processors. Coupling the DSNP approach with composite error-mitigation on deep circuits, we create, measure, and braids Fibonacci anyons; charge measurements show 94% accuracy, and exchanging the anyons yields the expected golden ratioϕwith 98% average accuracy. We then sample the Fib SNC to estimate chromatic polynomial atϕ + 2 for several graphs. Our results establish the proof of principle for using Fib-SNC and its anyons for fault-tolerant universal quantum computation and aim at a classically hard problem.

Science & Technology - Other Topics↗