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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 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Master integrals for the NNLO virtual corrections to μe scattering in QED: The non-planar graphs

In this study, we evaluate the master integrals for the two-loop non-planar box-diagrams contributing to the elastic scattering of muons and electrons at next-to-next-to-leading order in QED. We adopt the method of differential equations and the Magnus exponential to determine a canonical set of integrals, finally expressed as a Taylor series around four space-time dimensions, with coefficients written as combination of generalized polylogarithms. The electron is treated as massless, while we retain full dependence on the muon mass. The considered integrals are also relevant for crossing-related processes, such as di-muon production at e + e – colliders, as well as for the QCD corrections to top-pair production at hadron colliders. In particular our results, together with the planar master integrals recently computed, represent the complete set of functions needed for the evaluation of the photonic two-loop virtual next-to-next-to-leading order QED corrections to μe → μe and e + e – → μ + μ – .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Orthogonal Polynomials Defined by Self-Similar Measures with Overlaps

Here, we study orthogonal polynomials with respect to self-similar measures, focusing on the class of infinite Bernoulli convolutions, which are defined by iterated function systems with overlaps, especially those defined by the Pisot, Garsia, and Salem numbers. By using an algorithm of Mantica, we obtain graphs of the coefficients of the 3-term recursion relation defining the orthogonal polynomials. We use these graphs to predict whether the singular infinite Bernoulli convolutions belong to the Nevai class. Based on our numerical results, we conjecture that all infinite Bernoulli convolutions with contraction ratios greater than or equal to 1/2 belong to Nevai’s class, regardless of the probability weights assigned to the self-similar measures.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Near-Optimal Distributed Linear-Quadratic Regulator for Networked Systems

This paper studies the trade-off between the degree of decentralization and the performance of a distributed controller in a linear-quadratic control setting. We study a system of interconnected agents over a graph and a distributed controller, called k-distributed control, which lets the agents make control decisions based on the state information within distance k on the underlying graph. This controller can tune its degree of decentralization using the parameter k and thus allows a characterization of the relationship between decentralization and performance. We show that under mild assumptions, including stabilizability, detectability, and a subexponentially growing graph condition, the performance difference between k-distributed control and centralized optimal control becomes exponentially small in k. Finally, this result reveals that distributed control can achieve near-optimal performance with a moderate degree of decentralization, and thus it is an effective controller architecture for large-scale networked systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Quantifying Graph Uncertainty from Communication Data

Graphs are a widely used abstraction for representing a variety of important real-world problems including emulating cyber networks for situational awareness, or studying social networks to understand human interactions or pandemic spread. Communication data is often converted into graphs to help understand social and technical patterns in the underlying communication data. However, prior to this project, little work had been performed analyzing how best to develop graphs from such data. Thus, many critical, national security problems were being performed against graph representations of questionable quality. Herein, we describe our analyses that were precursors to our final statistically grounded technique for creating static graph snapshots from a stream of communication events. The first analyzes the statistical distribution properties of a variety of real-world communication datasets generally fit best by Pareto, log normal, and extreme value distributions. The second derives graph properties that can be estimated given the expected statistical distribution for communication events and the communication interval to be viewed node observability, edge observability, and expected accuracy of node degree. Unfortunately, as that final process is under review for publication, we can't publish it here at this time.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Machine Learning‐Guided Discovery of High‐Entropy Perovskite Oxide Electrocatalysts via Oxygen Vacancy Engineering

Abstract High‐entropy perovskite oxides (HEPOs) have recently emerged as multifunctional catalysts. However, the HEPOs’ structural and compositional complexity hinders the easy and accurate extrapolation of activity indicators, which are essential for establishing structure‐property correlations. Here, OxiGraphX, is introduced as a novel graph neural network (GNN) model designed to capture the complex relationships among structure, composition, and atomic chemical environments for accurate prediction of oxygen vacancy formation energies (OVFEs) in HEPOs. By integrating machine learning (ML), density functional theory (DFT), and experimental validation, this work demonstrates an efficient framework for rapidly and accurately screening HEPO electrocatalysts for oxygen evolution reaction (OER). The OxiGraphX predicts OVFEs with a precision exceeding existing data, enabling the identification of compositions of higher oxygen vacancy content (OVC) and, thus, higher catalytic activity. Furthermore, the model explores latent spaces that translate effectively into experimental domains, bridging computational predictions with real‐world applications. This approach accelerates the discovery of high‐performance HEPO catalysts while providing deeper insights into their catalytic mechanisms.

Chemistry↗
DOE OSTI2023

Lorentz group equivariant autoencoders

Abstract There has been significant work recently in developing machine learning (ML) models in high energy physics (HEP) for tasks such as classification, simulation, and anomaly detection. Often these models are adapted from those designed for datasets in computer vision or natural language processing, which lack inductive biases suited to HEP data, such as equivariance to its inherent symmetries. Such biases have been shown to make models more performant and interpretable, and reduce the amount of training data needed. To that end, we develop the Lorentz group autoencoder (LGAE), an autoencoder model equivariant with respect to the proper, orthochronous Lorentz group $$\textrm{SO}^+(3,1)$$ SO + ( 3 , 1 ) , with a latent space living in the representations of the group. We present our architecture and several experimental results on jets at the LHC and find it outperforms graph and convolutional neural network baseline models on several compression, reconstruction, and anomaly detection metrics. We also demonstrate the advantage of such an equivariant model in analyzing the latent space of the autoencoder, which can improve the explainability of potential anomalies discovered by such ML models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Freedom of the mixer rotation axis improves performance in the quantum approximate optimization algorithm

Variational quantum algorithms such as the quantum approximate optimization algorithm (QAOA) are particularly attractive candidates for implementation on near-term quantum processors. As hardware realities such as error and qubit connectivity will constrain achievable circuit depth in the near future, new ways to achieve high performance at low depth are of great interest. In this work, we present a modification to QAOA that adds additional variational parameters in the form of freedom of the rotation axis in the XY plane of the mixer Hamiltonian. Here, via numerical simulation, we show that this leads to a drastic performance improvement over standard QAOA at finding solutions to the MaxCut problem on graphs of up to seven qubits. Furthermore, we explore the Z-phase error mitigation properties of our modified Ansatz, its performance under a realistic error model for a neutral atom quantum processor, and the class of problems it can solve in a single round.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Sampling-Based Motion Planning Algorithms for Replanning and Spatial Load Balancing

The common theme of this dissertation is sampling-based motion planning with the two key contributions being in the area of replanning and spatial load balancing for robotic systems. Here, we begin by recalling two sampling-based motion planners: the asymptotically optimal rapidly-exploring random tree (RRT*), and the asymptotically optimal probabilistic roadmap (PRM*). We also provide a brief background on collision cones and the Distributed Reactive Collision Avoidance (DRCA) algorithm. The next four chapters detail novel contributions for motion replanning in environments with unexpected static obstacles, for multi-agent collision avoidance, and spatial load balancing. First, we show improved performance of the RRT* when using the proposed Grandparent-Connection (GP) or Focused-Refinement (FR) algorithms. Next, the Goal Tree algorithm for replanning with unexpected static obstacles is detailed and proven to be asymptotically optimal. A multi-agent collision avoidance problem in obstacle environments is approached via the RRT*, leading to the novel Sampling-Based Collision Avoidance (SBCA) algorithm. The SBCA algorithm is proven to guarantee collision free trajectories for all of the agents, even when subject to uncertainties in the knowledge of the other agents’ positions and velocities. Given that a solution exists, we prove that livelocks and deadlock will lead to the cost to the goal being decreased. We introduce a new deconfliction maneuver that decreases the cost-to-come at each step. This new maneuver removes the possibility of livelocks and allows a result to be formed that proves convergence to the goal configurations. Finally, we present a limited range Graph-based Spatial Load Balancing (GSLB) algorithm which fairly divides a non-convex space among multiple agents that are subject to differential constraints and have a limited travel distance. The GSLB is proven to converge to a solution when maximizing the area covered by the agents. The analysis for each of the above mentioned algorithms is confirmed in simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

DeepDataProfiler: A Platform and Methodology for the Analysis and Interpretation of Neural Networks

The DeepDataProfiler is a methodology and framework for providing interpretability to trained neural networks. Its approach is to decompose a network into a weighted graph of neurons and synapses and link the components of the graph to human identifiable concepts. By identifying concepts important to the network and tracking the decision process employed by the network, the network becomes more transparent and less like a black box. Spurious decisions and poor generalization strategies can be identified and a measure of trustworthiness can be established.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1987

Overview of crew member energy expenditure during Shuttle Flight 61-8 EASE/ACCESS task performance

The energy expenditure of the Shuttle Flight 61-B crewmembers during the extravehicular performance of Experimental Assembly of Structures in EVA (EASE) and Assembly Concept of Construction of Space Structures (ACCESS) construction system tasks are reported. These data consist of metabolic rate time profiles correlated with specific EASE and ACCESS tasks and crew comments. Average extravehicular activity metabolic rates are computed and compared with those reported from previous Apollo, Shylab, and Shuttle flights. These data reflect total energy expenditure and not that of individual muscle groups such as hand and forearm. When correlated with specific EVA tasks and subtasks, the metabolic profile data is expected to be useful in planning future EVA protocols. For example, after experiencing high work rates and apparent overheating during some Gemini EVAs, it was found useful to carefully monitor work rates in subsequent flights to assess the adequacy of cooling garments and as an aid to preplanning EVA procedures. This presentation is represented by graphs and charts.

Horrigan, D. J.↗
NASA NTRS2004

Finding Minimum-Power Broadcast Trees for Wireless Networks

Some algorithms have been devised for use in a method of constructing tree graphs that represent connections among the nodes of a wireless communication network. These algorithms provide for determining the viability of any given candidate connection tree and for generating an initial set of viable trees that can be used in any of a variety of search algorithms (e.g., a genetic algorithm) to find a tree that enables the network to broadcast from a source node to all other nodes while consuming the minimum amount of total power. The method yields solutions better than those of a prior algorithm known as the broadcast incremental power algorithm, albeit at a slightly greater computational cost.

Arabshahi, Payman↗
NASA NTRS1985

Performance evaluation of a simulated data-flow computer with low-resolution actors

Basic problems related to the exploitation of parallelism in a program include sequencing of the instructions and communication of the data. It is pointed out that the data-flow approach offers an elegant solution to the sequencing problem, since all data dependencies are automatically handled and only instructions with ready input sets are activated. It is shown that a change in the level of subcomputations (actors) affects communications costs. The concept of variable resolution is discussed, and the testbed environment is examined. Attention is given to the architecture of the processing elements, the communication network, and the simulators. A description of the analytical model is also provided. Simulation and results are discussed, taking into account test programs and allocation, the variation of the number of processing elements, the variation of the resolution in directed acyclic graphs, performance in processing loops, and array handling.

Gaudiot, J. L.↗
DOE OSTI2019

Beyond Hosting Capacity: Using Shortest-Path Methods to Minimize Upgrade Cost Pathways

This paper presents a graph-based forward looking algorithm applied to distribution planning in the context of distributed photovoltaic penetration. We study the target hosting capacity problem where the objective is to find the least-cost sequence of system upgrades to reach a predefined hosting capacity target value. We show that commonly used short-term cost minimization approaches often lead to suboptimal long-term solutions. By comparing our method against such myopic techniques on real distribution systems, we show that our algorithm is able to reduce the overall integration costs by looking at future decisions. Because hosting capacity is hard to compute, this problem requires efficient methods to search the space. We demonstrate that heuristics using domain-specific knowledge can be efficiently used to improve the algorithm performance, such that real distribution systems can be studied.

24 POWER TRANSMISSION AND DISTRIBUTION↗
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↗
NASA NTRS1978

Experimental observations of strong double layers

A computer simulation is applied to the production of strong electric potential double layers (DL) in a triple plasma device. The simulation is intended to represent DL in the low magnetosphere above the auroral zones. The DL are described as standing electrostatic shocks with different energy coefficients in their strong and weak forms. The strong DL was generally found to be unstable, but stability could be imparted if a population of trapped electrons was presented. Stability increased with the length of the system. A schematic for the system is presented, and a phase-space plot of electrons (indicating system stability) is graphed.

Coakley, P.↗
DOE OSTI2018

Beyond Hosting Capacity: Using Shortest Path Methods to Minimize Upgrade Cost Pathways: Preprint

We present in this paper a graph based forwardlooking algorithm applied to distribution planning in the context of distributed PV penetration. We study the target hosting capacity (THC) problem where the objective is to find the cheapest sequence of system upgrades to reach a predefined hosting capacity target value. We show in this paper that commonly used short-term cost minimization approaches lead most of the time to suboptimal solutions. By comparing our method against such myopic techniques on real distribution systems, we show that our algorithm is able to reduce the overall integration costs by looking at future decisions. Because hosting capacity is hard to compute, this problem requires efficient methods to search the space. We demonstrate here that heuristics using domain specific knowledge can be efficiently used to improve the algorithm performance such that real distribution systems can be studied.

14 SOLAR ENERGY↗
DOE OSTI2023

Solving MaxCut with quantum imaginary time evolution

We introduce a method to solve the MaxCut problem efficiently based on quantum imaginary time evolution (QITE). We employ a linear Ansatz for unitary updates and an initial state involving no entanglement, as well as an imaginary-time-dependent Hamiltonian interpolating between a given graph and a subgraph with two edges excised. We apply the method to thousands of randomly selected graphs with up to fifty vertices. We show that our algorithm exhibits a 93% and above performance converging to the maximum solution of the MaxCut problem for all considered graphs. Our results compare favorably with the performance of classical algorithms, such as the greedy and Goemans–Williamson algorithms. We also discuss the overlap of the final state of the QITE algorithm with the ground state as a performance metric, which is a quantum feature not shared by other classical algorithms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Intelligent experiments through real-time AI: Fast Data Processing and Autonomous Detector Control for sPHENIX and future EIC detectors (Phase-I)

With an ever increasing demand for high precision data from modern detectors for discovery science and precision measurements, all major high energy nuclear and particle experiments, current and future, are facing the challenge on how to deal with the large volume of raw data generated from sophisticated state-of-the-art detectors in high rate collisions. These goals need to be balanced with available hardware and cost limits on DAQ (Data AcQuisition system) bandwidth and offline computing resources to capture, store and process the signal events. Two prototypical examples are the upcoming sPHENIX experiment, the DOE next generation heavy ion physics experiment at the Relativistic Heavy Ion Collider at BNL, and the future EIC experiments that are planned to be online circa 2030.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗