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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
NASA NTRS2007

Program Analyzes Spacecraft/Ground Radio Links

A versatile computer program analyzes the link-design control table necessary for designing the telecommunication subsystem of a spacecraft in orbit around the Earth or on a deep-space mission. The program helps to calculate all the important parameter values for spacecraft-to-ground telemetry links and ground-to-spacecraft command links. The program also enables the design of turn-around ranging and one-way ranging links, which are very useful for determining the positions of spacecraft and for satisfying various other operational needs. The user can specify several aspects of spacecraft telecommunication-subsystem design, including the nature of the antenna (paraboloidal reflector, patch, dipole, etc.), the power-amplifier rating, and the link data rate. The program enables the use of comparative design procedures and includes an extensive database on the capabilities, attributes, and costs of commercially available telecommunications equipment. Hence, the program can also perform cost analyses. The software includes an extensive ground-station database, so that link design can be carried out using different ground stations in a comparative process in an effort to select the best design. The output of the program is in the form of graphs as well as numbers.

Lansing, Faiza↗
DOE OSTI2026

Automatic Calibration and Health Monitoring of Infrastructure Sensors

Smart transportation infrastructure relies on networks of heterogeneous sensors - cameras, radars, and lidars - continuously monitoring traffic conditions. However, executing the initial spatial calibration of multiple sensors and the subsequent health monitoring presents significant operational challenges. Environmental factors, mechanical vibrations, and gradual drift cause spatial misalignment, degrading fusion performance and tracking accuracy. Traditional calibration approaches require manual intervention with specialized targets or survey equipment, resulting in service interruptions and high maintenance costs. This work presents an automated framework for initial calibration and continuous health monitoring without human intervention or service disruption. Our approach addresses two critical problems: (1) detecting when sensors become miscalibrated during operation, and (2) automatically re-establishing spatial alignment using only operational traffic data. The health monitoring component analyzes measurement innovations - differences between sensor observations and predicted object states - to detect systematic biases indicative of calibration drift. By computing bias magnitude, directional consistency, and rejection rates, the system identifies miscalibrations as small as 0.5 meters. Unlike traditional methods requiring known calibration targets, our diagnostic operates continuously on live traffic observations, enabling early detection before fusion quality degrades. The automatic recalibration algorithm leverages overlapping sensor fields-of-view and temporal correlation of vehicle observations. Using graph-based optimization, the system automatically discovers which sensor pairs observe common regions, estimates pairwise spatial transformations using RANSAC-based robust estimation, and jointly optimizes all sensor poses through bundle adjustment. The framework handles practical deployment challenges, including different sensor sampling rates (1-10 Hz), varying installation positions, unknown orientations, and limited overlap regions (>10%). When approximate sensor positions are available from installation surveys (+/-1m accuracy), the algorithm additionally estimates sensor orientations, refining both position and rotation to sub-meter and sub-degree accuracy. We validate the framework on multi-hour traffic datasets from six heterogeneous sensors with sampling rates ranging from 1 Hz to 10 Hz. Results demonstrate successful calibration even with sparse overlap (<20%) and automatic detection of miscalibrations exceeding 0.8 meters. This work enables a "deploy-and-forget" sensor infrastructure that maintains calibration autonomously, reducing maintenance costs while improving tracking accuracy. The techniques generalize beyond transportation to any multi-sensor monitoring application requiring robust spatial alignment, including smart cities, industrial monitoring, and surveillance systems.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

A survey on checkpointing strategies: Should we always checkpoint à la Young/Daly?

The Young/Daly formula provides an approximation of the optimal checkpointing period for a parallel application executing on a supercomputing platform. It was originally designed to handle fail-stop errors for preemptible tightly-coupled applications, but has been extended to other application and resilience frameworks. Here, we provide some background and survey various scenarios to assess the usefulness and limitations of the formula, both for preemptible applications and workflow applications represented as a graph of tasks. We also discuss scenarios with uncertainties, and extend the study to silent errors. We exhibit cases where the optimal period is of a different order than that dictated by the Young/Daly formula, and finally we explain how checkpointing can be further combined with replication.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Automated exploitation of the big configuration space of large adsorbates on transition metals reveals chemistry feasibility

Mechanistic understanding of large molecule conversion and the discovery of suitable heterogeneous catalysts have been lagging due to the combinatorial inventory of intermediates and the inability of humans to enumerate all structures. Here, we introduce an automated framework to predict stable configurations on transition metal surfaces and demonstrate its validity for adsorbates with up to 6 carbon and oxygen atoms on 11 metals, enabling the exploration of ~10 8 potential configurations. It combines a graph enumeration platform, force field, multi-fidelity DFT calculations, and first-principles trained machine learning. Clusters in the data reveal groups of catalysts stabilizing different structures and expose selective catalysts for showcase transformations, such as the ethylene epoxidation on Ag and Cu and the lack of C-C scission chemistry on Au. Deviations from the commonly assumed atom valency rule of small adsorbates are also manifested. This library can be leveraged to identify catalysts for converting large molecules computationally.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Experimental Observations of the Topology of Convolutional Neural Network Activations

Topological data analysis (TDA) is a branch of computational mathematics, bridging algebraic topology and data science, that provides compact, noise-robust representations of complex structures. Deep neural networks (DNNs) learn millions of parameters associated with a series of transformations defined by the model architecture resulting in high-dimensional, difficult to interpret internal representations of input data. As DNNs become more ubiquitous across multiple sectors of our society, there is increasing recognition that mathematical methods are needed to aid analysts, researchers, and practitioners in understanding and interpreting how these models' internal representations relate to the final classification. In this paper we apply cutting edge techniques from TDA with the goal of gaining insight towards interpretability of convolutional neural networks used for image classification. We use two common TDA approaches to explore several methods for modeling hidden layer activations as high-dimensional point clouds, and provide experimental evidence that these point clouds capture valuable structural information about the model's process. First, we demonstrate that a distance metric based on persistent homology can be used to quantify meaningful differences between layers and discuss these distances in the broader context of existing representational similarity metrics for neural network interpretability. Second, we show that a mapper graph can provide semantic insight as to how these models organize hierarchical class knowledge at each layer. These observations demonstrate that TDA is a useful tool to help deep learning practitioners unlock the hidden structures of their models.

topological data analysis, deep learning↗
NASA NTRS1978

Characteristics of Li-SOCl2 cells

A general discussion of the characteristics of Li-SOC12 cells is presented. Three different shaped cells were selected for study; prismatic, cylindrical, and disc. The characteristics of the cells were obtained through nondestructive and destructive testing which are discussed. Graphs are presented which represent the various parameters investigated. Workshop participant comments and questions are also included.

Warburton, D. L.↗
NASA NTRS2012

Wide Range SET Pulse Measurement

A method for measuring a wide range of SET pulses is demonstrated. Use of dynamic logic, faster than ordinary CMOS, allows capture of short pulses. A weighted binning of SET lengths allows measurement of a wide range of pulse lengths with compact circuitry. A pulse-length-conservative pulse combiner tree routes SETs from combinational logic to the measurement circuit, allowing SET measurements in circuits that cannot easily be arranged in long chains. The method is applied to add-multiplex combinational logic, and to an array of NFET routing switches, at .35 micron. Pulses are captured in a chain of Domino Logic AND gates. Propagation through the chain is frozen on the trailing edge by dropping low the second "enable" input to the AND gates. Capacitive loading is increased in the latter stages to create an approximately logarithmic weighted binning, so that a broad range of pulse lengths can be captured with a 10 stage capture chain. Simulations show pulses can be captured which are 1/5th the length of those typically captured with leading edge triggered latch methods, and less than the length of those captured with a trailing edge latch method. After capture, the pulse pattern is transferred to an SEU protected shift register for readout. 64 instances of each of two types of logic are used as targets. One is a full adder with a 4 to 1 mux on its inputs. The other is a 4 x 4 NFET routing matrix. The outputs are passed through buffered XNOR comparators to identify pulses, which are merged in a buffered not-nand (OR) tree designed to avoid pulse absorption as much as possible. The output from each of the two test circuits are input into separate pulse measurement circuits. Test inputs were provided so that the circuit could be bench tested and calibrated. A third SET measurement circuit with no inputs was used to judge the contribution from direct hits on the measurement circuit. Heavy ions were used with an LET range from 12 to 176. At LET of 21 and below, the very small number of SETs were not significantly higher in the test over the control circuits. At higher LET the test circuit SETs are one or two orders of magnitude greater than for the control circuit. The NFET circuit produces more and slightly longer SETs as expected. But the differences do not appear to be significant enough to modify strategies now used to avoid capture of SETs in chips such as FPGAs. Complete data and graphs will be in the full paper / presentation. In the summary figure below left, NOCL is the reference circuit without any input, and number of stages triggered is plotted. Simulation at right shows the smallest pulse captured (stage 2) at about 300 ps. Our conclusion is that the method is promising, but that improvements in the merge network are desirable before applying in a deep submicron process

Shuler, Robert L.↗
NASA NTRS2017

RNAV STAR Procedural Adherence

Flight crews and air traffic controllers have reported many safety concerns regarding area navigation standard terminal arrival routes (RNAV STARs). However, our information sources to quantify these issues are limited to subjective reporting and time consuming case-by-case investigations. This work is a preliminary study into the objective performance of instrument procedures and provides a framework to track procedural concepts and assess design functionality. We created a tool and analysis methods for gauging aircraft adherence as it relates to RNAV STARs. This information is vital for comprehensive understanding of how our air traffic behaves. In this exploratory archival study, we mined the performance of 24 major US airports over the preceding three years. Overlaying radar track data on top of RNAV STAR routes provided a comparison between aircraft flight paths and the waypoint positions and altitude restrictions. NASA Ames Supercomputing resources were utilized to perform the data mining and processing. We assessed STARs by lateral transition path (full-lateral), vertical restrictions (full-lateralfull-vertical), and skipped waypoints (skips). In addition, we graphed aircraft altitudes relative to the altitude restrictions and their occurrence rates. Full-lateral adherence was generally greater than Full-lateralfull-vertical, but the difference between the rates was not always consistent. Full-lateralfull-vertical adherence medians of the 2016 procedures ranged from 0 in KDEN (Denver) to 21 in KMEM (Memphis). Waypoint skips ranged from 0 to nearly 100 for specific waypoints. Altitudes restrictions were sometimes missed by systematic amounts in 1000 ft. increments from the restriction, creating multi-modal distributions. Other times, altitude misses looked to be more normally distributed around the restriction. This tool may aid in providing acceptability metrics as well as risk assessment information.

rnav↗
DOE OSTI2023

Topological Relationship–Based Flow Direction Modeling: Mesh–Independent River Networks Representation

River networks are important features in surface hydrology. However, accurately representing river networks in spatially distributed hydrologic and Earth system models is often sensitive to the model's spatial resolution. Specifically, river networks are often misrepresented because of the mismatch between the model's spatial resolution and river network details, resulting in significant uncertainty in the projected flow direction. In this study, we developed a topological relationship-based river network representation method for spatially distributed hydrologic models. This novel method uses (a) graph theory algorithms to simplify real-world vector-based river networks and assist in mesh generation; and (b) a topological relationship-based method to reconstruct conceptual river networks. The main advantages of our method are that (a) it combines the strengths of vector-based and DEM raster-based river network extraction methods; and (b) it is mesh-independent and can be applied to both structured and unstructured meshes. This method paves a path for advanced terrain analysis and hydrologic modeling across different scales.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1987

The definition of the low earth orbital environment and its effect on thermal control materials

The LEO environment and its effects on thermal-control materials (TCMs) being evaluated for use in long-term-mission space structures such as the Space Station are characterized, summarizing the results of recent space and laboratory experiments. Factors examined include atomic oxygen (a serious problem out to 600-700 km), ionizing radiation, solar UV radiation, solid particles (manmade debris and micrometeoroids, a significant hazard out to about 1000 km), and synergistic effects. Numerical data on the expected intensity of these effects for the different Space Station components, the resistance of specific TCMs to the effects, and the effectiveness of protective coatings are compiled in extensive tables and illustrated with diagrams, graphs, and micrographs.

Durcanin, J. T.↗
NASA NTRS1988

A multicomponent model of the infrared emission from Comet Halley

The 3-200-micron emission of Comet Halley is characterized theoretically by means of numerical simulations. Models with different populations of refractory dust grains are developed, applying compositional and spectral constraints based on ground-based and spacecraft observations. The results are presented in extensive graphs and discussed in detail. Best agreement between predicted and observed Halley emission is obtained for models with 8-40 times more crystalline silicate grains (by mass) than amorphous carbon grains. For the silicate grains, the predominance of large grains and thin carbonaceous coatings are found to account for the lack of a 10-micron silicate feature and the dark appearance of the comet, respectively.

Swamy, Krishna K. S.↗
DOE OSTI2025

GSplit: Scaling Graph Neural Network Training on Large Graphs via Split-Parallelism

Graph neural networks (GNNs), an emerging class of machine learning models for graphs, have gained popularity for their superior performance in various graph analytical tasks. Mini-batch training is commonly used to train GNNs on large graphs, and data parallelism is the standard approach to scale mini-batch training across multiple GPUs. Data parallel approaches contain redundant work as subgraphs sampled by different GPUs contain significant overlap. To address this issue, we introduce a hybrid parallel mini-batch training paradigm called Split parallelism. Split parallelism avoids redundant work by splitting the sampling, loading, and training of each mini-batch across multiple GPUs. Split parallelism, however, introduces communication overheads that can be more than the savings from removing redundant work. We further present a lightweight partitioning algorithm that probabilistically minimizes these overheads. We implement spllit parllelism in GSplit and show that it outperforms state-of-the-art mini-batch training systems like DGL, Quiver, and P3.

Lim, Seung-Hwan [ORNL] (ORCID:0000000194616866)↗
DOE OSTI2024

Graph-learning approach to combine multiresolution seismic velocity models

SUMMARY The resolution of velocity models obtained by tomography varies due to multiple factors and variables, such as the inversion approach, ray coverage, data quality, etc. Combining velocity models with different resolutions can enable more accurate ground motion simulations. Toward this goal, we present a novel methodology to fuse multiresolution seismic velocity maps with probabilistic graphical models (PGMs). The PGMs provide segmentation results, corresponding to various velocity intervals, in seismic velocity models with different resolutions. Further, by considering physical information (such as ray path density), we introduce physics-informed probabilistic graphical models (PIPGMs). These models provide data-driven relations between subdomains with low (LR) and high (HR) resolutions. Transferring (segmented) distribution information from the HR regions enhances the details in the LR regions by solving a maximum likelihood problem with prior knowledge from HR models. When updating areas bordering HR and LR regions, a patch-scanning policy is adopted to consider local patterns and avoid sharp boundaries. To evaluate the efficacy of the proposed PGM fusion method, we tested the fusion approach on both a synthetic checkerboard model and a fault zone structure imaged from the 2019 Ridgecrest, CA, earthquake sequence. The Ridgecrest fault zone image consists of a shallow (top 1 km) high-resolution shear-wave velocity model obtained from ambient noise tomography, which is embedded into the coarser Statewide California Earthquake Center Community Velocity Model version S4.26-M01. The model efficacy is underscored by the deviation between observed and calculated traveltimes along the boundaries between HR and LR regions, 38 per cent less than obtained by conventional Gaussian interpolation. The proposed PGM fusion method can merge any gridded multiresolution velocity model, a valuable tool for computational seismology and ground motion estimation.

Geochemistry & Geophysics↗
DOE OSTI2023

A Graph Convolutional Network for Active Distribution System Anomaly Detection Considering Measurement Spatial-Temporal Correlations

The accuracy of distribution system state estimation may be significantly impacted by the existence of bad measure-ments and unexpected topology errors. This paper proposes a data-driven Graph Convolutional Network (GCN) for anomaly detection, including bad measurements and topology change events. Compared to many existing machine learning approaches, the proposed approach embeds both spatial-temporal measure-ment correlations, which allows us to detect and distinguish different anomalies. Numerical results carried out on the IEEE 37-node system demonstrate that the proposed-based method can obtain high accuracy in detecting bad data and topology changes as compared to other approaches, even in the presence of high PV penetrations.

active distribution system↗
NASA NTRS2023

Predicting Two-Dimensional Airfoil Performance Using Graph Neural Networks

Computer simulations require the use of meshes to simulate geometries. These meshes capture important geometric features of the design and can be used in machine learning modeling. This report explores the use of graph neural networks (GNNs) to learn features from two-dimensional (2D) airfoil designs represented as a set of nodes connected using edges. This type of network is common in aerospace applications: most geometries are represented as a mesh in order to perform analysis. The objective of this work is to use GNNs to predict the performance of 2D airfoils generated using the program XFOIL. The predicted performance parameters include bulk quantities such as coefficients of lift (C L ), drag (C d , C dp ), moment (C m ), and node-specific quantities such as coefficient of pressure (C p ). In this report, a spline convolutional graph-based neural network is compared with deep learning neural networks to predict both bulk and node-specific quantities. The findings indicate the GNNs are able to predict bulk quantities quite well; however, when the number of outputs is increased, the deep neural network (DNN) proves to be better in its prediction capability. Two different normalization strategies were compared in the training of both GNNs and DNNs: minmax and standard deviation. In both types of networks, standard deviation scaling proved to be the best.

machine learning↗
DOE OSTI2022

Representations and strategies for transferable machine learning improve model performance in chemical discovery

Strategies for machine-learning (ML)-accelerated discovery that are general across material composition spaces are essential, but demonstrations of ML have been primarily limited to narrow composition variations. By addressing the scarcity of data in promising regions of chemical space for challenging targets such as open-shell transition-metal complexes, general representations and transferable ML models that leverage known relationships in existing data will accelerate discovery. Over a large set (~1000) of isovalent transition-metal complexes, we quantify evident relationships for different properties (i.e., spin-splitting and ligand dissociation) between rows of the Periodic Table (i.e., 3d/4d metals and 2p/3p ligands). We demonstrate an extension to the graph-based revised autocorrelation (RAC) representation (i.e., eRAC) that incorporates the group number alongside the nuclear charge heuristic that otherwise overestimates dissimilarity of isovalent complexes. To address the common challenge of discovery in a new space where data are limited, we introduce a transfer learning approach in which we seed models trained on a large amount of data from one row of the Periodic Table with a small number of data points from the additional row. We demonstrate the synergistic value of the eRACs alongside this transfer learning strategy to consistently improve model performance. Analysis of these models highlights how the approach succeeds by reordering the distances between complexes to be more consistent with the Periodic Table, a property we expect to be broadly useful for other material domains.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Current and future directions in network biology

Network biology is an interdisciplinary field bridging computational and biological sciences that has proved pivotal in advancing the understanding of cellular functions and diseases across biological systems and scales. Although the field has been around for two decades, it remains nascent. It has witnessed rapid evolution, accompanied by emerging challenges. These stem from various factors, notably the growing complexity and volume of data together with the increased diversity of data types describing different tiers of biological organization. We discuss prevailing research directions in network biology, focusing on molecular/cellular networks but also on other biological network types such as biomedical knowledge graphs, patient similarity networks, brain networks, and social/contact networks relevant to disease spread. In more detail, we highlight areas of inference and comparison of biological networks, multimodal data integration and heterogeneous networks, higher-order network analysis, machine learning on networks, and network-based personalized medicine. Following the overview of recent breakthroughs across these five areas, we offer a perspective on future directions of network biology. Additionally, we discuss scientific communities, educational initiatives, and the importance of fostering diversity within the field. This article establishes a roadmap for an immediate and long-term vision for network biology.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Linear complexity

We present factorization and solution phases for a new linear complexity direct solver designed for concurrent batch operations on fine-grained parallel architectures, for matrices amenable to hierarchical representation. We focus on the strong-admissibility-based $\mathscr{H}^{2}$ format, where strong recursive skeletonization factorization compresses remote interactions. We build upon previous implementations of $\mathscr{H}^{2}$ matrix construction for efficient factorization and solution algorithm design, which are illustrated graphically in stepwise detail. The algorithms are ‘blackbox’ in the sense that the only inputs are the matrix and right-hand side, without analytical or geometrical information about the origin of the system. We demonstrate linear complexity scaling in both time and memory on four representative families of dense matrices up to one million in size. Parallel scaling up to 16 threads is enabled by a multi-level matrix graph coloring and avoidance of dynamic memory allocations thanks to prefix-sum memory management. An experimental backward error analysis is included. We break down the timings of different phases, identify phases that are memory-bandwidth limited, and discuss alternatives for phases that may be sensitive to the trend to employ lower precisions for performance.

Boukaram, Wajih↗