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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

The Model Assessment Wizard (MAW): A Visualization System for Ontology Constraint Violations

Validation and verification of engineering models is important to understand potential weaknesses and issues in the model. This is accomplished through the application of constraint logic to the model. These models and the constraints put upon them can be represented through a graph structure. Here we give a visualization system to aid users understanding, locating, and fixing constraint violations in their systems. We give users several ways to narrow down on the specific errors and parts of the graph they’re interested in. Users have the opportunity to choose the types of errors that will be shown in the graph. Clustering is applied to the graph to help users narrow down their searches. Several other graph interactions are given to support discovery of constraint violations.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1973

Frequency modulation television analysis: Distortion analysis

Computer simulation is used to calculate the time-domain waveform of standard T-pulse-and-bar test signal distorted in passing through an FM television system. The simulator includes flat or preemphasized systems and requires specification of the RF predetection filter characteristics. The predetection filters are modeled with frequency-symmetric Chebyshev (0.1-db ripple) and Butterworth filters. The computer was used to calculate distorted output signals for sixty-four different specified systems, and the output waveforms are plotted for all sixty-four. Comparison of the plotted graphs indicates that a Chebyshev predetection filter of four poles causes slightly more signal distortion than a corresponding Butterworth filter and the signal distortion increases as the number of poles increases. An increase in the peak deviation also increases signal distortion. Distortion also increases with the addition of preemphasis.

Hodge, W. H.↗
NASA NTRS1979

A thermal vacuum test optimization procedure

An analytical model was developed that can be used to establish certain parameters of a thermal vacuum environmental test program based on an optimization of program costs. This model is in the form of a computer program that interacts with a user insofar as the input of certain parameters. The program provides the user a list of pertinent information regarding an optimized test program and graphs of some of the parameters. The model is a first attempt in this area and includes numerous simplifications. The model appears useful as a general guide and provides a way for extrapolating past performance to future missions.

Kruger, R.↗
NASA NTRS1990

Model-based estimation of wind fields over the ocean from wind scatterometer measurements. I - Development of the wind field model. II - Model parameter estimation

Techniques for the determination of near-surface mesoscale ocean wind fields on the basis of satellite scatterometer data are developed and demonstrated. The derivation of normal-boundary and parameterized-boundary-condition (PBC) wind-field models is outlined, and results from a simulation performed to estimate the model errors are presented in tables. It is shown that the PBC model provides accurate results while minimizing the number of unknowns. After a review of the principles of scatterometry and an analysis of scatterometer measurement noise, an objective function for the measurement parameters is developed and optimized on the basis of gradient search with initial values computed from pointwise wind estimates. The model is then applied to data from a simulation of the NASA Scatterometer (Li et al., 1984), and the results are presented in extensive graphs. The feasibility of model-based wind-field estimation and the appropriateness of the PBC model are demonstrated.

Long, David G.↗
NASA NTRS2009

Human-System Integration Scorecard Update to VB.Net

The purpose of this project was to create Human-System Integration (HSI) scorecard software, which could be utilized to validate that human factors have been considered early in hardware/system specifications and design. The HSI scorecard is partially based upon the revised Human Rating Requirements (HRR) intended for NASA's Constellation program. This software scorecard will allow for quick appraisal of HSI factors, by using visual aids to highlight low and rapidly changing scores. This project consisted of creating a user-friendly Visual Basic program that could be easily distributed and updated, to and by fellow colleagues. Updating the Microsoft Word version of the HSI scorecard to a computer application will allow for the addition of useful features, improved easy of use, and decreased completion time for user. One significant addition is the ability to create Microsoft Excel graphs automatically from scorecard data, to allow for clear presentation of problematic areas. The purpose of this paper is to describe the rational and benefits of creating the HSI scorecard software, the problems and goals of project, and future work that could be done.

Sanders, Blaze D.↗
DOE OSTI2023

Faster approximate subgraph counts with privacy

One of the most common problems studied in the context of differential privacy for graph data is counting the number of non-induced embeddings of a subgraph in a given graph. These counts have very high global sensitivity. Therefore, adding noise based on powerful alternative techniques, such as smooth sensitivity and higher-order local sensitivity have been shown to give significantly better accuracy. However, all these alternatives to global sensitivity become computationally very expensive, and to date efficient polynomial time algorithms are known only for few selected subgraphs, such as triangles, k-triangles, and k-stars. In this paper, we show that good approximations to these sensitivity metrics can be still used to get private algorithms. Using this approach, we much faster algorithms for privately counting the number of triangles in real-world social networks, which can be easily parallelized. We also give a private polynomial time algorithm for counting any constant size subgraph using less noise than the global sensitivity; we show this can be improved significantly for counting paths in special classes of graphs

Nguyen, Dung↗
DOE OSTI2023

A Fine-grained Asynchronous Bulk Synchronous parallelism model for PGAS applications

The Partitioned Global Address Space (PGAS) model is well suited for executing irregular applications on cluster-based systems, due to its efficient support for short, one-sided messages. Separately, the actor model has been gaining popularity as a productive asynchronous message-passing approach for distributed objects in enterprise and cloud computing platforms, typically implemented in languages such as Erlang, Scala or Rust. To the best of our knowledge, there has been no past work on using the actor model to deliver both productivity and scalability to irregular PGAS applications with large number of small messages. In this paper, we introduce a new programming system for PGAS applications, in which point-to-point remote operations can be expressed as fine-grained asynchronous actor messages. In our approach, the programmer does not need to worry about programming complexities related to message aggregation and termination detection. Our approach can be viewed as extending the classical Bulk Synchronous Parallelism model with fine-grained asynchronous communications within a phase or superstep. Here, we believe that our approach offers a desirable point in the productivity-performance space for PGAS applications, with more scalable performance and higher productivity relative to past approaches. Specifically, for seven irregular mini-applications from the Bale Kernels and three graph kernels executed using 2048 cores in the NERSC Cori system, our approach shows geometric mean performance improvements of ≥ 20X relative to standard PGAS versions (UPC and OpenSHMEM) while maintaining comparable productivity to those versions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Prepare Ground States of Highly Frustrated Magnetic Clusters on Quantum Computers

Solving challenging problems in physical, chemical, and materials sciences is one of the most promising applications of quantum utility that can be realized on current noisy hardware, considering (i) the direct map (encoding) from the quantum particles and their interactions to the qubits and their entangling gates and (ii) the rapidly improved quantum hardware and advanced error-mitigation techniques. Understanding quantum spin liquid in frustrated magnetic materials is a longstanding challenge in condensed matter physics and the nature of the ground-state phases is highly debated among researchers. Using IBM quantum computers with superconducting qubits, we implemented a variational quantum eigensolver (VQE) algorithm to prepare the ground states of two 12-site cluster approximations of these highly frustrated magnetic materials. The interaction graphs of the two corresponding Hamiltonians are (a) the six-pointed star graph (a unit cell of the kagome lattice) and (b) the cuboctahedral graph (the kagome on a sphere). These are also two instances of Quantum Max Cut problem. With the VQE based on the Hamiltonian variational ansatz acting on a valence bond solid initial trial state, we prepared the ground states and obtained the exact ground energy on simulator and high accuracy on noisy hardware. The deep ansatz necessary to reach the ground state of the cuboctahedral graph indicates that it is a hard instance of Quantum Max Cut.

Wang, Yan↗
DOE OSTI2025

Hydrological connectivity: a review and emerging strategies for integrating measurement, modeling, and management

This review synthesizes methods for measuring, modeling, and managing hydrologic connectivity, offering pathways to improve practices and address environmental challenges (e.g., climate change) and sustainability. As a key driver of water movement and nutrient cycling, hydrologic connectivity influences flood mitigation, water quality regulation, and biodiversity conservation. However, traditional field-based methods (e.g., dye tracing), indirect measurements (e.g., runoff analysis), and remote sensing techniques (e.g., InSAR) often struggle to capture the complexity of catchment-scale interactions. Similarly, modeling approaches—including process-based and percolation theory-based models, graph theory, and entropy-based metrics—face limitations in fully representing these interconnected processes. Both modeling and measurement techniques are constrained by inadequate spatial and temporal coverage, high data demands, computational complexity, and difficulties in representing subsurface connectivity. Subsequently, we critique current management practices that prioritize isolated variables (e.g., streamflow, sediment transport) over system-wide strategies and emphasize the need for adaptive, connectivity-based approaches in water resource planning and restoration. Moving forward, we highlight the importance of interdisciplinary collaboration, technological innovations (e.g., AI-driven modeling, real-time monitoring), and integrated frameworks to improve connectivity measurement, modeling, and adaptive management to restore fragmented hydrologic networks. This integrated approach sets the stage for transformative water resource management, fostering proactive policy development and stakeholder engagement.

Dwivedi, Dipankar↗
NASA NTRS1991

Status of Sundstrand research

Wind shear detection status is presented in the form of view-graphs. The following subject areas are covered: second generation detection (Q-bias, gamma bias, temperature biases, maneuvering flight modulation, and altitude modulation); third generation wind shear detection (use wind shear computation to augment flight path and terrain alerts, modulation of alert thresholds based on wind/terrain data base, incorporate wind shear/terrain alert enhancements from predictive sensor data); and future research and development.

Bateman, Don↗
DOE OSTI2020

Multilevel graph embedding

The goal of the present paper is the design of embeddings of a general sparse graph into a set of points in $\mathbb{R}^d$ for appropriate d ≥ 2. The embeddings that we are looking at here aim to keep vertices that are grouped in communities together and keep the rest apart. To achieve this property, we utilize coarsening that respects possible community structures of the given graph. We employ a hierarchical multilevel coarsening approach that identifies communities (strongly connected groups of vertices) at every level. The multilevel strategy allows any given (presumably expensive) graph embedding algorithm to be made into a more scalable (and faster) algorithm. We demonstrate the presented approach on a number of given embedding algorithms and large-scale graphs and achieve speed-up over the methods in a recent paper.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Leveraging Natural Language Processing and Generative Models in Molecular Chemistry: Property Prediction and Novel Compound Generation

The accurate prediction of molecular properties is important for the rational design and the advancement of green chemistry and sustainable materials research. However, the predictive power of traditional computational chemistry methods is limited due to computational restrictions. Here, in this study, we examine an alternative approach to the accurate prediction of properties of organic compounds: natural language processing (NLP)-based molecular embedding. Using viscosity, partition coefficient (log P), and enthalpy of vaporization as test properties through a survey of comprehensive datasets comprising 5695 data points for viscosity, 25 870 data points for log P, and 2296 data points for enthalpy of vaporization. These are important properties for the design of greener, safer, and sustainable chemical processes. Models were trained using NLP methods such as Mol2vec and fine-tuned ChemBERTa, and results were compared with traditional input featurization techniques such as Morgan fingerprints and quantum chemistry derived sigma profiles and DFT features. Among the various machine learning models, Mol2vec demonstrated superior predictive capabilities, achieving the highest correlation coefficient (R 2 = 0.945) and lowest RMSE (0.106 mPa s) for viscosity, as well as high accuracy for log P and enthalpy of vaporization predictions. These findings establish the Mol2vec featurization technique, graph-convolutional neural networks (GCNN), and fine-tuned ChemBERTa model as powerful tools for predictive modeling of organic compounds properties, offering a significant improvement over previously used featurization techniques and opening up strategies for very-high-throughput computational screening. Finally, we integrated ML models with hybrid language-model-based generative adversarial networks (LM-GAN) to generate novel molecular sequences with desirable properties for different research applications. The ability to computationally design solvents with lower viscosity, lower log P, and lower enthalpy of vaporization offers a data-driven route to accelerating the discovery of sustainable alternatives to traditionally toxic solvents.

ChemBERTa↗
DOE OSTI2020

Provenance infrastructure for multimodal x-ray experiments and reproducible analysis

Exploring relationships between material structures and desired properties for material discovery and synthesis requires mining machine-readable databases and linking experimental data with sufficiently rich annotations. There are vast gaps both in these data sources and in the connections between them. We present a provenance-based data management and analysis framework that enables capturing, persisting, and reanalyzing experimental data from the BNL National Synchrotron Light Source II (NSLS-II). Our system leverages NSLS-II Bluesky for experimental data acquisition, captures analysis parameters, and enriches the search space with results from the scientific literature. We describe in detail the challenges and benefits of data-driven approaches when comparing computational and experimental data, such as the multiple possible scenarios of interest in often ill-posed inverse problems and missing data. Our infrastructure utilizes the NSLS-II event model and includes discovery mechanisms across multiple beamlines. A text and data mining module using natural language processing classification techniques extracts relevant information from the literature that is added to data sources. We describe a provenance acquisition and analysis rerun workflow based on a directed acyclic graph that keeps track of process and data provenance and allows to replay analysis.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Equivariant, safe and sensitive — graph networks for new physics

This study introduces a novel Graph Neural Network (GNN) architecture that leverages infrared and collinear (IRC) safety and equivariance to enhance the analysis of collider data for Beyond the Standard Model (BSM) discoveries. By integrating equivariance in the rapidity-azimuth plane with IRC-safe principles, our model significantly reduces computational overhead while ensuring theoretical consistency in identifying BSM scenarios amidst Quantum Chromodynamics backgrounds. The proposed GNN architecture demonstrates superior performance in tagging semi-visible jets, highlighting its potential as a robust tool for advancing BSM search strategies at high-energy colliders.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1983

FORTRAN plotting subroutines for the space plasma laboratory

The computer program known as PLOTRW was custom made to satisfy some of the graphics requirements for the data collected in the Space Plasma Laboratory at the Johnson Space Center (JSC). The general requirements for the program were as follows: (1) all subroutines shall be callable through a FORTRAN source program; (2) all graphs shall fill one page and be properly labeled; (3) there shall be options for linear axes and logarithmic axes; (4) each axis shall have tick marks equally spaced with numeric values printed at the beginning tick mark and at the last tick mark; and (5) there shall be three options for plotting. These are: (1) point plot, (2) line plot and (3) point-line plot. The subroutines were written in FORTRAN IV for the LSI-11 Digital equipment Corporation (DEC) Computer. The program is now operational and can be run on any TEKTRONICX graphics terminal that uses a DEC Real-Time-11 (RT-11) operating system.

Williams, R.↗
NASA NTRS1988

The ATAMM procedure model for concurrent processing of large grained control and signal processing algorithms

An overview is presented of a model for describing data and control flow associated with the execution of large-grained, decision-free algorithms in a special distributed computer environment. The ATAMM (Algorithm-To-Architecture Mapping Model) model provides a basis for relating an algorithm to its execution in a dataflow multicomputer environment. The ATAMM model features a marked graph Petri net description of the algorithm behavior with regard to both data and control flow. The model provides an analytical basis for calculating performance bounds on throughput characteristics which are demonstrated here.

Stoughton, John W.↗