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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

nuclear-score-maximization v1.0

This software library presents efficient and multithreaded implementations of matrix low rank approximation via column selection in C++17 code. The algorithms are described in Fornace, Mark, and Michael Lindsey. "Column and row subset selection using nuclear scores: algorithms and theory for Nystro m approximation, CUR decomposition, and graph Laplacian reduction." arXiv preprint arXiv:2407.01698 (2024). The presented methods are by-and-large ver novel, have provable approximation guarantees, multiple use-cases, and exhibit higher quality approximations on a variety of studied examples.

Fornace, Mark↗
DOE OSTI2023

Natural Language Processing-Enhanced Nuclear Industry Operating Experience Data Analysis: Aggregation and Interpretation of Multi-Report Analysis Results

Industry-wide operating experience is a critical source of raw data for reliability and risk model parameter estimations for nuclear power plants. A large portion of operating experience data are failure events stored as reports that contain unstructured data, such as narratives. In current practice, a failure report is usually reviewed and manually coded by analysts. The coding is based on extracting several event characteristics such as system name, component type, sub-part type, failure mode, and failure cause. Event narratives are mostly used to help understand events and extract their characteristics. In this line of research, we aim to maximize the usage of event narratives by leveraging natural language processing (NLP) methods to automatically convert an event narrative to a causal graph. This research has promise to improve physical understanding of failure initiation and propagation and to facilitate use of non-failure data (e.g., near-misses and degradations) to complement the limited data pool of failures. In our previous work, we developed an NLP tool and applied it to analyze a number of licensee event reports submitted by U.S. nuclear power plants to the Nuclear Regulatory Commission. In this paper, we will report our recent research progress in aggregating the results of multiple reports, developing network model(s), and drawing statistical insights.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS1981

A graphics primer for English Teachers

Skills necessary for teaching graphics are addressed. A simple, step by step method of teaching students how to draw different types of graphs is presented. Each step is illustrated by a drawing. Some audience analysis for the determination of appropriateness of the use of different types of graphs is included.

Brillhart, L. V.↗
NASA NTRS1984

The ZnSe(110) puzzle - Comparison with GaAs(110)

The surface structure of monocrystalline ZnSe(110) and of 4-5-nm-thick ZnSe(110) layers epitaxially grown on GaAs(110) is investigated by means of elastic LEED and AES; the results are analyzed using the computer programs and R-factor methods of Duke et al. (1981 and 1983), presented in graphs and tables, and compared to those for GaAs(110). Significant differences are attributed to bond-length-conserving outward rotation of Se and inward rotation of Zn in the top layer, with an angle of 4 deg between the actual plane of the cation-anion chain and the truncated bulk surface. The R intensities measured for ZnSe(110) and GaAs(110) are given as Rx = 0.22 and RI = 0.21 and Rx = 0.24 and RI = 0.16, respectively.

Duke, C. B.↗
NASA NTRS1987

Generalized approach to cooling charge-coupled devices using thermoelectric coolers

This paper is concerned with the use of thermoelectric coolers (TECs) to cool charge-coupled devices (CCDs). Heat inputs to the CCD from the warmer environment are identified, and generalized graphs are used to approximate the major heat inputs. A method of choosing and estimating the power consumption of the TEC is discussed. This method includes the use of TEC performance information supplied by the manufacturer and equations derived from this information. Parameters of the equations are tabulated to enable the reader to use the TEC performance equations for choosing and estimating the power needed for specific TEC applications.

Petrick, S. Walter↗
NASA NTRS1989

Space Shuttle Main Engine component assembly, assignment, and scheduling expert system

The SSME's Component Assembly and Life Management Expert System (CALMES) assists the engine assembly and scheduling process, ensuring that these activities utilize available resources with the greatest possible efficiency. On the basis of parts inventories and a proposed flight schedule, CALMES (1) determined how components may be optimally assembled from the parts inventory, (2) assigns components to flights, (3) schedules component testing, and (4) schedules component assembly. A graph-theoretical optimal matching algorithm, based on a modified simplex method, is applied to the major functions required by the SSME component assembly and scheduling processes.

Dietz, W. E.↗
NASA NTRS1984

Equations of motion for control of the SCOLE laboratory experiment

The objectives of this study are listed as follows: (1) to develop Lagrange's equations of motion for the shuttle antenna configuration in orbit; (2) to modify equations using the Lagrange multiplier method to develop equations of motion for the laboratory experiment; and (3) to discuss methods for simulation and control. The equations are presented in graph form.

Meirovitch, L.↗
NASA NTRS1968

Use of a Magnetic Azimuth-Indicator System Developed for Balloon Payloads of the Planetary Entry Parachute Program

An azimuth-sensing system was used for continuous ground monitoring of the azimuth orientation of the balloon-borne Planetary Entry Parachute Program (PEPP) spacecraft. The system utilized two magnetic field sensors located in the spacecraft so as to produce a unique set of voltage outputs for any azimuth. Electronics onboard the spacecraft encoded the magnetometer outputs and fed the encoded signal to a C-band modulator which imposed the intelligence onto the radar tracking beacon pulses. A conveniently located ground radar received the modulated pulses and the magnetometer outputs were reproduced after demodulation. For fast, direct readout, an X-Y plotter was calibrated to cross plot the reproduced signal of the two magnetometers on a combination rectangular-polar graph indicating the correct true azimuth in real time. The method was used successfully on three of the PEPP balloon-borne spacecraft to determine when the spacecraft was pointed in the most advantageous direction for release from the balloon, at 130,000 ft altitude. The use of such a system of azimuth monitoring is suitable to balloon payloads which are virtually stable with respect to the horizontal but may be rotating about the vertical axis. Angular accuracies within plus or minus 10 deg. could generally be expected.

Darnell, Wayne L.↗
NASA NTRS2000

Flow Analysis of X-34 Main Propulsion System Feedlines

This viewgraph presentation reviews the flow analysis of the propulsion feedlines in the X-34. The objective of the analysis was to determine the flow development at the engine interface, and to predict the pressure drop in the feedline. The presentation shows the design of the feedlines, and the computational grids. It reviews the numerical method, which included solving the curvilinear coordinate transport equations. Line graphs review the computational fluid dynamic results. The results and conclusions are also presented.

Vu, Bruce↗
NASA NTRS2010

Comparison of Traditional Design Nonlinear Programming Optimization and Stochastic Methods for Structural Design

Structural design generated by traditional method, optimization method and the stochastic design concept are compared. In the traditional method, the constraints are manipulated to obtain the design and weight is back calculated. In design optimization, the weight of a structure becomes the merit function with constraints imposed on failure modes and an optimization algorithm is used to generate the solution. Stochastic design concept accounts for uncertainties in loads, material properties, and other parameters and solution is obtained by solving a design optimization problem for a specified reliability. Acceptable solutions were produced by all the three methods. The variation in the weight calculated by the methods was modest. Some variation was noticed in designs calculated by the methods. The variation may be attributed to structural indeterminacy. It is prudent to develop design by all three methods prior to its fabrication. The traditional design method can be improved when the simplified sensitivities of the behavior constraint is used. Such sensitivity can reduce design calculations and may have a potential to unify the traditional and optimization methods. Weight versus reliabilitytraced out an inverted-S-shaped graph. The center of the graph corresponded to mean valued design. A heavy design with weight approaching infinity could be produced for a near-zero rate of failure. Weight can be reduced to a small value for a most failure-prone design. Probabilistic modeling of load and material properties remained a challenge.

Patnaik, Surya N.↗
NASA NTRS2014

The Importance of Data Visualization: Incorporating Storytelling into the Scientific Presentation

From its inception in 2000, one of the primary tasks of the Biomedical Data Reduction Analysis (BDRA) group has been translation of large amounts of data into information that is relevant to the audience receiving it. BDRA helps translate data into an integrated model that supports both operational and research activities. This data integrated model and subsequent visual data presentations have contributed to BDRA's success in delivering the message (i.e., the story) that its customers have needed to communicate. This success has led to additional collaborations among groups that had previously not felt they had much in common until they worked together to develop solutions in an integrated fashion. As more emphasis is placed on working with "big data" and on showing how NASA's efforts contribute to the greater good of the American people and of the world, it becomes imperative to visualize the story of our data to communicate the greater message we need to share. METHODS To create and expand its data integrated model, BDRA has incorporated data from many different collaborating partner labs and other sources. Data are compiled from the repositories of the Lifetime Surveillance of Astronaut Health and the Life Sciences Data Archive, and from the individual laboratories at Johnson Space Center that support collection of data from medical testing, environmental monitoring, and countermeasures, as designated in the Medical Requirements Integration Documents. Ongoing communication with the participating collaborators is maintained to ensure that the message and story of the data are retained as data are translated into information and visual data presentations are delivered in different venues and to different audiences. RESULTS We will describe the importance of storytelling through an integrated model and of subsequent data visualizations in today's scientific presentations and discuss the collaborative methods used. We will illustrate the discussion with examples of graphs from BDRA's past work supporting operations and/or research efforts.

Babiak-Vazquez, A.↗
DOE OSTI2022

Computational Workflow for Accelerated Molecular Design Using Quantum Chemical Simulations and Deep Learning Models

Efficient methods for searching the chemical space of molecular compounds are needed to automate and accelerate the design of new functional molecules such as pharmaceuticals. Given the high cost in both resources and time for experimental efforts, computational approaches play a key role in guiding the selection of promising molecules for further investigation. Here, we construct a workflow to accelerate design by combining approximate quantum chemical methods [i.e. density-functional tight-binding (DFTB)], a graph convolutional neural network (GCNN) surrogate model for chemical property prediction, and a masked language model (MLM) for molecule generation. Property data from the DFTB calculations are used to train the surrogate model; the surrogate model is used to score candidates generated by the MLM. The surrogate reduces computation time by orders of magnitude compared to the DFTB calculations, enabling an increased search of chemical space. Furthermore, the MLM generates a diverse set of chemical modifications based on pre-training from a large compound library. We utilize the workflow to search for near-infrared photoactive molecules by minimizing the predicted HOMO-LUMO gap as the target property. Our results show that the workflow can generate optimized molecules outside of the original training set, which suggests that iterations of the workflow could be useful for searching vast chemical spaces in a wide range of design problems.

Blanchard, Andrew↗
NASA NTRS2003

Analysis of ETMS Data Quality for Traffic Flow Management Decisions

The data needed for air traffic flow management decision support tools is provided by the Enhanced Traffic Management System (ETMS). This includes both the tools that are in current use and the ones being developed for future deployment. Since the quality of decision support provided by all these tools will be influenced by the quality of the input ETMS data, an assessment of ETMS data quality is needed. Motivated by this desire, ETMS data quality is examined in this paper in terms of the unavailability of flight plans, deviation from the filed flight plans, departure delays, altitude errors and track data drops. Although many of these data quality issues are not new, little is known about their extent. A goal of this paper is to document the magnitude of data quality issues supported by numerical analysis of ETMS data. Guided by this goal, ETMS data for a 24-hour period were processed to determine the number of aircraft with missing flight plan messages at any given instant of time. Results are presented for aircraft above 18,000 feet altitude and also at all altitudes. Since deviation from filed flight plan is also a major cause of trajectory-modeling errors, statistics of deviations are presented. Errors in proposed departure times and ETMS-generated vertical profiles are also shown. A method for conditioning the vertical profiles for improving demand prediction accuracy is described. Graphs of actual sector counts obtained using these vertical profiles are compared with those obtained using the Host data for sectors in the Fort Worth Center to demonstrate the benefit of preprocessing. Finally, results are presented to quantify the extent of data drops. A method for propagating track positions during ETMS data drops is also described.

Chatterji, Gano B.↗
DOE OSTI2024

Virtual node graph neural network for full phonon prediction

Understanding the structure-property relationship is crucial for designing materials with desired properties. The past few years have witnessed remarkable progress in machine-learning methods for this connection. However, substantial challenges remain, including the generalizability of models and prediction of properties with materials-dependent output dimensions. Here we present the virtual node graph neural network to address the challenges. By developing three virtual node approaches, we achieve Γ-phonon spectra and full phonon dispersion prediction from atomic coordinates. We show that, compared with the machine-learning interatomic potentials, our approach achieves orders-of-magnitude-higher efficiency with comparable to better accuracy. This allows us to generate databases for Γ-phonon containing over 146,000 materials and phonon band structures of zeolites. Additionally, our work provides an avenue for rapid and high-quality prediction of phonon band structures enabling materials design with desired phonon properties. The virtual node method also provides a generic method for machine-learning design with a high level of flexibility. In this study, the authors present a virtual node graph neural network to enable the prediction of material properties with variable output dimensions. This method offers fast and accurate predictions of phonon band structures in complex solids.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Regularization via f -Divergence: An Application to Multi-Oxide Spectroscopic Analysis

In this paper, we explore the application of convolutional neural networks (CNNs) for predicting the chemical composition of complex geologic samples in a simulated Martian atmospheric environment. Specifically, we aim to characterize oxide weight percentages (wt.%) of rock samples analyzed by remote Laser-Induced Breakdown Spectroscopy (LIBS), framing the problem as a multi-target regression task . Neural networks trained on LIBS spectra are prone to overfitting due to high spectral complexity, limited labeled data, and measurement noise. While regularization is critical for improving generalization, common methods (e.g., ℓ 2 regularization) impose constraints not directly tied to data distribution properties. We propose a novel regularization method based on a specific ƒ-divergence induced by a graph-based estimator, designed to constrain the distributional discrepancy between predictions and targets. This regularizer serves a dual purpose: (a) mitigating overfitting by enforcing a constraint on the distributional difference between predictions and noisy targets, and (b) acting as an auxiliary loss that penalizes large divergences. To enable backpropagation, we develop a differentiable approximation of this particular ƒ-divergence, making the method feasible for neural networks. Experiments on ChemCam and SuperCam LIBS calibration spectra show that mathematical equation-divergence regularization outperforms or matches standard regularization methods (ℓ 1 , ℓ 2 , dropout) and the classical baseline, partial least squares (PLS). Combining ƒ-divergence regularization with standard regularization yields further performance gains, indicating that distributional regularization is useful in this context giving a promising direction for robust model training in planetary science applications. Source code is publicly available at Klein and Li (2025), https://doi.org/10.11578/dc.20250530.7.

58 GEOSCIENCES↗
DOE OSTI2019

Surrogate Models for Estimating Failure in Brittle and Quasi-Brittle Materials

In brittle fracture applications, failure paths, regions where the failure occurs and damage statistics, are some of the key quantities of interest (QoI). High-fidelity models for brittle failure that accurately predict these QoI exist but are highly computationally intensive, making them infeasible to incorporate in upscaling and uncertainty quantification frameworks. The goal of this paper is to provide a fast heuristic to reasonably estimate quantities such as failure path and damage in the process of brittle failure. Towards this goal, we first present a method to predict failure paths under tensile loading conditions and low-strain rates. The method uses a k-nearest neighbors algorithm built on fracture process zone theory, and identifies the set of all possible pre-existing cracks that are likely to join early to form a large crack. The method then identifies zone of failure and failure paths using weighted graphs algorithms. We compare these failure paths to those computed with a high-fidelity fracture mechanics model called the Hybrid Optimization Software Simulation Suite (HOSS). A probabilistic evolution model for average damage in a system is also developed that is trained using 150 HOSS simulations and tested on 40 simulations. A non-parametric approach based on confidence intervals is used to determine the damage evolution over time along the dominant failure path. For upscaling, damage is the key QoI needed as an input by the continuum models. This needs to be informed accurately by the surrogate models for calculating effective moduli at continuum-scale. We show that for the proposed average damage evolution model, the prediction accuracy on the test data is more than 90%. In terms of the computational time, the proposed models are ≈ O ( 10 6 ) times faster compared to high-fidelity fracture simulations by HOSS. These aspects make the proposed surrogate model attractive for upscaling damage from micro-scale models to continuum models. We would like to emphasize that the surrogate models are not a replacement of physical understanding of fracture propagation. The proposed method in this paper is limited to tensile loading conditions at low-strain rates. This loading condition corresponds to a dominant fracture perpendicular to tensile direction. The proposed method is not applicable for in-plane shear, out-of-plane shear, and higher strain rate loading conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Oak Ridge National Laboratory Technical Input for the Nuclear Regulatory Commission Review of the 2017 Edition of ASME Section III, Division 5, ‘High Temperature Reactors’

To assist the Nuclear Regulatory Commission in its decision making on endorsement of the American Society for Mechanical Engineers Boiler and Pressure Vessel Code Section III, Division 5 (2017 Edition) for development of advanced non-light water reactors, the following Division 5 portions were reviewed: Article HBB-2000 Material; Article HCB-2000 Material; Article HGB-2000 Material; Mandatory Appendix HBB-I-14 Tables and Figures; and, Nonmandatory Appendix HBB-U Guidelines for Restricted Material Specifications to Improve Performance in Certain Service Applications. In addition to the 2017 Edition, the same parts of the 2019 Edition have also been reviewed as indicated in various sections of the report. This review was conducted by a collaboration of national laboratory and private sector participants with significant industrial experience, including some heavy lifting and deep diving from Clarus Consulting, LLC., all intended to achieve an objective, independent, and practical perspective. The report provides recommendations, descriptions of the evaluation methods, and the source references for the data used. To build confidence required for endorsement of the Code, this review was conducted as a verification and validation of the above Code contents. The objective of verification is to ensure that the Code is free of error – direct or implied; contains the information needed for its use, including proper coverage of the Code-specified materials for the intended application, and completeness and adequacy of references to other portions of the Code. The objective of validation is to authenticate that the Code tabulations and graphs represent design inputs consistent with what are determined using rules and methods specified by the Code. The authentication process used data that were assembled and/or generated independent of Code development, while the methods of analysis followed Code-specified methods where appropriate. The designated portions for this review cover the five alloys codified for high temperature reactor applications in Division 5, i.e. 316 SS, 304 SS, 800H, 2¼Cr-1Mo, and 9Cr-1Mo-V, regarding their general requirements, permitted specifications and design stress intensity values for pressure-retaining applications, deterioration in service, fatigue acceptance test, permissible weld materials, tensile and yield strength, expected minimum stress-to-rupture values (including for Alloy 718), weld stress rupture factors, permissible materials for bolting use, and restricted specifications in certain service applications. Additionally, stress intensity values for bolting materials including 316 SS, 304 SS and alloy 718 were reviewed. Analysis and discussion are also provided on contents outside of these designated Code portions where it was deemed relevant and necessary to develop a technically sound understanding of issues relating to the designated portions. Due to unavailability of sufficient test data on welds during the review period, the weld stress rupture factors in Tables HBB-I-10.14A to E, which cover a total of ten tables for the five alloys welded with twenty-eight different weld metals (some with similar properties), have been deferred to a future review effort. The review identified mainly two types of issues. The first type includes instances where the Code is found factually incomplete or incorrect, such as obsolete materials specifications listings, missing tabulation of stresses for bolting. Changes to the Code are recommended in these cases. The second type of issue includes instances where the Code tabulations and graphs are found to be less conservative than the review analysis results. In these cases, recommendations are made for further review and consideration where the difference in conservatism exceeds 10%, which is our threshold for questioning technical adequacy, meriting a risk assessment by the Nuclear Regulatory Commission and/or reactor designers. It is noted that this effort has been executed using all available data and established methods of analysis, including methods and criteria specified and used by the Code. As such, the findings that are presented in quantitative detail, in a format for convenient comparison with the Code, and with identification of where further review is recommended, should provide a sound technical basis for decisions about quantifying the implications of the reduced design margins and technical adequacy/inadequacy to form a basis for conditioning specific Code tabulation values on endorsement. Recommendations for specific changes to the Code, however, entail design conservatism considerations beyond the scope of this review effort, and are not made in this report.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗