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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

An Overview of Latest Model Reduction and Control Methods of Large Flexible Space Structures

The latest trends and theoretical developments involved with the modeling and control of Large Flexible Space Structures (LFSS) are described. The paper addresses first the basic problems, characteristics, and difficulties inherent in modeling and control of LFSS. Major sources of difficulties and errors are the stiffness and damping operators of the dynamic model. Extensions of Linear Quadratic Gaussian (LQG) theory as applied to LFSS are presented, including frequency-shaped cost functionals and perturbation methods. The minimum data/maximum entropy approach which uses a stochastic design model to overcome difficulties found in the LQG-based methods is described. Latest trends in system theory including balanced realization and singular-value analysis are used to determine reduced order controllers and models. Ad hoc methods such as component cost analysis and modal cost analysis are discussed in context with the closed-loop reduction problem of controller order versus performance. The minimum data/maximum entropy approach also addresses controller order versus performance. Those areas of control science and large scale systems that appear to have an important role in understanding and solving LFSS modeling and control are also identified.

Santiago, J. M.↗
NASA NTRS1985

Testing of a failure accommodation system on a highly flexible grid

This paper presents a scheme for on-line failure detection in systems with appreciable structural dynamics. The design is suboptimal because of extensive computational requirements of optimal schemes. To accomplish failure detection, the innovations sequence of a finite order Kalman filter is examined. Because of the heavy dependence of the system on the zero-mean character of the innovations sequence of the filter much attention has been given to the design and evaluation of the Kalman filters used. The filter designs are based on modal models of the structural dynamics. Two modal models were considered, one based on an analytic finite element model and the other based on empirically derived frequency and damping. Experiments using a grid structure are presented which illustrate operation and performance of the filter designs based on these models. The general character of the results presented is that appreciable errors exist in the filter design based on the finite element model. Substantial improvement results if the design model is modified to include empirically derived frequency and damping.

Montgomery, R. C.↗
DOE OSTI2024

Geometry-complete perceptron networks for 3D molecular graphs

Abstract Motivation The field of geometric deep learning has recently had a profound impact on several scientific domains such as protein structure prediction and design, leading to methodological advancements within and outside of the realm of traditional machine learning. Within this spirit, in this work, we introduce GCPNet, a new chirality-aware SE(3)-equivariant graph neural network designed for representation learning of 3D biomolecular graphs. We show that GCPNet, unlike previous representation learning methods for 3D biomolecules, is widely applicable to a variety of invariant or equivariant node-level, edge-level, and graph-level tasks on biomolecular structures while being able to (1) learn important chiral properties of 3D molecules and (2) detect external force fields. Results Across four distinct molecular-geometric tasks, we demonstrate that GCPNet’s predictions (1) for protein–ligand binding affinity achieve a statistically significant correlation of 0.608, more than 5%, greater than current state-of-the-art methods; (2) for protein structure ranking achieve statistically significant target-local and dataset-global correlations of 0.616 and 0.871, respectively; (3) for Newtownian many-body systems modeling achieve a task-averaged mean squared error less than 0.01, more than 15% better than current methods; and (4) for molecular chirality recognition achieve a state-of-the-art prediction accuracy of 98.7%, better than any other machine learning method to date. Availability and implementation The source code, data, and instructions to train new models or reproduce our results are freely available at https://github.com/BioinfoMachineLearning/GCPNet.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Can Large Language Models Understand Intermediate Representations?

Intermediate Representations (IRs) are essential in compiler design and program analysis, yet their comprehension by Large Language Models (LLMs) remains underexplored. This paper presents a pioneering empirical study to investigate the capabilities of LLMs, including GPT-4, GPT-3, Gemma 2, LLaMA 3.1, and Code Llama, in understanding IRs. We analyze their performance across four tasks: Control Flow Graph (CFG) reconstruction, decompilation, code summarization, and execution reasoning. Our results indicate that while LLMs demonstrate competence in parsing IR syntax and recognizing high-level structures, they struggle with control flow reasoning, execution semantics, and loop handling. Specifically, they often misinterpret branching instructions, omit critical IR operations, and rely on heuristic-based reasoning, leading to errors in CFG reconstruction, IR decompilation, and execution reasoning. The study underscores the necessity for IR-specific enhancements in LLMs, recommending fine-tuning on structured IR datasets and integration of explicit control flow models to augment their comprehension and handling of IR-related tasks.

Jiang, Hailong↗
DOE OSTI2024

Temporal Error Correlations in a Terrestrial Carbon Cycle Model Derived by Comparison to Carbon Dioxide Eddy Covariance Flux Tower Measurements

Abstract Atmospheric CO 2 flux inversions require as input an estimate of spatial and temporal correlations of errors in their estimate of the prior mean. Some previous studies have used the differences in CO 2 daily average flux estimates produced by terrestrial carbon cycle models and eddy covariance measurements to constrain the flux error correlations. Since inversions are starting to resolve the daily cycle, we set out to examine the correlations at sub‐daily time scales, as well as the correlations across years. To this end, we examine the autocorrelations in the difference between net ecosystem‐atmosphere exchange measurements from 75 AmeriFlux towers and temporally downscaled high‐spatial‐resolution flux estimates from the Carnegie‐Ames‐Stanford Approach (CASA) terrestrial carbon cycle model. We find that the daily cycle is prominent in these hourly autocorrelations and that these autocorrelations persist across years. We propose a family of functions to model these temporal correlations in atmospheric inversions, and use cross validation to determine which of the correlation functions best fits autocorrelation data from towers not in the training set. Correlation functions with a component that attempts to model the daily cycle in the differences match correlations from other towers better than those without. Those models that reproduce the same correlation structures at 1‐year intervals while modulating the amplitudes of the correlations between those intervals improve the fit still further.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRSDate not supplied

Root Cause Analysis of the Data Refinement Process – Medical Conditions Capability Resource Tables

The medical system for spaceflight thus far has been designed to support missions in low earth orbit (LEO). Crew capabilities are limited and heavily dependent on the team of medical support staff at Mission Control Center (MCC) to guide diagnosis and management. However, missions to the Moon and Mars will suffer from several constraints that will make this ground support focused approach to care ineffective. In order to update and modify medical system design, NASA has relied on Probabilistic Risk Assessment (PRA) modeling to mitigate medical risk through trade space analysis. Specifically, capability resource tables (CRT’s) were developed to create a dataset of resources required to manage a list of accepted medical conditions significant in exploration spaceflight. With 120 conditions, this dataset contained hundreds of capabilities and thousands of resources with tens of thousands of cells of data. Initially these tables were built in excel for high throughput during development, but ultimately had to be transferred, managed, and modified into the Evidence Library database for modeling purposes. The process of collating and reviewing the Evidence Library revealed numerous errors in the dataset that had to be corrected through iterative changes. Several error types emerged during this process and can be broken into specific classifications defined as “input”, “transcription”, “structural”, “branching”, and “information”. In reviewing these error types through the root cause analysis (RCA) approach, we were able to identify the contributors to these errors which included single data review points, changing product end goals, limited software selection, time constraints and several others. By reviewing and evaluating the underlying causes we can provide possible system improvements that can be implemented for current and future data management in PRA model inputs.

A. Anderson↗
DOE OSTI2020

Chemometric modeling of power conversion efficiency of organic dyes in dye sensitized solar cells for the future renewable energy

The present study reports chemometric modeling of power conversion efficiency (PCE) of dye sensitized solar cells (DSSCs) using the biggest available data set till date which comprises around 1200 dyes covering 7 chemical classes. To extract the best structural features required for higher PCE, we have developed multiple partial least squares (PLS) quantitative structure-property relationship (QSPR) models for the Triphenylamine, Phenothiazine, Indoline, Porphyrin, Coumarin, Carbazole and Diphenylamine chemical classes using descriptors derived from the best subset selection method followed by selection of best five models in each dataset based on the Mean Absolute Error (MAE) values. The models were validated both internally and externally followed by the consensus predictions employing “Intelligent Consensus Predictor” tool to examine whether the quality of predictions can be improved with the “intelligent” selection of multiple PLS models. The quality of predictions for the respective external sets showed that the consensus models (CM) are better than the individual models (IM) in most of the cases. From the insights of the developed models, we concluded that attributes like a packed structure toward higher conductivity of electrons, auxiliary donor fragment of aromatic tertiary amines, number of thiophenes inducing the bathochromic shift and augmenting the absorption, presence of additional electron donors, enhancement of electron-donating abilities, number of non-aromatic conjugated C(sp 2 ) which helps as conjugation extension units to broaden the absorption and highly conjugated $π$-systems exert positive contributions to the PCE. On the contrary, features negatively contributing to PCE are the followings: fragments which lower the tendency of localized $π–π*$ transition, fragments related to larger volume and surface area of dyes along with hydrophobicity resulting in poor adhesion, fragment RC = N causing dye hydrolysis, steric hindrance for π electronic mobility, fragments enhancing polarity, etc. Finally, the identified features from the best QSPR model of the coumarin dataset was employed in designing of ten more efficient coumarin dyes (predicted %PCE ranging from 8.93 to 10.62) than the existing ones.

14 SOLAR ENERGY↗
DOE OSTI2026

Machine learning surrogates for ion energy–angle distributions in thermal and RF plasma sheaths

Ion energy–angle distributions (IEADs) at material surfaces are a critical input for plasma–material interaction (PMI) studies in fusion devices, yet they are computationally expensive to obtain using particle-in-cell (PIC) simulations. In this work, we develop a machine learning surrogate based on a deep deconvolutional neural network (DDeCNN) trained on large databases generated with the hPIC2 code. The surrogate is capable of reconstructing IEADs from sheath parameters for both thermal and radio-frequency (RF) plasmas, including cases with multiple ion species. Across thousands of test cases, the model achieves high accuracy, with over 97 % of predictions classified as good or average based on standard error metrics (MAE, MSE, L2). Even in the more challenging RF and multi-species regimes, the surrogate reliably captures the multi-peak structure of PIC results. Once trained, the surrogate produces IEADs in milliseconds on a common workstation, yielding speedups of six to seven orders of magnitude compared with running a full PIC simulation. This computational gain enables dense parameter scans and direct coupling of IEAD predictions with PMI and erosion models on whole-device scales in fusion-relevant conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

SAXS Assistant: Automated SAXS analysis for structural discovery in biologics and polymeric nanoparticles

Small-angle x-ray scattering (SAXS) is a powerful technique for assessing macromolecular structure. High-throughput SAXS is limited by the time-consuming and, at times, subjective nature of SAXS data interpretation. Here, we present SAXS Assistant, a Python-based script that streamlines SAXS data analysis to extract features for machine learning (ML) and key structural parameters, including the Guinier radius of gyration (R g ), pair distance distribution function (PDDF)-derived R g , maximum particle dimension (D max ), and Kratky plots. The script builds upon BioXTAS RAW and validates reliability via Guinier/PDDF R g agreement, an important indicator of well-measured data sets. For assistance in D max estimation, a multilayer perceptron regressor was trained with 1940 data files from the Small Angle Scattering Biological Data Bank. The model achieved a test set performance R 2 = 0.90 and mean absolute error = 11.7 Å. Training exclusively with experimental data translates analyses from researchers, including experts in the field, to the ML model, which helps assess D max estimations from PDDF. Gaussian mixture model clustering was implemented to classify profiles into structural classes based on entries in the Small Angle Scattering Biological Data Bank. Users may therefore assess the similarity between experimental samples and known biomolecular shapes within the mapped repository entries. This probabilistic clustering aids in quantifying information from Kratky and generating shape-descriptive features. SAXS Assistant accelerates SAXS data analysis through enforced quality control, ML-ready outputs, and flags for low-confidence results. In addition to providing the ability to analyze large data sets at high throughput, this tool is versatile and may serve researchers in both biological and synthetic polymer research fields.

36 MATERIALS SCIENCE↗
NASA NTRS2017

A Remote Sensing-Based Tool for Assessing Rainfall-Driven Hazards

RainyDay is a Python-based platform that couples rainfall remote sensing data with Stochastic Storm Transposition (SST) for modeling rainfall-driven hazards such as floods and landslides. SST effectively lengthens the extreme rainfall record through temporal resampling and spatial transposition of observed storms from the surrounding region to create many extreme rainfall scenarios. Intensity-Duration-Frequency (IDF) curves are often used for hazard modeling but require long records to describe the distribution of rainfall depth and duration and do not provide information regarding rainfall space-time structure, limiting their usefulness to small scales. In contrast, Rainy Day can be used for many hazard applications with 1-2 decades of data, and output rainfall scenarios incorporate detailed space-time structure from remote sensing. Thanks to global satellite coverage, Rainy Day can be used in inaccessible areas and developing countries lacking ground measurements, though results are impacted by remote sensing errors. Rainy Day can be useful for hazard modeling under nonstationary conditions.

Daniel B Wright↗
NASA NTRS1986

Decentralized control experiments on NASA's flexible grid

Methods arising from the area of decentralized control are emerging for analysis and control synthesis for large flexible structures. In this paper the control strategy involves a decentralized model reference adaptive approach using a variable structure control. Local models are formulated based on desired damping and response time in a model-following scheme for various modal configurations. Variable structure controllers are then designed employing co-located angular rate and position feedback. In this scheme local control forces the system to move on a local sliding mode in some local error space. An important feature of this approach is that the local subsystem is made insensitive to dynamical interactions with other subsystems once the sliding surface is reached. Experiments based on the above have been performed for NASA's flexible grid experimental apparatus. The grid is designed to admit appreciable low-frequency structural dynamics, and allows for implementation of distributed computing components, inertial sensors, and actuation devices. A finite-element analysis of the grid provides the model for control system design and simulation; results of several simulations are reported on here, and a discussion of application experiments on the apparatus is presented.

Ozguner, U.↗
NASA NTRS1979

The calculation of spacecraft potential: Comparison between theory and observation

A simple charge balance model based on the work of DeForest was adapted for the calculation of spacecraft potentials. The model was calibrated with ATS 5 plasma data. Once calibrated, the model was used to calculate the time-varying potential that was observed as a spacecraft passes in and out of eclipse. Errors on the order of + or - 800 volts were observed over a range of 0 to -10,000 volts. Possible applications of the model to large space structures are discussed.

Garrett, H. B.↗
NASA NTRS1982

A fast hidden line algorithm for plotting finite element models

Effective plotting of finite element models requires the use of fast hidden line plot techniques that provide interactive response. A high speed hidden line technique was developed to facilitate the plotting of NASTRAN finite element models. Based on testing using 14 different models, the new hidden line algorithm (JONES-D) appears to be very fast: its speed equals that for normal (all lines visible) plotting and when compared to other existing methods it appears to be substantially faster. It also appears to be very reliable: no plot errors were observed using the new method to plot NASTRAN models. The new algorithm was made part of the NPLOT NASTRAN plot package and was used by structural analysts for normal production tasks.

Jones, G. K.↗
NASA NTRS1992

Design and experimental validation of a flutter suppression controller for the active flexible wing

The synthesis and experimental validation of an active flutter suppression controller for the Active Flexible Wing wind tunnel model is presented. The design is accomplished with traditional root locus and Nyquist methods using interactive computer graphics tools and extensive simulation based analysis. The design approach uses a fundamental understanding of the flutter mechanism to formulate a simple controller structure to meet stringent design specifications. Experimentally, the flutter suppression controller succeeded in simultaneous suppression of two flutter modes, significantly increasing the flutter dynamic pressure despite modeling errors in predicted flutter dynamic pressure and flutter frequency. The flutter suppression controller was also successfully operated in combination with another controller to perform flutter suppression during rapid rolling maneuvers.

Waszak, Martin R.↗
NASA NTRS1994

Anticipatory Neurofuzzy Control

Technique of feedback control, called "anticipatory neurofuzzy control," developed for use in controlling flexible structures and other dynamic systems for which mathematical models of dynamics poorly known or unknown. Superior ability to act during operation to compensate for, and adapt to, errors in mathematical model of dynamics, changes in dynamics, and noise. Also offers advantage of reduced computing time. Hybrid of two older fuzzy-logic control techniques: standard fuzzy control and predictive fuzzy control.

Mccullough, Claire L.↗
NASA NTRS1998

Annual Research Briefs, 1998

The topics contained in this progress report are direct numerical simulation of turbulent non-premixed combustion with realistic chemistry; LES of non-premixed turbulent reacting flows with conditional source term estimation; measurements of the three-dimensional scalar dissipation rate in gas-phase planar turbulent jets; direct simulation of a jet diffusion flame; on the use of interpolating wavelets in the direct numerical simulation of combustion; on the use of a dynamically adaptive wavelet collocation algorithm in DNS (direct numerical simulation) of non-premixed turbulent combustion; 2D simulations of Hall thrusters; computation of trailing-edge noise at low mach number using LES and acoustic analogy; weakly nonlinear modeling of the early stages of bypass transition; interactions between freestream turbulence and boundary layers; interfaces at the outer boundaries of turbulent motions; largest scales of turbulent wall flows; the instability of streaks in near-wall turbulence; an implementation of the v(sup 2) - f model with application to transonic flows; heat transfer predictions in cavities; a structure-based model with stropholysis effects; modeling a confined swirling coaxial jet; subgrid-scale models based on incremental unknowns for large eddy simulations; subgrid scale modeling taking the numerical error into consideration; towards a near-wall model for LES of a separated diffuser flow; on the feasibility of merging LES with RANS (Reynolds Averaging Numerical simulation) for the near-wall region of attached turbulent flows; large-eddy simulation of a separated boundary layer; numerical study of a channel flow with variable properties; on the construction of high order finite difference schemes on non-uniform meshes with good conservation properties; development of immersed boundary methods for complex geometries; and particle methods for micro and macroscale flow simulations.

Spinks, Debra↗
NASA NTRS1998

Current Limitations on VLBI Accuracy

The contribution of VLBI to geophysics and geodesy arises from its ability to measure distances between stations in a network and to determine the orientation of stations in the network as well as the orientation of the network with respect to the external reference frame of extragalactic radio objects. Integrating nearly two decades of observations provides useful information about station positions and velocities and the orientation of the Earth, but the complications of the real world and the limitations of observing, modeling and analysis prevent recovery of all effects. Of the factors that limit the accuracy of seemingly straightforward geodetic parameters, the neutral propagation medium has been subject to the greatest scrutiny, but the treatment of the mapping function, the wet component and spatial/temporal inhomogeneities is still improving. These affect both the terrestrial scale and consistency over time. The modeling of non-secular site motions (tides and loading) has increased in sophistication, but there are some differences between the models and the observations. VLBI antennas are massive objects, so their behavior is quite unlike GPS monuments, but antenna deformations add some (generally) unmodeled signal. Radio sources used in geodetic VLBI observations are selected for strength and (relative) absence of structure, but apparent changes in position can leak into geodetic parameters. A linear rate of change of baseline or site parameters is the simplest model and its error improves with time span. However, in most cases the VLBI data distribution is insufficient to look for real non-linear behavior that might affect the average rate. A few sites have multiple VLBI antennas, and some show small differences in rate. VLBI intrinsically measures relative positions and velocities, but individual site positions and velocities are generally more useful. The creation of the VLBI terrestrial reference frame, which transforms relative information into individual results, is an empirical process that has intrinsic errors. While UT1 is uniquely measured by VLBI, the geographical distribution and availability of VLBI stations, especially in the southern hemisphere, and the consistency of the VLBI terrestrial reference frame may limit the accuracy of Earth orientation measurements. The effects of particular error sources on geodetic and geophysical parameters derived from VLBI data will be illustrated.

Ma, Chopo↗
NASA NTRS2003

Modeling Aircraft Wing Loads from Flight Data Using Neural Networks

Neural networks were used to model wing bending-moment loads, torsion loads, and control surface hinge-moments of the Active Aeroelastic Wing (AAW) aircraft. Accurate loads models are required for the development of control laws designed to increase roll performance through wing twist while not exceeding load limits. Inputs to the model include aircraft rates, accelerations, and control surface positions. Neural networks were chosen to model aircraft loads because they can account for uncharacterized nonlinear effects while retaining the capability to generalize. The accuracy of the neural network models was improved by first developing linear loads models to use as starting points for network training. Neural networks were then trained with flight data for rolls, loaded reversals, wind-up-turns, and individual control surface doublets for load excitation. Generalization was improved by using gain weighting and early stopping. Results are presented for neural network loads models of four wing loads and four control surface hinge moments at Mach 0.90 and an altitude of 15,000 ft. An average model prediction error reduction of 18.6 percent was calculated for the neural network models when compared to the linear models. This paper documents the input data conditioning, input parameter selection, structure, training, and validation of the neural network models.

Allen, Michael J.↗