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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 703 records · Page 39
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↗
DOE OSTI2022

Measuring He i Stark Line Shapes in the Laboratory to Examine Differences in Photometric and Spectroscopic DB White Dwarf Masses

Abstract Accurate helium White Dwarf (DB) masses are critical for understanding the star’s evolution. DB masses derived from the spectroscopic and photometric methods are inconsistent. Photometric masses agree better with currently accepted DB evolutionary theories and are mostly consistent across a large range of surface temperatures. Spectroscopic masses rely on untested He i Stark line-shape and Van der Waals broadening predictions, show unexpected surface temperature trends, and are thus viewed as less reliable. To test this conclusion, we present in this paper detailed He i Stark line-shape measurements at conditions relevant to DB atmospheres ( T electron ≈12,000–17,000 K, n electron ≈ 10 17 cm −3 ). We use X-rays from Sandia National Laboratories’ Z -machine to create a uniform ≈120 mm long hydrogen–helium mixture plasma. Van der Waals broadening is negligible at our experimental conditions, allowing us to measure He i Stark profiles only. H β , which has been well-studied in our platform and elsewhere, serves as the n e diagnostic. We find that He i Stark broadening models used in DB analyses are accurate within errors at tested conditions. It therefore seems unlikely that line-shape models are solely responsible for the observed spectroscopic mass trends. Our results should motivate the WD community to further scrutinize the validity of other spectroscopic and photometric input parameters, like atmospheric structure assumptions and convection corrections. These parameters can significantly change the derived DB mass. Identifying potential weaknesses in any input parameters could further our understanding of DBs, help elucidate their evolutionary origins, and strengthen confidence in both spectroscopic and photometric masses.

Schaeuble, M. -A. (ORCID:0000000188695203)↗
NASA NTRS1990

DFW microburst model based on AA-539 data

Analysis of the August 2, 1985 crash for an L-1011 jumbo jet (DL-191) on approach to the Dallas-Ft. Worth International Airport (DFW) in a thunderstorm indicates that the severe windshear microburst that caused the crash was composed not only of a strong downflow and outflow but also included several large-scale vortex rings entrained in the flowfield. This paper presents a detailed two-dimensional model of the DFW microburst based on data from the MD-80 (AA-539) that followed behind DL-191 and flew through the microburst about two minutes after the crash of DL-191. The model was developed using wind-vector and flight-path data reconstructed by NASA Ames Research Center and a combination of interactive graphics and least-squares error best fit between the modeled and measured wind vectors along the AA-539 flight path. The model indicates that the flowfield contains some significant elements and vortices not previously reported. The alternating direction of rotation of the vortices in the model suggests a microburst structure based on a von Karman vortex street rather than on a Kelvin-Helmholtz instability. The model also indicates that the reconstructed wind-vector data contain a time lag of at least one second in the horizontal winds.

Grantham, Walter J.↗
NASA NTRS1992

Robust dynamic inversion control laws for aircraft control

Dynamic inversion is a technique for control law design in which feedback is used to simultaneously cancel system dynamics and achieve desired dynamic response characteristics. However, dynamic inversion control laws lack robustness to modeling errors if improperly designed. This paper examines a simple linear example, control of roll rate about the body axis of high performance aircraft, to illustrate some robustness problems which may occur with a simple dynamic inversion control law. The paper demonstrates how structured singular value synthesis techniques can be used to enhance the robustness properties of the dynamic inversion controller.

Balas, Gary J.↗
DOE OSTI2018

Study on neutronics calculation method of SCWR with annular fuel assembly - 26804

Many Supercritical Water Reactor designs have been proposed all over the world. Annular fuel was employed in SCWR by Xi'an JiaoTong University to achieve lower fuel center temperature and lower cladding surface temperature. Different analysis codes have been developed for these designs. In this article, a neutronics calculation code for SCWR with annular fuel is developed. This code is compared with Monte-Carlo code doing both assembly and core calculation. The results showed that the spectra difference of PWRs and SCWRs is the main reason for assembly calculation errors and conventional assembly homogenization method is not suitable for SCWRs. Thus the group-collapsing and spatial-averaging method were studied to improve the accuracy. The few-group structure which contains 14 energy groups is used. The 'super-assembly' model is employed to consider effect of reflector. The results showed that the accuracy of effective multiplication factor and radial power was improved. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Angular systematics-free cosmological analysis of galaxy clustering in configuration space

ABSTRACT Galaxy redshift surveys are subject to incompleteness and inhomogeneous sampling due to the various constraints inherent to spectroscopic observations. This can introduce systematic errors on the summary statistics of interest, which need to be mitigated in cosmological analysis to achieve high accuracy. Standard practices involve applying weighting schemes based on completeness estimates across the survey footprint, possibly supplemented with additional weighting schemes accounting for density-dependent effects. In this work, we concentrate on pure angular systematics and describe an alternative approach consisting in analysing the galaxy two-point correlation function where angular modes are nulled. By construction, this procedure removes all possible known and unknown sources of angular observational systematics, but also part of the cosmological signal. We use a modified Landy–Szalay estimator for the two-point correlation function that relies on an additional random catalogue where angular positions are randomly drawn from the galaxy catalogue, and provide an analytical model to describe this modified statistic. We test the model by performing an analysis of the full anisotropic clustering in mock catalogues of luminous red and emission-line galaxies at 0.43 < z < 1.1. We find that the model fully accounts for the modified correlation function in redshift space, without introducing new nuisance parameters. The derived cosmological parameters from the analysis of baryon acoustic oscillations and redshift-space distortions display slightly larger statistical uncertainties, mostly for the growth rate of structure parameter fσ8 that exhibits a $50{{\ \rm per\ cent}}$ statistical error increase, but free from angular systematic error.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Two-dimensional retrieval methods for ultrafast imaging of molecular structure using laser-induced electron diffraction

Molecular structural retrieval based on electron diffraction has been proposed to determine the atomic positions of molecules with sub-angstrom spatial and femtosecond temporal resolutions. Given its success on small molecular systems, in this work, we point out that the accuracy of structure retrieval is constrained by the availability of a wide range of experimental data in the momentum space in all molecular systems. To mitigate the limitations, for laser-induced electron diffraction, here we retrieve molecular structures using two-dimensional (energy and angle) electron momentum spectra in the laboratory frame for a number of small molecular systems, which have previously been studied with 1D methods. Compared to the conventional single-energy or single-angle analysis, our 2D methods effectively expand the momentum range of the measured data. Besides utilization of the 2D data, two complementary methods are developed for consistency check on the retrieved results. Further, the 2D nature of our methods also offers a way of estimating the error from retrieval, which has never been explored before. Comparing with results from prior experiments, our findings show evidence that our 2D methods outperform the conventional 1D methods. Paving the way to the retrieval of large molecular systems, in which their tunneling ionization rates are challenging to obtain, we estimate the error of using the isotropic model in place of including the orientation-dependent ionization rate.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1998

High Performance, Robust Control of Flexible Space Structures: MSFC Center Director's Discretionary Fund

Many spacecraft systems have ambitious objectives that place stringent requirements on control systems. Achievable performance is often limited because of difficulty of obtaining accurate models for flexible space structures. To achieve sufficiently high performance to accomplish mission objectives may require the ability to refine the control design model based on closed-loop test data and tune the controller based on the refined model. A control system design procedure is developed based on mixed H2/H(infinity) optimization to synthesize a set of controllers explicitly trading between nominal performance and robust stability. A homotopy algorithm is presented which generates a trajectory of gains that may be implemented to determine maximum achievable performance for a given model error bound. Examples show that a better balance between robustness and performance is obtained using the mixed H2/H(infinity) design method than either H2 or mu-synthesis control design. A second contribution is a new procedure for closed-loop system identification which refines parameters of a control design model in a canonical realization. Examples demonstrate convergence of the parameter estimation and improved performance realized by using the refined model for controller redesign. These developments result in an effective mechanism for achieving high-performance control of flexible space structures.

Whorton, M. S.↗
DOE OSTI2025

Quantifying and simulating the weather forecast uncertainty for advanced building control

Weather forecast uncertainty is unavoidable despite technological advancements. Accurately quantifying and modelling this uncertainty is essential for developing and comparing advanced building controllers. In this study, we present a structured approach using a first-order autoregressive model (AR(1)) to model uncertainty in ambient temperature and global solar irradiation (GHI) forecasts. We analyzed weather data from four cities and employed Jensen–Shannon divergence (JSD) to evaluate the similarity between synthetic and actual forecast errors. The average JSD values for temperature are 0.027 (Berkeley), 0.021 (Leuven), 0.018 (Berlin), and 0.008 (Oslo), and for GHI, the average JSD values are 0.016 (Berkeley), 0.058 (Leuven), and 0.013 (Berlin). The low JSD values indicate a high similarity between the synthetic and real forecast error distributions. Further, our approach successfully generates synthetic weather forecasts that mirror the statistical properties of actual forecasts. The implementation of our method for uncertain forecast generation is being added to the BOPTEST framework.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Computationally Guided and Experimentally Validated Design of Custom Chelators for Critical Mineral Recovery

Selective, high throughput separation of target critical metals from complex environments such as fly ash leachates and mining process streams presents a significant challenge for economical production. Custom chelators and sorbents are an attractive technology for selective metal extraction, however it can be difficult to predict their performance, and significant experimental efforts are often required to develop chelating technologies. Here, we present a computational strategy focused on modelling chelator-metal binding interactions and benchmark these results versus experimental data. A computational pipeline combining forcefield, semiempirical, and meta-GGA methods with a thermodynamic framework optimized for error cancellation has been developed to predict binding energies of chelator complexes towards critical mineral recovery applications. This approach, originally validated on [2.2.2] cryptates binding mono- and divalent cations, demonstrated robust predictive capabilities with an R2 of 0.850 against experimental aqueous binding energies. The workflow includes metadynamics for exploring high-dimensional potential energy surfaces and a cluster-continuum model for accurate yet computationally efficient solvation modeling. Error cancellation between solvation energies of free and chelator-coordinated ions enables faster convergence, even with finite cluster sizes. Initial studies on the cryptates revealed consistent metal-ligand coordination patterns, with systematic variations influenced by ion size and charge, highlighting key structural features linked to binding selectivity. Further studies of a proprietary chelator have resulted in identification of previously unreported selectivity towards economically significant metals, which in-house experiments have confirmed, demonstrating the feasibility of this approach. By applying this methodology to new chelators targeting critical minerals such as lithium, cobalt, nickel and other strategic metals, we aim to accelerate the discovery of next-generation chelators for efficient recovery, recycling, and separation processes. This computational framework serves as the backbone of a high-throughput design pipeline tailored for sustainable resource utilization and may be applied to a wide range of systems to meet experimental needs.

computational materials↗
NASA NTRS1977

The mean magnetic field of the sun: Observations at Stanford

A solar telescope was built at Stanford University to study the organization and evolution of large-scale solar magnetic fields and velocities. The observations are made using a Babcock-type magnetograph which is connected to a 22.9 m vertical Littrow spectrograph. Sun-as-a-star integrated light measurements of the mean solar magnetic field were made daily since May 1975. The typical mean field magnitude is about 0.15 gauss with typical measurement error less than 0.05 gauss. The mean field polarity pattern is essentially identical to the interplanetary magnetic field sector structure (seen near the earth with a 4 day lag). The differences in the observed structures can be understood in terms of a warped current sheet model.

Scherrer, P. H.↗
NASA NTRS1983

LANDSAT-D investigations in snow hydrology

Thematic mapper data for the southern Sierra Nevada area were registered to digital topographic data and compared to LANDSAT MSS and NOAA-7 AVHRR data of snow covered areas in order to determine the errors associated with using coarser resolution and to qualify the information lost when high resolution data are not available. Both the zenith and the azimuth variations in the radiative field are considered in an atmospheric radiative transfer model which deals with a plane parallel structured atmosphere composed of different layers, each assumed to be homogeneous in composition and to have a linear in tau temperature profile. Astronomical parameters for each layer are Earth-Sun distance and solar flux at the top of the atmosphere. Atmospheric parameters include pressure temperature, chemical composition of the air molecules, and the composition and size of the aerosol, water droplets, and ice crystals. Outputs of the model are the monochromatic radiance and irradiance at each level. The use of the model in atmospheric correction of remotely sensed data is discussed.

Dozier, J.↗
NASA NTRS1984

Research Relative to High Spatial Resolution Passive Microwave Sounding Systems

Methods to obtain high resolution passive microwave weather observations, and understanding of their probable impact on numerical weather prediction accuracy were investigated. The development of synthetic aperture concepts for geosynchronous passive microwave sounders were studied. The effects of clouds, precipitation, surface phenomena, and atmospheric thermal fine structure on a scale of several kilometers were examined. High resolution passive microwave sounders (e.g., AMSU) with an increased number of channels will produce initialization data for numerical weather prediction (NWP) models with both increased spatial resolution and coverage. The development of statistical models for error growth in high resolution primitive equation NWP models which permit the consequences of various observing system alternatives, including sensors and assimilation times and procedures is discussed. A high resolution three dimensional primitive equation NWP model to determine parameters in an error growth model similar to that formulated by Lorenz, but with more degrees of freedom is utilized.

Staelin, D. H.↗
NASA NTRS1992

Submillimeter horizontal position determination using very long baseline interferometry

An analysis of interferometric phase delays from 15 years of Mark I and Mark III very long baseline interferometry (VLBI) experiments carried out with two radio telescopes in Westford, Massachusetts, about 1.24 km apart, yields weighted root-mean-square (WRMS) scatters about the mean locally horizontal coordinates of 1.0 and 2.0 mm in the north and east directions, respectively. It is concluded that VLBI antennas of at least of the structural quality of the pair in Westford satisfy a necessary but not sufficient condition for being able to maintain a global reference system with submillimeter per year accuracy for intervals in excess of a decade. These data are also used to determine an error model for the VLBI group delay measurements, and, for this particular pair of telescopes, they indicate that the WRMS difference between group and phase delays is composed of a constant part (5.4 mm, for the most recent data) and a SNR term which is about 10 percent larger than that computed theoretically.

Herring, T. A.↗
NASA NTRSDate not supplied

Multiscale Mesh Adaptation for Transonic Aeroelastic Flutter Problems

This work applies multiscale mesh adaptation with refine to reduce spatial discretization error of aeroelastic computational fluid dynamics (CFD) simulations. Benchmark flutter models, such as the pitch and plunge NACA64A-010 airfoil and the benchmark supercritical wing, are studied with both a linearized frequency-domain solver and time-marching CFD coupled to a modal structural solver in FUN3D. The undeformed NASA Common Research Model (CRM), an aeroelastic jig shape variant of the CRM, is also studied with the linearized frequency-domain approach. For these cases, the adaptation process converges to comparable flutter predictions to hand-generated meshes but with smaller node counts. However the additional disciplines of the linearized frequency-domain analysis, the mesh deformation, and the unsteady finite-volume solver create robustness challenges that need to be addressed before it can be applied as a fully automated process for complex transonic aeroelastic problems. In particular, negative volumes are observed to be an issue for FUN3D’s linear elasticity mesh deformation solver when moving the adapted meshes.

Aeroelasticity↗
NASA NTRS1999

Synoptic Mapping of Chemical Composition, Thermal Structure, and Air Motion from UARS Observations

An operational mapping algorithm was developed to process measurements of individual species observed by different satellite instruments on board UARS. Based on Fast Fourier Synoptic Mapping (FFSM), the algorithm accounts for the precessing orbit of UARS, the error of individual instruments, and gaps associated with instrument duty cycle and the satellite yaw maneuver. It provides synoptic structure and evolution on periods as short as 1 day, derived collectively from all observations of an individual species. The algorithm was applied to synoptically map temperature, thickness, and several chemical constituents observed by the instruments: MLS, CLAES, ISAMS, and HALOE. Each field variable observed by these instruments was mapped twice-daily in continuous global time series several months long. Mapped behavior produced via FFSM was compared against standard archived products generated via Kalman filtering. The standard map products reveal similar behavior, but are limited to features of larger scale. Tracer structure that develops through flow deformation and attending transport is therefore represented in those products more coarsely, eventually being sheared down to scales that are no longer represented properly. The synoptic time series also reveal a diurnal cycle for several of the constituents, one that emerges clearly in their space-time spectra. The zonal and meridional structure of diurnal variability was mapped by filtering the space-time spectrum, an intermediate product of FFSM, to those scales resolved by the UARS sampling. Geographical variations of the diurnal cycle have also been evaluated in its seasonal-mean structure by compositing distributions at individual local times. Both were compared to diurnal variations in chemical models and in dynamical models that account for transport by the diurnal tide. Diurnal variations were found to introduce spurious behavior into the archived products generated via Kalman filtering, behavior that is misrepresented in those synoptic time series. Aliasing by under-sampled diurnal variations introduces a bias into the time-mean structure of archived products. That systematic error is manifested as anomalous wave structure in the time-mean fields. By contrast, synoptic time series generated via FFSM faithfully represent such behavior as varying diurnally, so it does not corrupt time-mean structure. Tracer structure mapped via the above algorithm was being applied to determine the Brewer-Dobson circulation of the stratosphere through Lagrangian considerations. Preliminary results are encouraging: They reveal diabatic ascent in the tropics, balanced by diabatic descent over the winter hemisphere. This Lagrangian description of transport derived from UARS tracer measurements would be potentially valuable for diagnosing interannual changes of transport, specifically, in relation to interannual changes of total ozone. Regrettably, support was reduced to 50% of the approved funding level, leaving this component incomplete.

Salby, Murry L.↗
DOE OSTI2020

Predicting Device Parameters for Dye-Sensitized Solar Cells from Electronic Structure Calculations to Reproduce Experiment.

Given that improvements to the power-conversion efficiency (PCE) of dye-sensitized solar cells (DSSCs) have slowed in recent years, a means to accurately predict the device parameters yielded by trial dyes in silico, without having to synthesize them, would be extremely valuable to speed up the design process. Currently, the best-performing methods of calculating device parameters rely on a set of experimentally determined kinetic coefficients. In practice, it is very difficult to measure these kinetic parameters accurately, limiting the overall accuracy of such predictive methods. This work proposes a model to obtain key parameters such as J(SC), V-OC, and PCE using only the results from density functional theory (DFT) and time-dependent DFT calculations, noting that rates of electron-transfer steps are ultimately linked to the electronic structure of the dye center dot center dot center dot TiO2 working electrode. Six organic DSSC dyes from dissimilar chemical classes (L0, L1, L2, WS-2, WS-92, and C281) were chosen to demonstrate the power of this approach. Their a priori known experimentally determined device performance metrics served to validate our predictions. The greatest absolute error in our predicted PCE values was 0.36% relative to the experiment, while the greatest fractional error was 0.042. This indicates that the proposed model offers a dramatic improvement on previous predictive methods for DSSC device parameters, both in accuracy and in consistency. Moreover, such a predictive model has great potential to be applied to other photovoltaic applications, further enabling the design of novel, highly efficient photoactive materials.

density functional theory↗
DOE OSTI2026

Parametric reduced order models for graded lattice structures

Graded lattice structures, characterized by smoothly varying mechanical properties, hold significant promise for optimizing material distribution in advanced engineering applications. However, accurately modeling these structures poses substantial computational challenges due to the continuous geometric variations within their unit cells. Here, to address these challenges, this paper introduces a novel Efficient Reduced Order Model (EROM) that integrates the Matrix Discrete Empirical Interpolation Method (MDEIM) and Discrete Empirical Interpolation Method (DEIM) with polynomial regression to efficiently manage geometric parametrization in lattice structures. Unlike traditional reduced order models (ROMs) that require extensive precomputed libraries for each geometric configuration, our approach enables continuous geometric variations through a flexible algebraic formulation, significantly reducing computational costs while preserving high accuracy. The method constructs projection matrices for individual unit cells that can be efficiently assembled into global systems, leveraging the repetitive nature of lattice structures. Numerical studies demonstrate that our EROM achieves displacement errors below 1% and von Mises stress prediction errors below 4%, coupled with computational speedups exceeding two orders of magnitude compared to full-order simulations. The proposed method's modularity and scalability make it particularly suitable for design optimization and real-time simulation of functionally graded lattice structures, with applications spanning aerospace to biomedical engineering.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗