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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A numerical Poisson solver with improved radial solutions for a self-consistent locally scaled self-interaction correction method

Abstract The universal applicability of density functional approximations is limited by self-interaction error made by these functionals. Recently, a novel one-electron self-interaction-correction (SIC) method that uses an iso-orbital indicator to apply the SIC at each point in space by scaling the exchange-correlation and Coulomb energy densities was proposed. The locally scaled SIC (LSIC) method is exact for the one-electron densities, and unlike the well-known Perdew–Zunger SIC (PZSIC) method recovers the uniform electron gas limit of the uncorrected density functional approximation, and reduces to PZSIC method as a special case when isoorbital indicator is set to the unity. Here, we present a numerical scheme that we have adopted to evaluate the Coulomb potential of the electron density scaled by the iso-orbital indicator required for the self-consistent LSIC calculations. After analyzing the behavior of the finite difference method (FDM) and the green function solution to the radial part of the Poisson equation, we adopt a hybrid approach that uses the FDM for the Coulomb potential due to the monopole and the GF for all higher-order terms. The performance of the resultant hybrid method is assessed using a variety of systems. The results show improved accuracy than earlier numerical schemes. We also find that, even with a generic set of radial grid parameters, accurate energy differences can be obtained using a numerical Coulomb solver in standard density functional studies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Fourier domain dynamic correction method for complex optical fringes in laser spectrometers

A method is provided for Fourier domain dynamic correction of optical fringes in a laser spectrometer. The method includes Fourier transforming a background spectrum contaminated with the optical fringes to obtain baseline fringes in a frequency domain. The method includes partitioning the baseline fringes in the frequency domain to obtain partitioned baseline fringes. The method includes reconstructing the partitioned baseline fringes as separate spectra. The method includes constructing a fitting model to approximate the background spectrum by assigning a first and a second free parameter to each of partitioned baseline fringe components to respectively allow for drift and amplitude adjustments during a fitting of the fitting model. The method includes applying the fitting model to a newly acquired spectrum to provide an interpretation of the newly acquired spectrum having a reduced influence of spectral contamination on concentration retrieval.

Teng, Cheyenne↗
DOE OSTI2022

High-order accurate solutions of the point kinetics equations with the spectral deferred correction method

Solving initial value problems with higher-order methods can improve the accuracy of the simulation results or the efficiency of the calculation. In this paper, we apply the spectral deferred correction (SDC) method to solve the initial value problem of the point kinetics equations (PKE). SDC is a stable, robust, and efficient high-order time-integration method capable of an arbitrary order of accuracy. For our implementation we show that it is A-stable for orders up to 8 and the order of accuracy is verified for PKE problems with a range of different reactivities. A 5.-order SDC method was then implemented to solve the exact PKE (EPKE) in the Transient Multilevel (TML) method of MPACT. The error from solutions of the EPKE is shown to be negligible. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1994

Data pre-processing: Stratospheric aerosol perturbing effect on the remote sensing of vegetation: Correction method for the composite NDVI after the Pinatubo eruption

An operational stratospheric correction scheme used after the Mount Pinatubo (Phillipines) eruption (Jun. 1991) is presented. The stratospheric aerosol distribution is assumed to be only variable with latitude. Each 9 days the latitudinal distribution of the optical thickness is computed by inverting radiances observed in the NOAA AVHRR channel 1 (0.63 micrometers) and channel 2 (0.83 micrometers) over the Pacific Ocean. This radiance data set is used to check the validity of model used for inversion by checking consistency of the optical thickness deduced from each channel as well as optical thickness deduced from different scattering angles. Using the optical thickness profile previously computed and radiative transfer code assuming Lambertian boundary condition, each pixel of channel 1 and 2 are corrected prior to computation of NDVI (Normalized Difference Vegetation Index). Comparison between corrected, non corrected, and years prior to Pinatubo eruption (1989 to 1990) NDVI composite, shows the necessity and the accuracy of the operational correction scheme.

Vermote, E.↗
NASA NTRS1995

An Improved Ionospheric Correction Method for Wide-Area Augmentation Systems

A powerful approach for generating ionospheric corrections in wide area differential GPS applications has been developed, that can be applied to the Federal Aviation Administration's Wide Area Augmentation System (WAAS). This approach has been used to support ionospheric calibration for NASA's Deep Space Network and will be supporting real-time operations for global ionospheric specification and, possibly, single-frequency satellite altimeter calibration. It is a real-time, grid-based technique relying on a computationally efficient Kalman-type filter to produce accurate, smoothly varying ionospheric correction maps over the coverage area. Formal error maps are also computed, providing vertical delay errors over the WAAS grid, which are useful in integrity monitoring. This solution to the ionospheric correction problem is self-calibrating, since GPS transmitter inter-frequency biases are obtained as a by-product of the mapping procedure. This contrasts with other techniques in which bias values must be provided from some additional source.

Wide-Area↗
NASA NTRS2021

ACIX-Aqua: A Global Assessment of Atmospheric Correction Methods for Landsat-8 and Sentinel-2 Over Lakes, Rivers, and Coastal Waters

Atmospheric correction over inland and coastal waters is one of the major remaining challenges in aquatic remote sensing, often hindering the quantitative retrieval of biogeochemical variables and analysis of their spatial and temporal variability within aquatic environments. The Atmospheric Correction Intercomparison Exercise (ACIX-Aqua), a joint NASA – ESA activity, was initiated to enable a thorough evaluation of eight state-of-the-art atmospheric correction (AC) processors available for Landsat-8 and Sentinel-2 data processing. Over 1000 radiometric matchups from both freshwaters (rivers, lakes, reservoirs) and coastal waters were utilized to examine the quality of derived aquatic reflectances (ρ̂w). This dataset originated from two sources: Data gathered from the international scientific community (henceforth called Community Validation Database, CVD), which captured predominantly inland water observations, and the Ocean Color component of AERONET measurements (AERONET-OC), representing primarily coastal ocean environments. This volume of data permitted the evaluation of the AC processors individually (using all the matchups) and comparatively (across seven different Optical Water Types, OWTs) using common matchups. We found that the performance of the AC processors differed for CVD and AERONET-OC matchups, likely reflecting inherent variability in aquatic and atmospheric properties between the two datasets. For the former, the median errors in ρ̂w560 and ρ̂w664 were found to range from 20 to 30% for best-performing processors. Using the AERONET-OC matchups, our performance assessments showed that median errors within the 15–30% range in these spectral bands may be achieved. The largest uncertainties were associated with the blue bands (25 to 60%) for best-performing processors considering both CVD and AERONET-OC assessments. We further assessed uncertainty propagation to the downstream products such as near-surface concentration of chlorophyll-a (Chla) and Total Suspended Solids (TSS). Using satellite matchups from the CVD along with in situ Chla and TSS, we found that 20–30% uncertainties in ρ̂w490≤λ≤743nm yielded 25–70% uncertainties in derived Chla and TSS products for top-performing AC processors. We summarize our results using performance matrices guiding the satellite user community through the OWT-specific relative performance of AC processors. Our analysis stresses the need for better representation of aerosols, particularly absorbing ones, and improvements in corrections for sky- (or sun-) glint and adjacency effects, in order to achieve higher quality downstream products in freshwater and coastal ecosystems.

Nima Pahlevan↗
NASA NTRS1984

A fast viscous correction method for full-potential transonic wing analysis

An analysis of the transonic flowfield around a three-dimensional wing is carried out using a strip method. Attention is given to the boundary layer growth in the streamwise direction. A viscous correction technique is defined for the TWING code for solving the full potential equations. A viscous ramp at the base of a shock is superimposed on the boundary layer displacement thickness generated by an integral boundary layer method. A relationship is then obtained between the effective displacement thickness and a vertical component of the surface velocity, a transpirational boundary condition. The viscous correction is found to be unnecessary in weak shock conditions but gives a better shock position and pressure distribution in a strong shock condition when compared with data from an ONERA M6 airfoil and the Hinson and Burdges (1980) Wing A.

Lee, S. C.↗
NASA NTRS2012

Continental-Scale Validation of Modis-Based and LEDAPS Landsat ETM + Atmospheric Correction Methods

The potential of Landsat data processing to provide systematic continental scale products has been demonstratedby several projects including the NASA Web-enabled Landsat Data (WELD) project. The recent freeavailability of Landsat data increases the need for robust and efficient atmospheric correction algorithms applicableto large volume Landsat data sets. This paper compares the accuracy of two Landsat atmospheric correctionmethods: a MODIS-based method and the Landsat Ecosystem Disturbance Adaptive ProcessingSystem (LEDAPS) method. Both methods are based on the 6SV radiative transfer code but have different atmosphericcharacterization approaches. The MODIS-based method uses the MODIS Terra derived dynamicaerosol type, aerosol optical thickness, and water vapor to atmospherically correct ETM+ acquisitions ineach coincident orbit. The LEDAPS method uses aerosol characterizations derived independently from eachLandsat acquisition and assumes a fixed continental aerosol type and uses ancillary water vapor. Validationresults are presented comparing ETM+ atmospherically corrected data generated using these two methodswith AERONET corrected ETM+ data for 95 10 km10 km 30 m subsets, a total of nearly 8 million 30 mpixels, located across the conterminous United States. The results indicate that the MODIS-based methodhas better accuracy than the LEDAPS method for the ETM+ red and longer wavelength bands.

Atmospheric correction↗
NASA NTRSDate not supplied

New VIIRS DNB Stray Light Correction Method

The Day/Night Band (DNB) broadband (500-900nm) imager is one of the sensors in the Visible Infrared Imaging Radiometer Suite (VIIRS) on-board the Suomi National Polar-orbiting Partnership (SNPP) and the NOAA-20 satellites, which are polar-orbiting and fly at about 830km above the surface of the Earth. Depending on the satellite location and the sensor viewing geometry, for a short period just before (or after) the satellite enters into (or emerges from) the shadow of the Earth, unwanted stray light, seemingly caused by the reflection of solar beam on the slightly exposed inner side of the leading (or trailing) nadir door, can enter the instrument and impose noticeable impacts to a narrow portion of DNB satellite images in every orbit. The impacted images can be modified to look normal, and the current DNB stray light correction algorithm empirically assigns corrections. There is also an alternative approach using image-processing techniques. Both methods rely mainly on the stray light impacted measurements. To simplify the approach and for better correction results, the new method presented in this paper incorporates the observed asymptotic nature of measurements surrounding the stray light impacted region by fitting to the drop off in sun light from day to night. The new method can be applied to the raw measurements in real-time, and it can help to advance our understanding of this special type of DNB stray light that happens over the polar regions

VIIRS↗
NASA NTRS1977

Displacement incrementation in non-linear structural analysis by the self-correcting method

The prediction of nonlinear structural behavior by the finite element method wherein buckling does not occur has received considerable attention and, with it, reasonable success has been achieved. However, the post-buckling problem has been less actively pursued probably because of the inherent numerical difficulties encountered. This note reviews very briefly the numerical methods currently being used for pre- and post-buckling analysis and presents a self-correcting approach based on load and displacement incrementation which is shown to be efficient, reliable, and easy to program. Numerical solutions are presented which demonstrate the effectiveness of the method.

Haisler, W. E.↗
DOE OSTI2022

Study of Self-Interaction Errors in Density Functional Calculations of Magnetic Exchange Coupling Constants Using Three Self-Interaction Correction Methods

We examine the role of self-interaction errors (SIE) removal on the evaluation of magnetic exchange coupling constants. In particular we analyze the effect of scaling down the self-interaction-correction (SIC) for three non-empirical density functional approximations (DFAs) namely, the local spin density approximation, the Perdew-Burke-Ernzerhof generalized gradient approximation, and recent SCAN family of meta-GGA functionals. To this end, we employ three one-electron SIC methods: Perdew-Zunger [Perdew, J. P.; Zunger, A. Phys. Rev. B, 1981, 23, 5048] SIC, the orbitalwise scaled SIC method [Vydrov, O. A. et al., J. Chem. Phys. 2006, 124, 094108], and the recent local scaling method [Zope, R. R. et al., J. Chem. Phys. 2019, 151, 214108]. We compute the magnetic exchange coupling constants using the spin projection and non projection approaches for sets of molecules composed of dinuclear and polynuclear H-He models, organic radical molecules, and chlorocuprate, and compare these results against accurate theories and experiment. Our results show that for the systems that mainly consist of single electron regions, PZSIC performs well but for more complex organic systems and the chlorcuprates, an overcorrecting tendency of PZSIC combined with the DFAs utilized in this work is more pronounced, and in such cases LSIC with kinetic energy density ratio performs better than PZSIC. Furthermore, analysis of the results in terms of SIC corrections to the density and to the total energy shows that both density and energy correction are required to obtain an improved prediction of magnetic exchange couplings.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1984

LANDSAT-4 MSS Geometric Correction: Methods and Results

An automated image registration system such as that developed for LANDSAT-4 can produce all of the information needed to verify and calibrate the software and to evaluate system performance. The on-line MSS archive generation process which upgrades systematic correction data to geodetic correction data is described as well as the control point library build subsystem which generates control point chips and support data for on-line upgrade of correction data. The system performance was evaluated for both temporal and geodetic registration. For temporal registration, 90% errors were computed to be .36 IFOV (instantaneous field of view) = 82.7 meters) cross track, and .29 IFOV along track. Also, for actual production runs monitored, the 90% errors were .29 IFOV cross track and .25 IFOV along track. The system specification is .3 IFOV, 90% of the time, both cross and along track. For geodetic registration performance, the model bias was measured by designating control points in the geodetically corrected imagery.

Brooks, J.↗
DOE OSTI2023

Vertical detachment energies of ammonia cluster anions using self-interaction-corrected methods

Systems with weakly bound extra electrons impose great challenges to semilocal density functional approximations (DFAs), which suffer from self-interaction errors. Small ammonia clusters are one such example of weakly bound anions where the extra electron is weakly bound. We applied two self-interaction correction (SIC) schemes, viz., the well-known Perdew–Zunger and the recently developed locally scaled SIC (LSIC) with the local spin density approximation (LSDA), Perdew–Burke–Ernzerhof (PBE) generalized gradient approximation (GGA), and the SCAN meta-GGA functionals to calculate the vertical detachment energies (VDEs) of small ammonia cluster anions (NH3)n–. Our results show that the LSIC significantly reduces the errors in calculations of VDE with LSDA and PBE-GGA functionals leading to better agreement with the reference values calculated with coupled cluster singles and doubles with perturbative triples [CCSD(T)]. Accurate prediction of VDE as an absolute of the highest occupied molecular orbital (HOMO) is challenging for DFAs. Our results show that VDEs estimated from the negative of HOMO eigenvalues with the LSIC-LSDA and Perdew–Zunger SIC-PBE are within 11 meV of the reference CCSD(T) results. Here, the LSIC method performs consistently well for the VDE estimates, from both the total energy differences and the absolute HOMO eigenvalues.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Study of self-interaction errors in density functional predictions of dipole polarizabilities and ionization energies of water clusters using Perdew-Zunger and locally scaled self-interaction corrected methods

Here, we studied the effects of self-interaction error (SIE) on the static dipole polarizabilities of water clusters modelled with three increasingly sophisticated, non-empirical density functional approximations (DFAs), viz. the local spin density approximation (LDA), the Perdew-Burke-Ernzherof (PBE) generalized-gradient approximation (GGA), and the strongly constrained and appropriately normed (SCAN) meta-GGA, using the Perdew-Zunger self-interaction-correction (PZ-SIC) energy functional in the Fermi-Lowdin orbital SIC (FLO-SIC) framework. Our results show that while all three DFAs overestimate the cluster polarizabilities, the description systematically improves from LDA to PBE to SCAN. The self-correlation free SCAN predicts polarizabilities quite accurately with a mean absolute error (MAE) of 0.58 Bohr 3 with respect to coupled cluster singles and doubles (CCSD) values. Removing SIE using PZ-SIC correctly reduces the DFA polarizabilities, but over-corrects, resulting in underestimated polarizabilities in SIC-LDA, -PBE, and -SCAN. Finally, we applied a recently proposed local-scaling SIC (LSIC) method using a quasi self-consistent scheme and using the kinetic energy density ratio as an iso-orbital indicator. The results show that the LSIC polarizabilities are in excellent agreement with mean absolute error of 0.08 Bohr 3 for LSIC-LDA and 0.06 Bohr 3 for LSIC-PBE with most recent CCSD polarizabilities. Likewise, the ionization energy estimates as an absolute of highest occupied energy eigenvalue predicted by LSIC are also in excellent agreement with CCSD(T) ionization energies with MAE of 0.4 eV for LSIC-LDA and 0.04 eV for LSIC-PBE. The LSIC-LDA predictions of ionization energies are comparable to the reported GW ionization energies while the LSIC-PBE ionization energies are more accurate than reported GW results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2019

Ground Vibration Testing at NASA Armstrong, Emphasizing on Passive Aeroelastic Tailored Wing Ground Vibration Test Using Fixed Base Correction Method

How does experimental mechanics contribute to aircraft aeroelastic airworthiness? The aviation community is always improving analysis and testing techniques to realize quicker, cheaper, reliable solutions. A ground vibration test (GVT) is conducted to identify structural mode shapes, frequencies, and damping values to validate analytical models used for flutter analysis, which shows whether a structure has acceptable aeroelastic flutter margins for airworthiness. The FLL recently conducted a GVT of the Passive Aeroelastic Tailored (PAT) Wing using an experimental modal technique called Fixed Base Correction (FBC). The GVT objective was to obtain the PAT wing modal characteristics to compare test results with finite element model (FEM) results for the tow-steered wingbox.

loads testing↗
NASA NTRS2000

A Systematic Error Correction Method for TOVS Radiances

Treatment of systematic errors is crucial for the successful use of satellite data in a data assimilation system. Systematic errors in TOVS radiance measurements and radiative transfer calculations can be as large or larger than random instrument errors. The usual assumption in data assimilation is that observational errors are unbiased. If biases are not effectively removed prior to assimilation, the impact of satellite data will be lessened and can even be detrimental. Treatment of systematic errors is important for short-term forecast skill as well as the creation of climate data sets. A systematic error correction algorithm has been developed as part of a 1D radiance assimilation. This scheme corrects for spectroscopic errors, errors in the instrument response function, and other biases in the forward radiance calculation for TOVS. Such algorithms are often referred to as tuning of the radiances. The scheme is able to account for the complex, air-mass dependent biases that are seen in the differences between TOVS radiance observations and forward model calculations. We will show results of systematic error correction applied to the NOAA 15 Advanced TOVS as well as its predecessors. We will also discuss the ramifications of inter-instrument bias with a focus on stratospheric measurements.

Joiner, Joanna↗