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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
NASA NTRS1981

A stochastic-dynamic model for global atmospheric mass-field statistics

Global atmospheric mass field error correlations based on satellite observations and on numerical forecasts show strong and systematic latitude dependence. A model for the latitude dependent spatial correlation structure of mass field forecast errors is derived from dynamical considerations. Three methods of solution were tested. In the first method, the equation was solved by expansion in spherical harmonics, and the correlation function was computed analytically using the expansion coefficients. In the second method, the finite difference equivalent of the equation was solved using a fast poisson solver. The correlation function was computed using stratified sampling of the individual realizations. In the third method, a higher order equation was derived, and solved directly in finite differences by two successive applications of the fast poisson solver. The three methods were compared for accuracy and efficiency, and the third method was chosen as clearly superior.

Ghil, M.↗
NASA NTRS1989

Reanalysis, compatibility and correlation in analysis of modified antenna structures

A simple computational procedure is synthesized to process changes in the microwave-antenna pathlength-error measure when there are changes in the antenna structure model. The procedure employs structural modification reanalysis methods combined with new extensions of correlation analysis to provide the revised rms pathlength error. Mainframe finite-element-method processing of the structure model is required only for the initial unmodified structure, and elementary postprocessor computations develop and deal with the effects of the changes. Several illustrative computational examples are included. The procedure adapts readily to processing spectra of changes for parameter studies or sensitivity analyses.

Levy, R.↗
DOE OSTI2015

Fermi orbital self-interaction corrected electronic structure of molecules beyond local density approximation

The correction of the self-interaction error that is inherent to all standard density functional theory calculations is an object of increasing interest. In this article, we apply the very recently developed Fermi-orbital based approach for the self-interaction correction [M. R. Pederson et al., J. Chem. Phys. 140, 121103 (2014) and M. R. Pederson, J. Chem. Phys. 142, 064112 (2015)] to a set of different molecular systems. Our study covers systems ranging from simple diatomic to large organic molecules. We focus our analysis on the direct estimation of the ionization potential from orbital eigenvalues. Further, we show that the Fermi orbital positions in structurally similar molecules appear to be transferable.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Machine Learning Prediction of H Adsorption Energies on Ag Alloys

Adsorption energies on surfaces are excellent descriptors of their chemical properties, including their catalytic performance. This has prompted a significant amount of work towards efficiently predicting adsorption energies without performing expensive quantum chemical calculations, based on semi-empirical or data scientific models. Here, we develop machine learning models to predict H adsorption energies on stepped Ag surface alloys using a database of energies obtained from first-principles electronic structure calculations based on density functional theory. Starting with a simple model and iteratively refining the features extracted from the calculations, we determine the key characteristics of successful models, and reduce the number of features required for accurate prediction of the adsorption energy. We find that nonlinear models are essential for accurate predictions. Moreover, detailed comparison of model predictions and calculations reveal a counterintuitive "selfpassivation" induced by some alloying elements, as well as unexpected discontinuous electronic structure effects. These findings are rationalized using tight-binding model hamiltonians and by analyzing the electronic density of states. Lastly, we show that we can estimate the reliability of a particular prediction, mitigating the effects of errors in the small fraction of cases where these errors are significant.

36 MATERIALS SCIENCE↗
NASA NTRS1990

Robust tracking of a flexible spacecraft subject to induced disturbances and parametric uncertainties

A variable structure control technique combined with an operator spline for bilinear systems is implemented to a fast moving deformable structure for purposes of achieving robust tracking performance. The control torque applied to the structure is based on estimates of the structure parameters and on upper bounds of the model errors. For a rapid rotation of the deformable structure, the elastic response can be modeled by oscillators driven by angular acceleration, where stiffness and damping coefficients are also angular velocity and acceleration dependent. By transforming this 'slew-driven' elastic dynamics into a bilinear form, an operator spline can be constructed, that gives a low order estimate of the induced disturbance. An upper bound between the estimated deformation and the unknown exact deformation is also generated, which can be used where required in the sliding control correction.

Karray, Fakhreddine↗
NASA NTRS2015

Method for Real-Time Model Based Structural Anomaly Detection

A system and methods for real-time model based vehicle structural anomaly detection are disclosed. A real-time measurement corresponding to a location on a vehicle structure during an operation of the vehicle is received, and the real-time measurement is compared to expected operation data for the location to provide a modeling error signal. A statistical significance of the modeling error signal to provide an error significance is calculated, and a persistence of the error significance is determined. A structural anomaly is indicated, if the persistence exceeds a persistence threshold value.

Smith, Timothy A.↗
NASA NTRS1991

Analyzing Large Reflector Antenna Structures

Iterative Design of Antenna Structures (IDEAS) computer program performs finite-element analysis and optimization of design, with special features for analysis and design of microwave antennas and associated structural components. Primary feature to perform root-mean-square-best-fitting path-length-error and boresight-pointing-error analyses for Cassegrain microwave antenna structure loaded by gravity, wind, or other environmental effects. Flexible and easy to use. Written in ATHENA FORTRAN and ASSEMBLER.

Levy, Roy↗
NASA NTRS1995

Plasma gradient effets on doubel-probe measurements in the magnetosphere

The effects on double-probe electric field measurements induced by electron density and temperature gradients are investigated. We show that on some occasions such gradients may lead to marked spurious electric fields if the probes are assumed to lie at the same probe potential with repect to the plasma. The use of a proper bias current will decrease the magnitude of such an error. When the probes are near the plasma potential, the magnitude of these error signals, delta Epsilon, can vary as delta Epsilon approx. T(sub e)(Delta n(sub e)/n(sub e)) + 0.5 Delta T(sub e), where T(sub e) is the electron temperature, Delta n(sub e)/ n(sub e) the relative electron density variation between the two sensors, and Delta T(sub e) the electron temperature difference between the two sensors. This not only implies that the error signals will increase linearly with the density variations but also that such signatures grow with Delta T(sub e) i.e., such effects are 10 times larger in a 10-eV plasma than in a 1-eV plasma. This type of error is independent of the probe separation distance provided the gradient scale length is much larger than the distance. The largest errors occur when the probes are near to the plasma potential. During the crossing of a small structure (e.g, a double layer) the error signal appears as a bipolar signature. Our analysis shows that errors in double-probe measurements caused by plasma gradients are not significant at large scale (much greater than 1 km) plasma boundaries, and may only be important in cases where small-scale (less than 1 km), internal gradient structures exist. Bias currents tailored for each plasma parameter regime (i.e., variable bias current) would improve the double-probe response to gradient effects considerably.

Laakso, Harri↗
NASA NTRS1984

Error analysis and correction of discrete solutions from finite element codes

Many structures are an assembly of individual shell components. Therefore, results for stresses and deflections from finite element solutions for each shell component should agree with the equations of shell theory. This paper examines the problem of applying shell theory to the error analysis and the correction of finite element results. The general approach to error analysis and correction is discussed first. Relaxation methods are suggested as one approach to correcting finite element results for all or parts of shell structures. Next, the problem of error analysis of plate structures is examined in more detail. The method of successive approximations is adapted to take discrete finite element solutions and to generate continuous approximate solutions for postbuckled plates. Preliminary numerical results are included.

Thurston, G. A.↗
DOE OSTI2021

Structural basis of DNA synthesis opposite 8-oxoguanine by human PrimPol primase-polymerase

PrimPol is a human DNA polymerase-primase that localizes to mitochondria and nucleus and bypasses the major oxidative lesion 7,8-dihydro-8-oxoguanine (oxoG) via translesion synthesis, in mostly error-free manner. We present structures of PrimPol insertion complexes with a DNA template-primer and correct dCTP or erroneous dATP opposite the lesion, as well as extension complexes with C or A as a 3'–terminal primer base. We show that during the insertion of C and extension from it, the active site is unperturbed, reflecting the readiness of PrimPol to accommodate oxoG(anti). The misinsertion of A opposite oxoG(syn) also does not alter the active site, and is likely less favorable due to lower thermodynamic stability of the oxoG(syn)•A base-pair. During the extension step, oxoG(syn) induces an opening of its base-pair with A or misalignment of the 3'-A primer terminus. Together, the structures show how PrimPol accurately synthesizes DNA opposite oxidatively damaged DNA in human cells.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2022

High-precision predictions of properties of chemically disordered crystals

Multiple scattering theory (MST) combined with density functional theory (DFT) allows to predict properties of chemically disordered materials from the first principles. However, such predictions often suffer from the systematic errors, which depend on crystal geometry. Each computed property of a particular crystal structure typically has a relatively small random error and a larger systematic error. Cancellation of systematic errors allows more accurate predictions. We propose a computational methodology based on the subtraction of the systematic errors in MST. To exemplify it, we apply it to the precipitated alloys. Considering precipitation strengthening in Ni superalloys, we compute the relative enthalpies of the competing Ni_3(Al_{1-x}Ti_x)_1 crystal structures with a chemical disorder on the Al+Ti sublattice. Such predicted composition-structure-property dependencies are useful for the guided design of the next-generation alloys with improved strength. Our predictions are validated by comparison with the results of other DFT methods (having a higher computational cost) and with experiment.

density functional theory↗
DOE OSTI2022

Nondestructive Damage Detection of Concrete With Alkali-Silica Reactions Using Coda Wave and Anomaly Detection

An anomaly detection model for early damage detection for concrete structures undergoing alkali-silica reaction (ASR) is presented. It is difficult to detect ASR initiation and early damage without a reference expansion measurement. Coda waves, or the multiply scattered portion of ultrasonic waves, have been found to be indicative of small changes in complex material such as concrete. The relationship between concrete damage and relative velocity change and decorrelation of coda waves has been studied, but a generalized model which detects when damage occurs in a concrete structure is still lacking. The presented method uses features extracted from coda waves to detect early damage in concrete structures. The model uses unsupervised learning and only requires data from undamaged structures for training. During the training process, the reconstruction error of the training data is minimized. When the data collected from damaged concrete structures is used as an input of the model, it returns high reconstruction errors that indicate the occurrence of damage in the structures. The performance of the model is validated using experimental studies and has been shown to generalize across two different ASR specimens.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1997

Inherent Conservatism in Deterministic Quasi-Static Structural Analysis

The cause of the long-suspected excessive conservatism in the prevailing structural deterministic safety factor has been identified as an inherent violation of the error propagation laws when reducing statistical data to deterministic values and then combining them algebraically through successive structural computational processes. These errors are restricted to the applied stress computations, and because mean and variations of the tolerance limit format are added, the errors are positive, serially cumulative, and excessively conservative. Reliability methods circumvent these errors and provide more efficient and uniform safe structures. The document is a tutorial on the deficiencies and nature of the current safety factor and of its improvement and transition to absolute reliability.

Verderaime, V.↗
NASA NTRS1993

Retrieval of the columnar aerosol phase function and single-scattering albedo from sky radiance over the ocean - Simulations

Based on the fact that the part of downward radiance that depends on the optical properties of the aerosol in the atmosphere can be extracted from the measured sky radiance, a new scheme for retrieval of the aerosol phase function and the single-scattering albedo over the ocean is developed. This retrieval algorithm is tested with simulations for several cases. It is found that the retrieved aerosol phase function and the single-scattering albedo are virtually error-free if the vertical structure of the atmosphere is known and if the sky radiance and the aerosol optical thickness can be measured accurately. The robustness of the algorithm in realistic situations, in which the measurements are contaminated by calibration errors or noise, is examined. It is found that the retrieved value of omega(0) is usually in error by less than about 10 percent, and the phase function is accurately retrieved for theta less than about 90 deg. However, as the aerosol optical thickness becomes small, e.g., less than about 0.1, errors in the sky radiance measurement can lead to serious problems with the retrieval algorithm, especially in the blue. The use of the retrieval scheme should be limited to the red and near IR when the aerosol optical thickness is small.

Wang, Menghua↗
NASA NTRSDate not supplied

High-precision predictions of properties of chemically disordered crystals

Multiple scattering theory (MST) combined with density functional theory (DFT) allows to predict properties of chemically disordered materials from the first principles. However, such predictions often suffer from the systematic errors, which depend on crystal geometry. Each computed property of a particular crystal structure typically has a relatively small random error and a larger systematic error. Cancellation of systematic errors allows more accurate predictions. We propose a computational methodology based on the subtraction of the systematic errors in MST. To exemplify it, we apply it to the precipitated alloys. Considering precipitation strengthening in Ni superalloys, we compute the relative enthalpies of the competing Ni3(Al,Ti)1 crystal structures with a chemical disorder on the Al+Ti sublattice. Such predicted composition-structure-property dependencies are useful for the guided design of the next-generation alloys with improved strength. Our predictions are validated by comparison with the results of other DFT methods (having a higher computational cost) and with experiment. We acknowledge funding of the guided design of stronger superalloys for airspace by NASA Aeronautics Research Mission Directorate (ARMD) via Transformational Tools and Technologies (TTT) Project.

Computational↗
NASA NTRS1974

On the performance of digital phase locked loops in the threshold region

Extended Kalman filter algorithms are used to obtain a digital phase lock loop structure for demodulation of angle modulated signals. It is shown that the error variance equations obtained directly from this structure enable one to predict threshold if one retains higher frequency terms. This is in sharp contrast to the similar analysis of the analog phase lock loop, where the higher frequency terms are filtered out because of the low pass filter in the loop. Results are compared to actual simulation results and threshold region results obtained previously.

Hurst, G. T.↗
NASA NTRS2014

OCCAMS: Optically Controlled and Corrected Active Meta-Material Space Structures

Telescopes require sub-wavelength figure (shape) error in order to achieve acceptable Strehl ratios. Traditional methods of achieving this require rigid and therefore heavy mirrors and reaction structures as well as proportionally heavy and expensive spacecraft busses and launch vehicles. This effectively limits the diameter and therefore resolution and collecting area of space optics. Large diameter telescopes must either be heavy or actively controlled. Space telescopes of the size proposed for missions such as TPF (Terrestrial Planet Finder), TPI (Terrestrial Planet Imager), etc. will likely require large active primaries and structures and corrective optics to implement downstream wavefront control. We propose a novel viable enabling technology. High resolution space imaging requires the production of lightweight large aperture optics subject to design tradespace constraints based on nanometer physical tolerances, low system aerial density, high control authority, suitable thermal and mechanical properties, deployment capability, launch vehicle volume constraints, as well as production cost and schedule risk mitigation. Segmented systems impose additional requirements on segment alignment, wavefront phasing, and telescope mass with increased edge diffraction. Photons weigh nothing. Why must even small space telescopes "weigh" tons? Our team is working to demonstrate that they do not, by leveraging 15 years of effort and a novel advanced concept.The ultimate research goal is to refine technology to produce a mission capable ultra-lightweight membrane optic whose shape can be remotely controlled using a laser beam. Using our novel optically-controlled molecular actuators allows substitution of optically-induced control for rigidity and mirror mass. In analogy with noise-canceling headphones, this technique also potentially provides a way to excite vibratory modes to couple with and damp out normal modes of oscillation induced by slewing, other motion and thermal changes, thus allowing a robust response to repointing of a large aperture.

Astronomy↗
DOE OSTI2022

Voronoi Meshing to Accurately Capture Geological Structure in Subsurface Simulations

Mesh generation lies at the interface of geological modeling and reservoir simulation. Highly skewed or very small grid cells may be necessary to accurately capture the geometry of geological features, but the resulting poorly scaled or small grid cells can have a substantial negative impact on simulator accuracy and speed. One way to minimize numerical errors caused by gridding complex structures is to simulate on high-quality Voronoi meshes, which reduce grid orientation effects in fluid flow. This work presents a complete methodology to create Voronoi simulation grids, model fluid flow in complex geological systems, and visualize the results. A recently developed Voronoi meshing method that can automatically generate provably good unstructured meshes that conform to input surfaces creating closed volumes is used. Initially an analytical benchmark simulation is presented to validate the quality of the meshes and simulation results and demonstrate the superiority of simulation results using Voronoi meshes over flexed-hexahedral meshes on a domain with internal features. Next, meshes are created for test structures representing four of the most common geological features in the subsurface: layering, pinch-out, an interior lens that tapers to zero thickness on all sides and a fault with offset. Two benchmark flow simulations are run for each test structure. Finally, a realistic geological example for CO 2 injection into an anticline is simulated. Three realizations of the Voronoi mesh at the same resolution are generated for the simulations. Each mesh is highly refined near the injection wells and coarse in areas of less interest. These three meshes are used to model the CO 2 plume in the subsurface as it migrates to the top of the structure and then fills downward. Simulations on the meshes with randomly generated elements inside the input volumes each give slightly different fingering patterns for the viscous-unstable buoyant gas flow. The results presented in this work show a promising step towards utilizing fully automated Voronoi meshing for subsurface flow simulations in complex geology.

58 GEOSCIENCES↗