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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 1,549 records · Page 86
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NASA NTRSDate not supplied

Parallelized Quadrupole Simulations of Thermographic Responses of Composites

Thermography has been shown to be a viable technique for inspection of composites. Model inversion of the thermography data requires a fast method for performing the forward problem. Viable numerical methods for the thermal response forward problem are finite element, finite difference and the quadrupole method. Normally both the finite element and finite difference methods solve for the thermal response in the time domain which limits one’s ability to increase the speed of the simulation by parallelization. In contrast, the quadrupole method solves for the Laplace transform of the thermal response. One of the features of the Laplace transform methodology is the solution at any discrete time is independent of the solution at all other times. Therefore, it is easy to separate into a set of independent calculations with each of the times of interest being performed in parallel. Additionally, the numeric inversion of the Laplace transform typically involves numerically solving for the Laplace transform at multiple Laplace frequencies. Each of those solutions are also independent of solutions at other frequencies and can be calculated in parallel. By parallelization of this method, it is possible to perform the simulations of three-dimensional configurations in seconds. When the input stimulus for thermal response is a delta function heat flux (a reasonable approximation for flash heating), the thermal response is smooth. For this case, it is possible to accurately estimate the thermal response at any time within a given time interval from a set of simulations separated by exponentially increasing time steps. From these simulations, it is possible to accurately interpolate to find the response at intermediate times by a spline interpolation of the logarithm of time versus logarithm of temperature. The thermal response with exponential time stepping is shown to produce values for the thermal response which are within 1% of values within the time interval. The simulations are compared to finite element simulations of the same inspection configurations. The simulations are also compared to the thermographic measurements on composites where shape and depth of the delaminations are obtained from other inspection methods.

Thermography↗
DOE OSTI2020

Energy density functional and sensitivity of energies of giant resonances to bulk nuclear matter properties

The development of a modern and more realistic nuclear energy density functional (EDF) for accurate predictions of properties of nuclei is the subject of enhanced activity, since it is very important for the study of properties of nuclear matter (NM), giant resonances and, in particular, of properties of rare nuclei with unusual neutron-to-proton ratios. Here, we provide a short review of the current status of the nuclear EDF and the theoretical results obtained for properties of nuclei and nuclear matter. We will first describe a method for determining the parameters of the EDF, associated with the Skyrme type effective interaction, by carrying out a Hartree-Fock based fit to extensive set of data of ground state properties and constraints. Next we will describe the fully self-consistent Hartree-Fock (HF) based random-phase-approximation (RPA) theory for calculating the strength functions S(E) and centroid energies E CEN of giant resonances and the folding model (FM) distorted wave Вorn approximation (DWBA) to calculate the excitation cross section of giant resonances by α scattering. Then we will provide results for: (i) the Skyrme parameters of the KDE0v1 EDF; (ii) consequences of violation of self-consistently in HF-based RPA; (iii) FM-DWBA calculation of excitation cross section; (iv) values of the E CEN of isoscalar and isovector giant resonances of multipolarities L=0–3 for a wide range of spherical nuclei, using 33 EDFs associated with standard form of the Skyrme type interactions, commonly employed in the literature; and (v) the sensitivities E CEN of the giant resonances to bulk properties of NM. We also determine constraints on NM properties, such as the incompressibility coefficient and effective mass, by comparing with experimental data on E CEN of giant resonances.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1996

Downlink Probability Density Functions for EOS-McMurdo Sound

The visibility times and communication link dynamics for the Earth Observations Satellite (EOS)-McMurdo Sound direct downlinks have been studied. The 16 day EOS periodicity may be shown with the Goddard Trajectory Determination System (GTDS) and the entire 16 day period should be simulated for representative link statistics. We desire many attributes of the downlink, however, and a faster orbital determination method is desirable. We use the method of osculating elements for speed and accuracy in simulating the EOS orbit. The accuracy of the method of osculating elements is demonstrated by closely reproducing the observed 16 day Landsat periodicity. An autocorrelation function method is used to show the correlation spike at 16 days. The entire 16 day record of passes over McMurdo Sound is then used to generate statistics for innage time, outage time, elevation angle, antenna angle rates, and propagation loss. The levation angle probability density function is compared with 1967 analytic approximation which has been used for medium to high altitude satellites. One practical result of this comparison is seen to be the rare occurrence of zenith passes. The new result is functionally different than the earlier result, with a heavy emphasis on low elevation angles. EOS is one of a large class of sun synchronous satellites which may be downlinked to McMurdo Sound. We examine delay statistics for an entire group of sun synchronous satellites ranging from 400 km to 1000 km altitude. Outage probability density function results are presented three dimensionally.

Christopher, P.↗
NASA NTRS1966

Generalized Sternheimer potential.

Generalization of Sternheimer potential to include wave functions involving spin in nonfactorable way, exhibiting approximate Hamiltonian

QUANTUM THEORY↗
NASA NTRS1982

The delta-four-stream approximation for radiative flux transfer

An approximate technique for solving the radiative transfer problem for fluxes reflected, transmitted, and absorbed by a homogeneous scattering layer is presented. The technique is a straightforward delta-function modification of a solution to the transfer equation in closed form via the discrete-ordinates method with four streams. By the use of four streams, significant improvement in accuracy is obtained for anisotropic phase functions over that obtained by similarly employed two-stream approximations with delta-functions. However, the computational effort is increased only slightly. Equations are developed for the general case of a layer underlaid by a reflecting Lambert surface. Graphical comparisons are given of fractional error resulting from the use of this method with that resulting from the use of typical four-stream and delta-two-stream techniques.

Cuzzi, J. N.↗
DOE OSTI2022

Multirate Exponential Rosenbrock Methods

In this paper we propose a novel class of methods for high-order accurate integration of multirate systems of ordinary differential equation initial-value problems. The proposed methods construct multirate schemes by approximating the action of matrix φ functions within explicit exponential Rosenbrock (ExpRB) methods, thereby called multirate ExpRB (MERB) methods. They consist of the solution to a sequence of modified “fast” initial-value problems, which may themselves be approximated through subcycling any desired initial-value problem solver. In addition to proving how to construct MERB methods from certain classes of ExpRB methods, we provide rigorous convergence analysis of these methods and derive efficient MERB schemes of orders 2 through 6 (the highest-order infinitesimal multirate methods to date). Lastly, we then present numerical simulations to confirm these theoretical convergence rates and to compare the efficiency of MERB methods against other recently introduced high-order multirate methods.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2010

A Test of Thick-Target Nonuniform Ionization as an Explanation for Breaks in Solar Flare Hard X-Ray Spectra

Solar nonthermal hard X-ray (HXR) flare spectra often cannot be fitted by a single power law, but rather require a downward break in the photon spectrum. A possible explanation for this spectral break is nonuniform ionization in the emission region. We have developed a computer code to calculate the photon spectrum from electrons with a power-law distribution injected into a thick-target in which the ionization decreases linearly from 100% to zero. We use the bremsstrahlung cross-section from Haug (1997), which closely approximates the full relativistic Bethe-Heitler cross-section, and compare photon spectra computed from this model with those obtained by Kontar, Brown and McArthur (2002), who used a step-function ionization model and the Kramers approximation to the cross-section. We find that for HXR spectra from a target with nonuniform ionization, the difference (Delta-gamma) between the power-law indexes above and below the break has an upper limit between approx.0.2 and 0.7 that depends on the power-law index delta of the injected electron distribution. A broken power-law spectrum with a. higher value of Delta-gamma cannot result from nonuniform ionization alone. The model is applied to spectra obtained around the peak times of 20 flares observed by the Ramaty High Energy Solar Spectroscopic Imager (RHESSI from 2002 to 2004 to determine whether thick-target nonuniform ionization can explain the measured spectral breaks. A Monte Carlo method is used to determine the uncertainties of the best-fit parameters, especially on Delta-gamma. We find that 15 of the 20 flare spectra require a downward spectral break and that at least 6 of these could not be explained by nonuniform ionization alone because they had values of Delta-gamma with less than a 2.5% probability of being consistent with the computed upper limits from the model. The remaining 9 flare spectra, based on this criterion, are consistent with the nonuniform ionization model.

Holman, gordon↗
DOE OSTI2022

Excited State Phenomena in Correlated Nanostructures: Transition Metal Oxide Clusters and Nanocrystals

The primary goal of our research program was to apply advanced computational techniques to predict electronic properties of molecular species. These include transition metal monoxide and dioxide clusters and negatively charged copper oxide clusters which are important systems for their utilization in a variety of technological applications. The enhanced electron-electron interactions inherent in these systems make it challenging to model their excited state properties within a parameter-free approach. The excited state properties in question include the interaction of light with these molecules which results in ejection of electrons from the system, or the absorption of light by the molecular system resulting in a molecule in a higher-energy state. Our overall goal was to investigate the impact of various computational and theoretical approaches on such electronic and optical excitations in these systems. Comparing several variants of theoretical approaches with available experimental data, and high-level quantum chemistry computations helped us identify the level of theory and approximations that are needed to achieve a reasonable balance between accuracy and computational demand.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Bypassing the Energy Functional in Density Functional Theory: Direct Calculation of Electronic Energies from Conditional Probability Densities

Density functional calculations can fail for want of an accurate exchange-correlation approximation. The energy can instead be extracted from a sequence of density functional calculations of conditional probabilities (CP DFT). Simple CP approximations yield usefully accurate results for two-electron ions, the hydrogen dimer, and the uniform gas at all temperatures. CP DFT has no self-interaction error for one electron, and correctly dissociates H2, both major challenges. For warm dense matter, classical CP DFT calculations can overcome the convergence problems of Kohn-Sham DFT.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1998

Modeling the Variability of the BL Lacertae Object PKS 2155-304

The bright X-ray-selected BL Lacertae object PKS 2155-304 has been the target of two intense multi-wavelength campaigns in 1991 November and in 1994 May. Although the spectral energy distributions at both epochs were quite similar, the source exhibited two very distinct variability patterns that cannot be easily reconciled with homogeneous one-zone C7 jet models. During the first epoch the variability was almost achromatic in amplitude, with a time lag between X-rays and ultraviolet radiation (UV) of approximately three hours, while during the second epoch the variability amplitude increased as a function of wavelength with the EUV flare peaking approximately one day after the X-ray flare. We model the source using a time-dependent inhomogeneous accelerating jet model. We reproduce the general characteristics of the different variability signatures by assuming that plasma disturbances with different physical properties propagate downstream in an underlying jet characterized by the same set of physical parameters at both epochs. A time delay of approximately one day between the hardening of the UV spectral index and the UV flux present at both epochs is modeled with stochastic fluctuations in the particle acceleration manifested through small variations of the maximum energy of the injected electrons. We predict that similar time delays will be present in future observations even in the absence of strong variability event. We stress the importance of observations at neighboring frequencies as a diagnostic tool for the structure of the quiescent jet in blazars especially in the seemingly dull case in which strong variability is absent.

Georganopuolos, Markos↗
NASA NTRS1984

Reflectance Modeling

The main thrust of the work conducted is in the modeling of spectral responses of discontinuous conifer forest canopies, considered as collections of conical forms that are illuminated at an angle and cast shadows on contracting background. The three first-year objectives are: (1) modification of the variance-driven model to incorporate overlapping of shadows and crowns; (2) collection and analysis of photographic data to calibrate tree-spacing functions; and (3) collection of field data to determine height, spacing, and shape of conifers in open and closed stands in the Goosenest (California) test area. Modification of the invertible model uses a linear approximation to correct for the reduction in shadow and canopy area that occurs when shadows fall on crowns or tree crowns intersect. Comparison of the results of the approximation with a series of Monte Carlo simulations shows that the mean area covered by crowns or shadows is approximated quite accurately, but the variance calculated departs significantly from simulated values. The analysis of tree spacing patterns using air photos showed that spacing tended to be somewhat regular at a scale approximately equal to the average distance between trees, but at larger distance scales counts of trees in cells could be approximated acceptably by a Poisson (random) function.

Strahler, A. H.↗
DOE OSTI2017

Characterization of Thin Film Materials using SCAN meta-GGA, an Accurate Nonempirical Density Functional

We discuss self-consistently obtained ground-state electronic properties of monolayers of graphene and a number of ’beyond graphene’ compounds, including films of transition-metal dichalcogenides (TMDs), using the recently proposed strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (meta-GGA) to the density functional theory. The SCAN meta-GGA results are compared with those based on the local density approximation (LDA) as well as the generalized gradient approximation (GGA). As expected, the GGA yields expanded lattices and softened bonds in relation to the LDA, but the SCAN meta-GGA systematically improves the agreement with experiment. Our study suggests the efficacy of the SCAN functional for accurate modeling of electronic structures of layered materials in high-throughput calculations more generally.

36 MATERIALS SCIENCE↗
DOE OSTI2017

The Weizsäcker-Williams distribution of linearly polarized gluons (and its fluctuations) at small x

The conventional and linearly polarized Weizsäcker-Williams gluon distributions at small x are defined from the two-point function of the gluon field in light-cone gauge. They appear in the cross section for dijet production in deep inelastic scattering at high energy. We determine these functions in the small-x limit from solutions of the JIMWLK evolution equations and show that they exhibit approximate geometric scaling. Also, we discuss the functional distributions of these WW gluon distributions over the JIMWLK ensemble at rapidity Y ~ 1/αs. These are determined by a 2d Liouville action for the logarithm of the covariant gauge function g2tr A+(q)A+(-q). For transverse momenta on the order of the saturation scale we observe large variations across configurations (evolution trajectories) of the linearly polarized distribution up to several times its average, and even to negative values.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1989

A frequency domain analysis for damped space structures

A method is presented for the analysis of damped structural systems in which the structural components are represented by impedance models and analyzed in the frequency domain. Methods are presented to assemble and condense system impedance matrices, and then to identify approximate mass, stiffness, and damping matrices for systems whose impedances are complicated functions of frequency. Formulas are derived for determination of approximate values for system natural frequencies and damping using frequency domain quantities. The sensitivities of these approximate values to system parameter changes are analyzed. The implementation of these analysis tools is discussed and applied to a simple mechanical system.

Hagood, Nesbitt W.↗
DOE OSTI2020

Shortcomings of meta-GGA functionals when describing magnetism

Several recent studies have shown that SCAN, a functional belonging to the meta-generalized gradient approximation (MGGA) family, leads to significantly overestimated magnetic moments in itinerant ferromagnetic metals. However, this behavior is not inherent to the MGGA level of approximation since TPSS, for instance, does not lead to such severe overestimations. In order to provide a broader view of the accuracy of MGGAfunctionals for magnetism, we extend the assessment to more functionals but also to antiferromagnetic solids. The results show that to describe magnetism there is overall no real advantage in using a MGGA functional compared to GGAs. For both types of approximation, an improvement in ferromagnetic metals is necessarily accompanied by a deterioration (underestimation) in antiferromagnetic insulators, and vice versa. Furthermore, we also provide some analysis in order to understand in more detail the relation between the mathematical form of the functionals and the results.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Theoretical Investigation of Half-Metallic Ferromagnetism in Sodium-Based Fluoro-perovskite NaXF{sub 3} (X = V, Co)

We report on the structural, mechanical, magneto-electronic and thermodynamic properties of cubic sodium based fluoro-perovskite NaXF3 (X = V, Co) through density functional theory (DFT). The generalized gradient approximation of Perdew, Burke, and Ernzerh (GGA-PBE) and the Tran-Blaha modified Becke-Johnson potential (TB-mBJ) are used for modeling exchange-correlation effects. The calculated lattice parameters agree well with the experimental measurements. Elastic properties show that these compounds are mechanically stable. The results of spin-polarized band structure show a half metallic behavior of NaVF{sub 3} and NaCoF{sub 3}. The magnetic study shows that the nature of these compounds is ferromagnetic and the integer value of the total magnetic moment confirms the half metallicity for both materials. The thermodynamic characters are also investigated through quasi-harmonic approximation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1995

A theoretical derivation of the dependence of the remotely sensed reflectance of the ocean on the inherent optical properties

An expression for the ratio of the upwelling nadir radiance L(pi, z) and the downwelling scalar irradiance E(sub od)(Z) is derived from the following equation of radiative transfer. This expression is given by RSR(z) = (L(pi, z))/E(sub od) = (f(sub b)(z)b(sub b)(z))/2 pi(k(pi, z) + c(z) - F(sub L)(z)b(sub f)(z)), where b(sub b)(z) is the backscattering coefficient, k(pi, z) is the vertical attenuation coefficient of the nadir radiance, c(z) is the beam attenuation coefficient, and f(sub b)(z) and f(sub L)(z) are shape parameters that depend on the shape of the volume scattering function and the radiance distribution. Successive approximations are subsequently applied to the above exact equation. These are f(sub b)(z) = (2 pi beta(pi - theta(sub m), z)/(b(sub b)(z))), where beta(pi - theta(sub m), z) is the volume scattering function at 180 deg minus the zenith angle of the maximum radiance, and k(pi, z) = am = c(1 - 0.52 b/c - 0.44 (b/c)(exp 2)), where m is a parameter that is numerically equal to the inverse of the average cosine of the asymptotic light field for a medium with the same inherent optical properties, a is the absorption coefficient, and b/c is the single scattering albedo. Together with f(sub L)(z) = 1.05 and application of Gershun's equation, it is shown that for nearly all oceanic cases RSR(z) identical to L(pi, z)/E(sub od)(z) = (Beta(pi - theta(sub m), z))/(a(z)(1 + m(z))).

Zaneveld, J. Ronald V.↗
NASA NTRS1994

Extension of the quasistatic far-wing line shape theory to multicomponent anisotropic potentials

The formalism developed previously for the calculation of the far-wing line shape function and the corresponding absorption coefficient using a single-component anisotropic interaction term and the binary collision and quasistatic approximations is generalized to multicomponent anisotropic potential functions. Explicit expressions are presented for several common cases, including the long-range dipole-dipole plus dipole-quadrupole interaction and a linear molecule interacting with a perturber atom. After determining the multicomponent functional representation for the interaction between the CO2 and Ar from previously published data, we calculate the theoretical line shape function and the corresponding absorption due to the nu(sub 3) band of CO2 in the frequency range 2400-2580 cm(exp -1) and compare our results with previous calculations carried out using a single-component anisotropic interaction, and with the results obtained assuming Lorentzian line shapes. The principal uncertainties in the present results, possible refinements of the theoretical formalism, and the applicability to other systems are discussed briefly.

Ma, Q.↗