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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
NASA NTRS1995

The point spread function of the soft X-ray telescope aboard Yohkoh

The point spread function of the SXT telescope aboard Yohkoh has been measured in flight configuration in three different X-ray lines at White Sands Missile Range. We have fitted these data with an elliptical generalization of the Moffat function. Our fitting method consists of chi squared minimization in Fourier space, especially designed for matching of sharply peaked functions. We find excellent fits with a reduced chi squared of order unity or less for single exposure point spread functions over most of the CCD. Near the edges of the CCD the fits are less accurate due to vignetting. From fitting results with summation of multiple exposures we find a systematic error in the fitting function of the order of 3% near the peak of the point spread function, which is close to the photon noise for typical SXT images in orbit. We find that the full width to half maximum and fitting parameters vary significantly with CCD location. However, we also find that point spread functions measured at the same location are consistent to one another within the limit determined by photon noise. A 'best' analytical fit to the PSF as function of position on the CCD is derived for use in SXT image enhancemnent routines. As an aside result we have found that SXT can determine the location of point sources to about a quarter of a 2.54 arc sec pixel.

Martens, Petrus C.↗
DOE OSTI2021

Exact-two-component block-localized wave function: A simple scheme for the automatic computation of relativistic ΔSCF

Block-localized wave function is a useful method for optimizing constrained determinants. In this article, we extend the generalized block-localized wave function technique to relativistic two-component framework. Optimization of excited state determinants for two-component wave functions presents a unique challenge because the excited state manifold is often quite dense with degenerate states. Furthermore, we test the degree to which certain symmetries result naturally from the ΔSCF optimization such as time reversal symmetry and symmetry with respect to the total angular momentum operator on a series of atomic systems. Variational optimizations may often break symmetry in order to lower the overall energy, just as unrestricted Hartree-Fock breaks spin symmetry. Overall, we demonstrate that time reversal symmetry is roughly maintained when using Hartree-Fock, but less so when using Kohn-Sham density functional theory. Additionally, maintaining total angular momentum symmetry appears to be system dependent and not guaranteed. Finally, we were able to trace the breaking of total angular momentum symmetry to the relaxation of core electrons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

A new approach for determining fully empirical altimeter wind speed model functions

A statistical technique is developed for determining fully empirical model functions relating altimeter backscatter (sigma(sub 0)) measurements to near-surface neutral stability wind speed. By assuming that sigma(sub 0) varies monotonically and uniquely with wind speed, the method requires knowledge only of the separate, rather than joint distribution functions of sigma(sub 0) and wind speed. Analytic simplifications result from using a Weibull distribution to approximate the global ocean wind speed distribution; several different wind data sets are used to demonstrate the validity of the Weibull approximation. The technique has been applied to 1 year of Geosat data. Validation of the new and historical model functions using an independent buoy data set demonstrates that the present model function not only has small overall bias and root mean square (RMS) errors, but yields smaller systematic error trends with wind speed and pseudowave age than previously published models. The present analysis suggests that generally accuracte altimeter model functions can be derived without the use of colocated measurements, nor is additional significant wave height information measured by the altimeter necessary.

Freilich, M. H.↗
NASA NTRS1999

Work on Planetary Atmospheres and Planetary Atmosphere Probes

A major objective of the grant was to complete the fabrication, test, and evaluation of the atmosphere structure experiment on the Galileo Probe, and to receive, analyze, and interpret data received from the spacecraft. The grantee was competitively selected to be Principal Investigator of Jupiter's atmosphere structure on the Galileo Probe. His primary motivation was to learn as much as possible about Jupiter's atmosphere by means of a successful atmosphere structure experiment, and to support the needs and schedule of the Galileo Project. After a number of launch delays, the Flight instrument was shipped to Kennedy Space Center 2 years after the start of this collaboration, on April 14, 1989, at which time it was determined from System level tests of the ASI on the Probe that the instrument was in good working order and ready for flight. The spacecraft was launched on October 18, 1989. Data analysis of test and calibration data taken over a period of years of instrument testing was continued in preparation for the encounter. The initial instrument checkout in space was performed on October 26, 1989. The data set received by telemetry was thoroughly analyzed, and a report of the findings was transmitted to the Probe Operations Office on Feb. 28, 1990. Key findings reported were that the accelerometer biases had shifted by less than 1 mg through launch and since calibration at Bell Aerospace in 1983; accelerometer scale factors, evaluated by means of calibration currents, fell on lines of variation with temperature established in laboratory calibrations; pressure sensor offsets, correlated as a function of temperature, fell generally within the limits of several years of ground test data; atmospheric and engineering temperature sensor data were internally consistent within a few tenths of a degree; and the instrument electronics performed all expected functions without any observable fault. Altogether, this checkout was highly encouraging of the prospects of instrument performance, although performed greater than 5 years prior to Jupiter encounter. Capability of decoding the science data from the Experiment Data Record to be provided at encounter was developed and exercised using the tape recording of the first Cruise Checkout data. A team effort was organized to program the selection and combination of data words defining pressure, temperature, acceleration, turbulence, and engineering quantities; to apply decalibration algorithms to convert readings from digital numbers to physical quantities; and to organize the data into a suitable printout. A paper on the Galileo Atmosphere Structure Instrument was written and submitted for publication in a special issue of Space Science Reviews. At the Journal editor's request, the grantee reviewed other Probe instrument papers submitted for this special issue. Calibration data were carefully taken for all experiment sensors and accumulated over a period of 10 years. The data were analyzed, fitted with algorithms, and summarized in a calibration report for use in analyzing and interpreting data returned from Jupiter's atmosphere. The sensors included were the primary science pressure, temperature, and acceleration sensors, and the supporting engineering temperature sensors. This report was distributed to experiment coinvestigators and the Probe Project Office.

Seiff, Alvin↗
NASA NTRS1987

On singular cases in the design derivative of Green's functional

The author's prior development of a general abstract representation for the design sensitivities of Green's functional for linear structural systems is extended to the case where the structural stiffness vanishes at an internal location. This situation often occurs in the optimal design of structures. Most optimality criteria require that optimally designed beams be statically determinate. For clamped-pinned beams, for example, this is possible only if the flexural stiffness vanishes at some intermediate location. The Green's function for such structures depends upon the stiffness and the location where it vanishes. A precise representation for Green's function's sensitivity to the location of vanishing stiffness is presented for beams and axisymmetric plates.

Reiss, Robert↗
DOE OSTI2020

Uncovering DNA-PKcs ancient phylogeny, unique sequence motifs and insights for human disease

DNA-dependent protein kinase catalytic subunit (DNA-PKcs) is a key member of the phosphatidylinositol-3 kinase-like (PIKK) family of protein kinases with critical roles in DNA-double strand break repair, transcription, metastasis, mitosis, RNA processing, and innate and adaptive immunity. The absence of DNA-PKcs from many model organisms has led to the assumption that DNA-PKcs is a vertebrate-specific PIKK. Here, we find that DNA-PKcs is widely distributed in invertebrates, fungi, plants, and protists, and that threonines 2609, 2638, and 2647 of the ABCDE cluster of phosphorylation sites are highly conserved amongst most Eukaryotes. Furthermore, we identify highly conserved amino acid sequence motifs and domains that are characteristic of DNA-PKcs relative to other PIKKs. These include residues in the Forehead domain and a novel motif we have termed YRPD, located in an α helix C-terminal to the ABCDE phosphorylation site loop. Combining sequence with biochemistry plus structural data on human DNA-PKcs unveils conserved sequence and conformational features with functional insights and implications. The defined generally progressive DNA-PKcs sequence diversification uncovers conserved functionality supported by Evolutionary Trace analysis, suggesting that for many organisms both functional sites and evolutionary pressures remain identical due to fundamental cell biology. The mining of cancer genomic data and germline mutations causing human inherited disease reveal that robust DNA-PKcs activity in tumors is detrimental to patient survival, whereas germline mutations compromising function are linked to severe immunodeficiency and neuronal degeneration. We anticipate that these collective results will enable ongoing DNA-PKcs functional analyses with biological and medical implications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Near-field radiative heat transfer between irregularly shaped dielectric particles modeled with the discrete system Green's function method

Near-field radiative heat transfer (NFRHT) between irregularly shaped dielectric particles made of SiO 2 and morphology characterized by Gaussian random spheres is studied. Particles are modeled using the discrete system Green's function (DSGF) approach, which is a volume integral numerical method based on fluctuational electrodynamics. This method is applicable to finite, three-dimensional objects, and all system interactions are defined independent of thermal excitation by a generalized system Green's function. The DSGF method is deemed suitable to model NFRHT between irregularly shaped particles after verification against the analytical solution for chains of two and three SiO 2 spheres. The NFRHT results reveal that geometric irregularity in particles leads to a reduction of the total conductance from that of comparable perfect spheres at vacuum separation distances smaller than the particle size, a regime in which NFRHT is a surface phenomenon. At vacuum separation distances larger than the particle size, NFRHT becomes a volumetric process, and the total conductance between irregularly shaped particles converges to that of comparable perfect spheres. Spectral analysis reveals, however, that particle irregularity leads to damping and broadening of resonances at all separation distances, thereby highlighting the importance of the DSGF method for spectral engineering in the near field. The reduced spectral coherence when particle size is larger than the vacuum separation distance is attributed to coupling of surface phonon-polaritons within the randomly generated, distorted particle features. For particle size smaller than the vacuum separation distance, resonance broadening and damping are linked with the multiple localized surface phonon modes supported by the composite spherical harmonic morphologies of the Gaussian random spheres. In conclusion, this paper has direct implications for thermal management of packed particle systems, with applications in radiative property control, electronics, energy conversion, and nanomanufacturing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2011

Separating Direct and Indirect Turbofan Engine Combustion Noise While Estimating Post-Combustion (Post-Flame) Residence Time Using the Correlation Function

A previous investigation on the presence of direct and indirect combustion noise for a full-scale turbofan engine using a far-field microphone at 130 is extended by also examining signals obtained at two additional downstream directions using far-field microphones at 110 deg and 160 deg. A generalized cross-correlation function technique is used to study the change in propagation time to the far field of the combined direct and indirect combustion noise signal as a sequence of low-pass filters are applied. The filtering procedure used produces no phase distortion. As the low-pass filter frequency is decreased, the travel time increases because the relative amount of direct combustion noise is reduced. The indirect combustion noise signal travels more slowly because in the combustor entropy fluctuations move with the flow velocity, which is slow compared to the local speed of sound. The indirect combustion noise signal travels at acoustic velocities after reaching the turbine and being converted into an acoustic signal. The direct combustion noise is always propagating at acoustic velocities. The results show that the estimated indirect combustion noise time delay values (post-combustion residence times) measured at each angle are fairly consistent with one another for a relevant range of operating conditions and demonstrate source separation of a mixture of direct and indirect combustion noise. The results may lead to a better idea about the acoustics in the combustor and may help develop and validate improved reduced-order physics-based methods for predicting turbofan engine core noise.

Miles, Jeffrey Hilton↗
DOE OSTI2025

HfNb_BCC_SolidSolution_128atoms_VASP6

We performed density functional theory (DFT) calculations for body-centered-cubic (BCC) structures with 128 lattices sites of solid solution binary alloys hafnium-niobium (Hf-Nb). The electronic structures of alloys have been calculated using Vienna Ab initio Simulation Package (VASP). Within this package the DFT approach is used to reduce many-body Schrodinger equation to set of single particle Kohn-Sham (KS) equations. The generalized electronic exchange-correlation functional is described by generalized gradient approximation with the Perdew-Burke-Ernzerhof parametrization. The electron-ion interactions is described by pseudopotentials developed within the plane-wave basis projector augmented-wave (PAW) approach. These pseudopotentials are available at the VASP portal (http://cms.mpi.univie.ac.at/vasp/). Our calculations have been run with the pseudopotentials treating s and p semi-core states as valence in case for the elements Hf and Nb. The electronic densities and potentials are expanded over plane-waves with energy cutoff of 350 eV. 2x2x2 k-mesh and normal precision were used. The alloys were modeled by supercell containing 128 randomly distributed atoms. At initial step the atoms occupy perfect BCC lattice cites. This initial structure was optimized until energy changes less than 1e-6 eV, while forces acting on atoms don't exceed 1e-2 eV/angstrom. The electron-ion interaction is described by PAW pseudopotentials. The calculations have been collected by sampling chemical compositions across the entire compositional range. The chemical compositions have been sampled by progressively changing the number of atoms per constituent by 4. For each chemical composition of binaries and ternaries, the first-principle calculations have been run for 100 randomized arrangements of the constituents on the BCC lattice sites. We collected data for a total of 3,029 randomized atomic structures over 31 chemical compositions. Further methodological and structural information is contained in the dataset README.txt file.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Data-driven predictive probability density function control of fiber length stochastic distribution shaping in refining process

Pulp is the most important raw material in paper in paper industries, whose Fiber Length Stochastic Distribution (FLSD) shaping directly determines the energy consumption and paper quality of the subsequent papermaking processes. However, the mean and variance are insufficient to describe the output FLSD shaping, which display non-Gaussian distribution properties. Therefore, the traditional control, method based on the mean and variance of fiber length is difficult to control the FLSD shaping effectively. In this paper, a novel data-driven predictive probability density function (PDF) control method is proposed for output FLSD shaping in refining process. Primarily, in order to improve the approximation accuracy of the PDF employing RBF neural network, the parameters (center value and width) of each RBF basis functions are tuned via utilizing iterative learning control (ILC) law, and the corresponding estimations of weights law can be obtained. Secondly, considering that the conventional linear model of weights vector has drawbacks of low accuracy and weak generalization ability, random vector functional link networks (RVFLNs) based data driven nonlinear modelling method is employed to characterize the prediction model between the input variables and weights vector. Finally, in order to reduce the randomness of the output FLSD, a minimum entropy control method under mean constraint is employed to design the predictive PDF controller for the output FLSD shaping with the help of the established nonlinear stochastic distribution model. Both simulations and experiments are given to illustrate the effectiveness and practicability of the proposed method.

Probability debsity function, Fiber length distrib↗
NASA NTRS1984

A variational method for the calculation of dynamic polarizabilities and two-photon transition moments - The dressed molecule approach

The solution of the time-dependent Schroedinger equation of the molecule + radiation field system is analyzed. A quantized radiation field is used. The relationship between the oscillatory wave function and the dressed state wave function is established, the oscillatory wave function being the solution if the radiation field is turned on at t = 0 and the dressed state being the stationary solution satisfying the boundary condition only if the field is present at t = negative infinity. In general, the oscillatory wave function can be expressed using a complete set of dressed states. However, in the presence of a nonresonant radiation field, the system is well represented by a single dressed state. Molecular properties such as dynamic polarizabilities and two-photon transition moments can be deduced from the dressed state wave function instead of the oscillatory wave function as in previous methods. Because of its stationary character, the dressed state is more amenable to approximate calculations. A CI method is developed for this purpose. The CI matrix is simple in form and can be readily constructed using existing computer codes. The present method can also be adapted to calculate other optical properties.

Huo, W. M.↗
NASA NTRS1992

Domain decomposition: A bridge between nature and parallel computers

Domain decomposition is an intuitive organizing principle for a partial differential equation (PDE) computation, both physically and architecturally. However, its significance extends beyond the readily apparent issues of geometry and discretization, on one hand, and of modular software and distributed hardware, on the other. Engineering and computer science aspects are bridged by an old but recently enriched mathematical theory that offers the subject not only unity, but also tools for analysis and generalization. Domain decomposition induces function-space and operator decompositions with valuable properties. Function-space bases and operator splittings that are not derived from domain decompositions generally lack one or more of these properties. The evolution of domain decomposition methods for elliptically dominated problems has linked two major algorithmic developments of the last 15 years: multilevel and Krylov methods. Domain decomposition methods may be considered descendants of both classes with an inheritance from each: they are nearly optimal and at the same time efficiently parallelizable. Many computationally driven application areas are ripe for these developments. A progression is made from a mathematically informal motivation for domain decomposition methods to a specific focus on fluid dynamics applications. To be introductory rather than comprehensive, simple examples are provided while convergence proofs and algorithmic details are left to the original references; however, an attempt is made to convey their most salient features, especially where this leads to algorithmic insight.

Keyes, David E.↗
DOE OSTI2023

Robust analytic continuation of Green's functions via projection, pole estimation, and semidefinite relaxation

Green's functions of fermions are described by matrix-valued Herglotz-Nevanlinna functions. Since analytic continuation is fundamentally an ill-posed problem, the causal space described by the matrix-valued Herglotz-Nevanlinna structure can be instrumental in improving the accuracy and in enhancing the robustness with respect to noise. We demonstrate a three-pronged procedure for robust analytic continuation called PES: (1) projection of data to the causal space; (2) estimation of pole locations; and (3) semidefinite relaxation within the causal space. We compare the performance of PES with the recently developed Nevanlinna and Carathéodory continuation methods and find that PES is more robust in the presence of noise and does not require the usage of extended precision arithmetics. We also demonstrate that a causal projection improves the performance of the Nevanlinna and Carathéodory methods. The PES method is generalized to bosonic response functions, for which the Nevanlinna and Carathéodory continuation methods have not yet been developed. Furthermore, it is particularly useful for studying spectra with sharp features, as they occur in the study of molecules and band structures in solids.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1972

Stability of large-scale systems with stable and unstable subsystems.

The purpose of this paper is to develop new methods for constructing vector Liapunov functions and broaden the application of Liapunov's theory to stability analysis of large-scale dynamic systems. The application, so far limited by the assumption that the large-scale systems are composed of exponentially stable subsystems, is extended via the general concept of comparison functions to systems which can be decomposed into asymptotically stable subsystems. Asymptotic stability of the composite system is tested by a simple algebraic criterion. With minor technical adjustments, the same criterion can be used to determine connective asymptotic stability of large-scale systems subject to structural perturbations. By redefining the constraints imposed on the interconnections among the subsystems, the considered class of systems is broadened in an essential way to include composite systems with unstable subsystems. In this way, the theory is brought substantially closer to reality since stability of all subsystems is no longer a necessary assumption in establishing stability of the overall composite system.

Grujic, Lj. T.↗
NASA NTRS1973

Asymptotic stability and instability of large-scale systems

The purpose of this paper is to develop new methods for constructing vector Lyapunov functions and broaden the application of Lyapunov's theory to stability analysis of large-scale dynamic systems. The application, so far limited by the assumption that the large-scale systems are composed of exponentially stable subsystems, is extended via the general concept of comparison functions to systems which can be decomposed into asymptotically stable subsystems. Asymptotic stability of the composite system is tested by a simple algebraic criterion. By redefining interconnection functions among the subsystems according to interconnection matrices, the same mathematical machinery can be used to determine connective asymptotic stability of large-scale systems under arbitrary structural perturbations.

Grujic, L. T.↗
NASA NTRS1990

CLIPS interface development tools and their application

A package of C-based PC user interface development functions has been developed and integrated into CLIPS. The primary function is ASK which provides a means to ask the user questions via multiple choice menus or the keyboard and then returns the user response to CLIPS. A parameter-like structure supplies information for the interface. Another function, SHOW, provides a means to paginate and display text. A third function, TITLE, formats and displays title screens. A similar set of C-based functions that are more general and thus will run on UNIX and machines have also been developed. Seven expert system applications were transformed from commercial development environments into CLIPS and utilize ASK, SHOW, and TITLE. Development of numerous new expert system applications using CLIPS and these interface functions has started. These functions greatly reduce the time required to build interfaces for CLIPS applications.

Engel, Bernard A.↗
DOE OSTI2021

Classical symmetries and the Quantum Approximate Optimization Algorithm

Here, we study the relationship between the Quantum Approximate Optimization Algorithm (QAOA) and the underlying symmetries of the objective function to be optimized. Our approach formalizes the connection between quantum symmetry properties of the QAOA dynamics and the group of classical symmetries of the objective function. The connection is general and includes but is not limited to problems defined on graphs. We show a series of results exploring the connection and highlight examples of hard problem classes where a nontrivial symmetry subgroup can be obtained efficiently. In particular, we show how classical objective function symmetries lead to invariant measurement outcome probabilities across states connected by such symmetries, independent of the choice of algorithm parameters or number of layers. To illustrate the power of the developed connection, we apply machine learning techniques toward predicting QAOA performance based on symmetry considerations. We provide numerical evidence that a small set of graph symmetry properties suffices to predict the minimum QAOA depth required to achieve a target approximation ratio on the MaxCut problem, in a practically important setting where QAOA parameter schedules are constrained to be linear and hence easier to optimize.

97 MATHEMATICS AND COMPUTING↗