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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Band Energy Dependence of Defect Formation in the Topological Semimetal Cd3As2

Cadmium Arsenide (Cd3As2) is a prototypical Dirac semimetal that manifests topological properties in a 3D bulk material. In defect-free Cd3As2, the Fermi level lies at a minimum in the density of states at the Dirac point, but experimentally it forms with excess electron carriers and an elevated EF, thereby masking the topological features. To computationally study the self-doping of Cd3As2, we combine density functional theory (DFT) calculations for defect formation energies with quasi-particle self-consistent GW (QSGW) electronic structure calculations. We demonstrate an innate dependence of the point defect formation energies on carrier concentrations and use the QSGW calculated density of states to extrapolate formation energies to arbitrary electron concentrations. This approach allows the quantitative modeling of thermodynamic defect equilibria in topological semimetals and is used to predict how Cd3As2 growth conditions affect the position of EF relative to the Dirac point.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS↗
DOE OSTI2022

Local Noether theorem for quantum lattice systems and topological invariants of gapped states

Here, we study generalizations of the Berry phase for quantum lattice systems in arbitrary dimensions. For a smooth family of gapped ground states in d dimensions, we define a closed d + 2-form on the parameter space, which generalizes the curvature of the Berry connection. Its cohomology class is a topological invariant of the family. When the family is equivariant under the action of a compact Lie group G, topological invariants take values in the equivariant cohomology of the parameter space. These invariants unify and generalize the Hall conductance and the Thouless pump. A key role in these constructions is played by a certain differential graded Fréchet–Lie algebra attached to any quantum lattice system. As a by-product, we describe ambiguities in charge densities and conserved currents for arbitrary lattice systems with rapidly decaying interactions.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1980

Calculation of power spectrums from digital time series with missing data points

Two algorithms are developed for calculating power spectrums from the autocorrelation function when there are missing data points in the time series. Both methods use an average sampling interval to compute lagged products. One method, the correlation function power spectrum, takes the discrete Fourier transform of the lagged products directly to obtain the spectrum, while the other, the modified Blackman-Tukey power spectrum, takes the Fourier transform of the mean lagged products. Both techniques require fewer calculations than other procedures since only 50% to 80% of the maximum lags need be calculated. The algorithms are compared with the Fourier transform power spectrum and two least squares procedures (all for an arbitrary data spacing). Examples are given showing recovery of frequency components from simulated periodic data where portions of the time series are missing and random noise has been added to both the time points and to values of the function. In addition the methods are compared using real data. All procedures performed equally well in detecting periodicities in the data.

Murray, C. W., Jr.↗
NASA NTRS1977

Unsteady aerodynamic modeling for arbitrary motions

A study is presented on the unsteady aerodynamic loads due to arbitrary motions of a thin wing and their adaptation for the calculation of response and true stability of aeroelastic modes. In an Appendix, the use of Laplace transform techniques and the generalized Theodorsen function for two-dimensional incompressible flow is reviewed. New applications of the same approach are shown also to yield airloads valid for quite general small motions. Numerical results are given for the two-dimensional supersonic case. Previously proposed approximate methods, starting from simple harmonic unsteady theory, are evaluated by comparison with exact results obtained by the present approach. The Laplace inversion integral is employed to separate the loads into 'rational' and 'nonrational' parts, of which only the former are involved in aeroelastic stability of the wing. Among other suggestions for further work, it is explained how existing aerodynamic computer programs may be adapted in a fairly straightforward fashion to deal with arbitrary transients.

Edwards, J. W.↗
NASA NTRS1986

Theoretical studies of Resonance Enhance Stimulated Raman Scattering (RESRS) of frequency doubled Alexandrite laser wavelengths in cesium vapor

It is well known that the presence of a real atomic level which is nearly resonant with the pump field can greatly enhance the Raman emission cross section. In order to accurately calculate the Raman gain in systems where resonance enhancement plays a dominant role, expressions for the pump and signal susceptibilities must be derived. These expressions should be valid for arbitrary field strengths in order to allow for pump and signal saturation. In addition, the theory should allow for arbitrary longitudinal and transverse relaxation rates. This latter point is extremely vital for three level atomic systems such as the alkali earth metals since they do not have population reservoirs and can have widely varying spontaneous lifetimes on the three pertinent transitions. Moreover, the dephasing rates are strong functions of electron states and are therefore also different for the three coupled pairs of levels. These considerations are not as important when molecular systems are concerned since the large reservoir of rotational states serve to produce essentially equal longitudinal recovery rates for the population of the three levels. The three level system with three arbitrary longitudinal and transverse relaxation rates was solved. There is no need for setting either pair of rates equal and the expressions are valid for arbitrarily strong fields.

Lawandy, N. M.↗
NASA NTRS2008

An Analytical Model for the Prediction of a Micro-Dosimeter Response Function

A rapid analytical procedure for the prediction of a micro-dosimeter response function in low Earth orbit (LEO), correlated with the Space Transportation System (STS, shuttle) Tissue Equivalent Proportional Counter (TEPC) measurements is presented. The analytical model takes into consideration the energy loss straggling and chord length distribution of the detector, and is capable of predicting energy deposition fluctuations in a cylindrical micro-volume of arbitrary aspect ratio (height/diameter) by incoming ions through both direct and indirect (ray) events. At any designated (ray traced) target point within the vehicle, the model accepts the differential flux spectrum of Galactic Cosmic Rays (GCR) and/or trapped protons at LEO as input. On a desktop PC, the response function of TEPC for each ion in the GCR/trapped field is computed at the average rate of 30 seconds/ion. The ionizing radiation environment at LEO is represented by O'Neill fs GCR model (2004), covering charged particles in the 1 less than or equal to Z less than or equal to 28. O'Neill's free space GCR model is coupled with the Langley Research Center (LaRC) angular dependent geomagnetic cutoff model to compute the transmission coefficient in LEO. The trapped proton environment is represented by a LaRC developed time dependent procedure which couples the AP8MIN/AP8MAX, Deep River Neutron Monitor (DRNM) and F10.7 solar radio frequency measurements. The albedo neutron environment is represented by the extrapolation of the Atmospheric Ionizing Radiation (AIR) measurements. The charged particle transport calculations correlated with STS 51 and 114 flights are accomplished by using the most recent version (2005) of the LaRC deterministic High charge (Z) and Energy TRaNsport (HZETRN) code. We present the correlations between the TEPC model predictions (response function) and TEPC measured differential/integral spectra in the lineal energy (y) domain for both GCR and trapped protons, with the conclusion that the model correctly accounts for the increase in flux at low y values where energetic ions are the primary contributor. We further discuss that, even with the incorporation of angular dependency in the cutoffs, comparison of the GCR differential/integral flux between STS 51 and 114 TEPC measured data and current calculations indicates that there still exists an underestimation by the simulations at low to mid range y values. This underestimation is partly related the exclusion of the secondary pion particle production from the current version of HZETRN.

Badavi, Francis F.↗
NASA NTRS1985

A method for estimating the rolling moment due to spin rate for arbitrary planform wings

The application of aerodynamic theory for estimating the force and moments acting upon spinning airplanes is of interest. For example, strip theory has been used to generate estimates of the aerodynamic characteristics as a function of spin rate for wing-dominated configurations for angles of attack up to 90 degrees. This work, which had been limited to constant chord wings, is extended here to wings comprised of tapered segments. Comparison of the analytical predictions with rotary balance wind tunnel results shows that large discrepancies remain, particularly for those angles-of-attack greater than 40 degrees.

Poppen, W. A., Jr.↗
DOE OSTI2023

Loop corrections in Minkowski spacetime away from equilibrium. Part II. Finite-time results

Loop corrections to finite-time correlation functions in quantum field theories away from equilibrium can be calculated using the in-in path integral approach. In this paper, we calculate the unequal-time two-point correlator for different massless self-interacting scalar quantum field theories on a Minkowski background, starting the field evolution at an arbitrary initial time. We find the counterterms that need to be added to UV-renormalize the result, including usual in-out counterterms in the dynamics and additional initial state counterterms that are required to cancel all UV divergences. We find that the late-time limit of the renormalized correlation function exhibits a linear or logarithmic growth in time, depending on whether the interaction strength is dimension-one or dimensionless, respectively. The late-time correlations match those obtained in our companion paper and, as shown there, the divergences do not indicate a real IR issue, consistent with what one would expect in Minkowski.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Electrochemical grand potential-based phase-field simulation of electric field-assisted sintering

Here, an electrochemical grand potential functional was proposed to describe the sintering of an ionic ceramic green body. The resultant phase-field description enables simulation of the consolidation of an arbitrary number of granular particles and their interactions with the surrounding void phase. The model includes the effects of charged vacancies and the associated interactions between internal and applied electric fields. Defect segregation to grain boundaries is also accounted for, as well as enhanced interfacial defect mobilities. The model was parameterized for Y 2 O 3 . Simulations of two-particle systems showed that the applied electric field had an increasingly important impact on neck growth as particle size increased. A sudden rapid increase in temperature occurred for larger field strengths, which has been reported to be correlated to the onset of a flash event in flash sintering. Simulations of many particles showed that internal heat generation by Joule heating was localized at particle–particle contacts (grain boundaries), even though their conductivities were lower than nearby internal particle-void interfaces. A percolative path for ionic charge across the green body and the ceramic sintered solid was thus defined, accelerating the Joule heating process as the porosity of the green body is removed.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Theory of molecular emission power spectra. I. Macroscopic quantum electrodynamics formalism

In this work, we study the emission power spectrum of a molecular emitter with multiple vibrational modes in the framework of macroscopic quantum electrodynamics. The theory we present is general for a molecular spontaneous emission spectrum in the presence of arbitrary inhomogeneous, dispersive, and absorbing media. Moreover, the theory shows that the molecular emission power spectra can be decomposed into the electromagnetic environment factor and lineshape function. In order to demonstrate the validity of the theory, we investigate the lineshape function in two limits. In the incoherent limit (single molecules in a vacuum), the lineshape function exactly corresponds to the Franck–Condon principle. In the coherent limit (single molecules strongly coupled with single polaritons or photons) together with the condition of high vibrational frequency, the lineshape function exhibits a Rabi splitting, the spacing of which is exactly the same as the magnitude of exciton–photon coupling estimated by our previous theory [S. Wang et al., J. Chem. Phys. 151, 014105 (2019)]. Finally, we explore the influence of exciton–photon and electron–phonon interactions on the lineshape function of a single molecule in a cavity. The theory shows that the vibronic structure of the lineshape function does not always disappear as the exciton–photon coupling increases, and it is related to the loss of a dielectric environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

IPyOverlay

IPyOverlay is a Python library that provides several IPyWidget components for use within the Jupyter software ecosystem. These components add novel UI capabilities to enable details-on-demand interaction paradigms by providing the ability to render widgets on top of other widgets with arbitrary and controllable positioning. This capability enables adding click-and-draggable overlay windows containing other widgets, right-click context menus, and more complex tooltip functionality.

Martindale, Nathan [Oak Ridge National Laboratory ↗
DOE OSTI2022

Augmented Gaussian random field: Theory and computation

We propose the novel augmented Gaussian random field (AGRF), which is a universal framework incorporating the data of observable and derivatives of any order. Rigorous theory is established. We prove that under certain conditions, the observable and its derivatives of any order are governed by a single Gaussian random field, which is the aforementioned AGRF. As a corollary, the statement "the derivative of a Gaussian process remains a Gaussian process" is validated, since the derivative is represented by a part of the AGRF. Moreover, a computational method corresponding to the universal AGRF framework is constructed. Both noiseless and noisy scenarios are considered. Formulas of the posterior distributions are deduced in a nice closed form. A significant advantage of our computational method is that the universal AGRF framework provides a natural way to incorporate arbitrary order derivatives and deal with missing data. We use four numerical examples to demonstrate the effectiveness of the computational method. The numerical examples are composite function, damped harmonic oscillator, Korteweg-De Vries equation, and Burgers' equation.

Mathematics↗
NASA NTRS1972

Synthesis of stiffened conical shells.

The development of a method to effect the automated minimum weight design of ring and stringer stiffened shells is presented. Membrane theory is used for the shell prebuckling analysis. The buckling analysis is based upon an arbitrary shell of revolution computer program. The structural analysis includes both buckling and yielding modes of failure. The synthesis involves the coupling of an exterior penalty function with a method for the unconstrained minimization of a function comprised of a sum of squares. Results of the application of the method to the design of the Viking Aeroshell cone are presented. The least weight Viking Aeroshell appears to be an all magnesium shell with ring stiffeners of hollow circular cross section. Because the method incorporates a general shell of revolution buckling analysis, it can be readily modified and applied to the design of any axisymmetrically loaded uniformly stiffened shell of revolution for which a membrane prebuckling solution exists.

Thornton, W. A.↗
NASA NTRS1972

Lattice model calculation of elastic and thermodynamic properties at high pressure and temperature

The elastic constants and the entire frequency spectrum were calculated up to high pressure for the alkali halides in the NaCl lattice, based on an assumed functional form of the inter-atomic potential. The quasiharmonic approximation is used to calculate the vibrational contribution to the pressure and the elastic constants at arbitrary temperature. By explicitly accounting for the effect of thermal and zero point motion, the adjustable parameters in the potential are determined to a high degree of accuracy from the elastic constants and their pressure derivatives measured at zero pressure. The calculated Gruneisen parameter, the elastic constants and their pressure derivatives are in good agreement with experimental results up to about 600 K. The model predicts that for some alkali halides the Grunesen parameter may decrease monotonically with pressure, while for others it may increase with pressure, after an initial decrease.

Demarest, H. H., Jr.↗
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 NTRS1992

Advanced satellite communication system

The objective of this research program was to develop an innovative advanced satellite receiver/demodulator utilizing surface acoustic wave (SAW) chirp transform processor and coherent BPSK demodulation. The algorithm of this SAW chirp Fourier transformer is of the Convolve - Multiply - Convolve (CMC) type, utilizing off-the-shelf reflective array compressor (RAC) chirp filters. This satellite receiver, if fully developed, was intended to be used as an on-board multichannel communications repeater. The Advanced Communications Receiver consists of four units: (1) CMC processor, (2) single sideband modulator, (3) demodulator, and (4) chirp waveform generator and individual channel processors. The input signal is composed of multiple user transmission frequencies operating independently from remotely located ground terminals. This signal is Fourier transformed by the CMC Processor into a unique time slot for each user frequency. The CMC processor is driven by a waveform generator through a single sideband (SSB) modulator. The output of the coherent demodulator is composed of positive and negative pulses, which are the envelopes of the chirp transform processor output. These pulses correspond to the data symbols. Following the demodulator, a logic circuit reconstructs the pulses into data, which are subsequently differentially decoded to form the transmitted data. The coherent demodulation and detection of BPSK signals derived from a CMC chirp transform processor were experimentally demonstrated and bit error rate (BER) testing was performed. To assess the feasibility of such advanced receiver, the results were compared with the theoretical analysis and plotted for an average BER as a function of signal-to-noise ratio. Another goal of this SBIR program was the development of a commercial product. The commercial product developed was an arbitrary waveform generator. The successful sales have begun with the delivery of the first arbitrary waveform generator.

Staples, Edward J.↗
NASA NTRS1995

Aeroelastic stability of wind turbine blade/aileron systems

Aeroelastic stability analyses have been performed for the MOD-5A blade/aileron system. Various configurations having different aileron torsional stiffness, mass unbalance, and control system damping have been investigated. The analysis was conducted using a code recently developed by the General Electric Company - AILSTAB. The code extracts eigenvalues for a three degree of freedom system, consisting of: (1) a blade flapwise mode; (2) a blade torsional mode; and (3) an aileron torsional mode. Mode shapes are supplied as input and the aileron can be specified over an arbitrary length of the blade span. Quasi-steady aerodynamic strip theory is used to compute aerodynamic derivatives of the wing-aileron combination as a function of spanwise position. Equations of motion are summarized herein. The program provides rotating blade stability boundaries for torsional divergence, classical flutter (bending/torsion) and wing/aileron flutter. It has been checked out against fixed-wing results published by Theodorsen and Garrick. The MOD-5A system is stable with respect to divergence and classical flutter for all practical rotor speeds. Aileron torsional stiffness must exceed a minimum critical value to prevent aileron flutter. The nominal control system stiffness greatly exceeds this minimum during normal operation. The basic system, however, is unstable for the case of a free (or floating) aileron. The instability can be removed either by the addition of torsional damping or mass-balancing the ailerons. The MOD-5A design was performed by the General Electric Company, Advanced Energy Program Department under Contract DEN3-153 with NASA Lewis Research Center and sponsored by the Department of Energy.

Strain, J. C.↗