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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Single-particle spectral density of a Bose gas in the two-fluid hydrodynamic regime

In Bose superfluids, the single-particle Green's function can be directly related to the superfluid velocity-velocity correlation function in the hydrodynamic regime. An explicit expression for the single-particle spectral density was originally written down by Hohenberg and Martin in 1965, starting from the two-fluid equations for a superfluid. We give a simple derivation of their results. Using these results, we calculate the relative weights of first and second sound modes in the single-particle spectral density as a function of temperature in a uniform Bose gas. We show that the second sound mode makes a dominant contribution to the single-particle spectrum in a relatively high-temperature region. We also discuss the possibility of experimental observation of the second sound mode in a Bose gas by photoemission spectroscopy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

The Effects of Atmospheric Models on the Estimation of Infrasonic Source Functions at the Source Physics Experiment

We invert infrasound signals for an equivalent seismoacoustic source function using different atmospheric models to produce the necessary Green’s functions. The infrasound signals were produced by a series of underground chemical explosions as part of the Source Physics Experiment (SPE). In a previous study, we inverted the infrasound data using so-called predictive atmospheric models, which were based on historic, regional-scaled, publicly available weather observations interpolated onto a 3D grid. For the work presented here, we invert the same infrasound data, but using atmospheric models based on weather data collected in a time window that includes the approximate time of the explosion experiments, which we term postdictive models. We build two versions of the postdictive models for each SPE event: one that is based solely on the regional scaled observations, and one that is based on both regional scaled observations combined with on-site observations obtained by a weather sonde released at the time of the SPE. We then invert the observed data set three times, once for each atmospheric model type. We find that the estimated seismoacoustic source functions are relatively similar in waveform shape regardless of which atmospheric model that we used to construct the Green’s functions. However, we find that the amplitude of the estimated source functions is systematically dependent on the atmospheric model type: using the predictive atmospheric models to invert the data generally yields estimated source functions that are larger in amplitude than those estimated using the postdictive models.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1975

The generation of gravitational waves. I - Weak-field sources

This paper derives and summarizes a 'plug-in-and-grind' formalism for calculating the gravitational waves emitted by any system with weak internal gravitational fields. If the internal fields have negligible influence on the system's motions, the formalism reduces to standard 'linearized theory'. Independent of the effects of gravity on the motions, the formalism reduces to the standard 'quadrupole-moment formalism' if the motions are slow and internal stresses are weak. In the general case, the formalism expresses the radiation in terms of a retarded Green's function for slightly curved spacetime and breaks the Green's function integral into five easily understood pieces: direct radiation, produced directly by the motions of the source; whump radiation, produced by the 'gravitational stresses' of the source; transition radiation, produced by a time-changing time delay ('Shapiro effect') in the propagation of the nonradiative 1/r field of the source; focusing radiation, produced when one portion of the source focuses, in a time-dependent way, the nonradiative field of another portion of the source; and tail radiation, produced by 'back-scatter' of the nonradiative field in regions of focusing.

Thorne, K. S.↗
NASA NTRS2000

Electromagnetic Field Penetration Studies

A numerical method is presented to determine electromagnetic shielding effectiveness of rectangular enclosure with apertures on its wall used for input and output connections, control panels, visual-access windows, ventilation panels, etc. Expressing EM fields in terms of cavity Green's function inside the enclosure and the free space Green's function outside the enclosure, integral equations with aperture tangential electric fields as unknown variables are obtained by enforcing the continuity of tangential electric and magnetic fields across the apertures. Using the Method of Moments, the integral equations are solved for unknown aperture fields. From these aperture fields, the EM field inside a rectangular enclosure due to external electromagnetic sources are determined. Numerical results on electric field shielding of a rectangular cavity with a thin rectangular slot obtained using the present method are compared with the results obtained using simple transmission line technique for code validation. The present technique is applied to determine field penetration inside a Boeing-757 by approximating its passenger cabin as a rectangular cavity filled with a homogeneous medium and its passenger windows by rectangular apertures. Preliminary results for, two windows, one on each side of fuselage were considered. Numerical results for Boeing-757 at frequencies 26 MHz, 171-175 MHz, and 428-432 MHz are presented.

Deshpande, M.D.↗
DOE OSTI2017

LSMS

LSMS is a first principles, Density Functional theory based, electronic structure code targeted mainly at materials applications. LSMS calculates the local spin density approximation to the diagonal part of the electron Green's function. The electron/spin density and energy are easily determined once the Green's function is known. Linear scaling with system size is achieved in the LSMS by using several unique properties of the real space multiple scattering approach to the Green's function.

Eisenbach, Markus↗
DOE OSTI2020

NESSi : The N on- E quilibrium S ystems S imulation package

The nonequilibrium dynamics of correlated many-particle systems is of interest in connection with pump–probe experiments on molecular systems and solids, as well as theoretical investigations of transport properties and relaxation processes. Nonequilibrium Green’s functions are a powerful tool to study interaction effects in quantum many-particle systems out of equilibrium, and to extract physically relevant information for the interpretation of experiments. Here, we present the open-source software package NESSi (The Non-Equilibrium Systems Simulation package) which allows to perform many-body dynamics simulations based on Green’s functions on the L-shaped Kadanoff–Baym contour. NESSi contains the library libcntr which implements tools for basic operations on these nonequilibrium Green’s functions, for constructing Feynman diagrams, and for the solution of integral and integro-differential equations involving contour Green’s functions. The library employs a discretization of the Kadanoff–Baym contour into time points and a high-order implementation of integration routines. The total integrated error scales up to $\mathcal{O}(N^{-7})$, which is important since the numerical effort increases at least cubically with the simulation time. A distributed-memory parallelization over reciprocal space allows large-scale simulations of lattice systems. We provide a collection of example programs ranging from dynamics in simple two-level systems to problems relevant in contemporary condensed matter physics, including Hubbard clusters and Hubbard or Holstein lattice models. The libcntr library is the basis of a follow-up software package for nonequilibrium dynamical mean-field theory calculations based on strong-coupling perturbative impurity solvers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Nitrogen doped carbon quantum dots as a green luminescent sensitizer to functionalize ZnO nanoparticles for enhanced photovoltaic conversion devices

Highlights: • Hydrothermal synthesis for highly green luminescent nitrogen doped carbon quantum dots (NCQDs) was proposed. • ZnO NPs were prepared by CTAB assisted low temperature reaction method. • High green luminescence was observed from NCQDs. • NCQDs are applied as light harvesting material in ZnO photoanodes. • Enhanced photoconversion efficiency was observed with NCQDs. - Abstract: A simple and facile hydrothermal approach for the synthesis of highly green luminescent nitrogen doped carbon quantum dots (NCQDs) is reported. The prepared NCQDs show narrow size distribution of 2–3 nm, abundant surface functional groups and good water solubility. To showcase the potential of these NCQDs as a solar light harvesting material, we designed NCQDs sensitized ZnO nanoparticles based photoanodes for photovoltaic solar cells. As a result, NCQDs sensitized ZnO photoanodes exhibited 75% higher photoconversion efficiency when compared to that of bare ZnO photoanodes. The characterization and optical properties of NCQDs sensitized ZnO photoanodes is also discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Tight-Binding Theoretical Study of the Tunneling Conductance in Ferromagnetically Ordered Graphene-on-Substrate

We report here a tight-binding theoretical study of the tunneling conductance and temperature dependent specific heat of graphene-on-substrate. The Hamiltonian consists of the electron hoppings up to third nearest neighbors in the presence of doping and on-site Coulomb interactions at two sub-lattices of honey-comb lattice. The total Hamiltonian is solved by Zubarev Green’s functions technique. Then, the sub-lattice magnetizations, tunneling conductance, and specific heat are calculated from the Green’s functions and are computed numerically. The effect of impurity, substrate induced gap, and repulsive Coulomb potential on tunneling conductance is discussed. The anomaly in specific heat at low temperatures is described.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Modeling ion sensing in molecular electronics

We examine the ability of molecules to sense ions by measuring the change in molecular conductance in the presence of such charged species. The detection of protons (H{sup +}), alkali metal cations (M{sup +}), calcium ions (Ca{sup 2+}), and hydronium ions (H{sub 3}O{sup +}) is considered. Density functional theory (DFT) is used within the Keldysh non-equilibrium Green's function framework (NEGF) to model electron transport properties of quinolinedithiol (QDT, C{sub 9}H{sub 7}NS{sub 2}), bridging Al electrodes. The geometry of the transport region is relaxed with DFT. The transport properties of the device are modeled with NEGF-DFT to determine if this device can distinguish among the M{sup +} + QDT species containing monovalent cations, where M{sup +} = H{sup +}, Li{sup +}, Na{sup +}, or K{sup +}. Because of the asymmetry of QDT in between the two electrodes, both positive and negative biases are considered. The electron transmission function and conductance properties are simulated for electrode biases in the range from −0.5 V to 0.5 V at increments of 0.1 V. Scattering state analysis is used to determine the molecular orbitals that are the main contributors to the peaks in the transmission function near the Fermi level of the electrodes, and current-voltage relationships are obtained. The results show that QDT can be used as a proton detector by measuring transport through it and can conceivably act as a pH sensor in solutions. In addition, QDT may be able to distinguish among different monovalent species. This work suggests an approach to design modern molecular electronic conductance sensors with high sensitivity and specificity using well-established quantum chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Electromagnetic response of C 12 : A first-principles calculation

Here, the longitudinal and transverse electromagnetic response functions of $^{12}$C are computed in a ``first-principles'' Green's function Monte Carlo calculation, based on realistic two- and three-nucleon interactions and associated one- and two-body currents. We find excellent agreement between theory and experiment and, in particular, no evidence for the quenching of measured versus calculated longitudinal response. This is further corroborated by a re-analysis of the Coulomb sum rule, in which the contributions from the low-lying $J^\pi\,$=$\, 2^+$, $0^+$ (Hoyle), and $4^+$ states in $^{12}$C are accounted for explicitly in evaluating the total inelastic strength.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Effect of impurity doping on tunneling conductance in AB-stacked bi-layer graphene: A tight-binding study

We report here a microscopic tight-binding model calculation for AB-stacked bilayer graphene in presence of biasing potential between the two layers and the impurity effects to study the evolution of the total density of states with special emphasis on opening of band gap near Dirac point. We have calculated the electron Green’s functions for both the A and B sub-lattices by Zubarev technique. The imaginary part of the Green’s function gives the partial and total density of states of electrons. The density of states are computed numerically for 1000 × 1000 grid points of the electron momentum. The evolution of the opening of band gap near van-Hove singularities as well as near Dirac point is investigated by varying the different interlayer hoppings and the biasing potentials. The inter layer hopping splits the density of states at van-Hove singularities and produces a V-shaped gap near Dirac point. Further the biasing potential introduces a U shaped gap near Dirac point with a density minimum at the applied potential(i.e. at V/2).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Accurate numerical, integral methods for computing drift-kinetic Trubnikov-Rosenbluth potentials

A novel numerical method is employed to compute the integral form of the axi-symmetric Trubnikov-Rosenbluth potentials. Two methods for quadrature in pitch-angle are described and their convergence properties are studied. Careful attention is given to quadrature over a singular Green's function. Here it is shown that an infinite series representation of the Green's function can be used more efficiently than its closed form involving complete elliptic integrals. Then a collocation method in speed, with its associated quadrature scheme, is laid out and its convergence properties are studied. Using the proposed scheme, accurate low-order moments of the field collision operator are obtained using relatively few velocity space degrees of freedom. The scheme is showcased by solving for the equilibrium, axi-symmetric bootstrap current in tokamaks. A C 0 Gauss-Lobatto-Legendre finite element pitch-angle basis with vertex nodes at the trapped/passing boundary is shown, in the context of the integral methods used, to be much more efficient than the more common Legendre polynomial expansion.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

A new approach to analytic, non-perturbative and gauge-invariant QCD

Following a previous calculation of quark scattering in eikonal approximation, this paper presents a new, analytic and rigorous approach to the calculation of QCD phenomena. In this formulation a basic distinction between the conventional 'idealistic' description of QCD and a more 'realistic' description is brought into focus by a non-perturbative, gauge-invariant evaluation of the Schwinger solution for the QCD generating functional in terms of the exact Fradkin representations of Green's functional G{sub c}(x,y|A) and the vacuum functional L[A]. Because quarks exist asymptotically only in bound states, their transverse coordinates can never be measured with arbitrary precision; the non-perturbative neglect of this statement leads to obstructions that are easily corrected by invoking in the basic Lagrangian a probability amplitude which describes such transverse imprecision. The second result of this non-perturbative analysis is the appearance of a new and simplifying output called 'Effective Locality', in which the interactions between quarks by the exchange of a 'gluon bundle'-which 'bundle' contains an infinite number of gluons, including cubic and quartic gluon interactions-display an exact locality property that reduces the several functional integrals of the formulation down to a set of ordinary integrals. It should be emphasized that 'non-perturbative' here refers to the effective summation of all gluons between a pair of quark lines-which may be the same quark line, as in a self-energy graph-but does not (yet) include a summation over all closed-quark loops which are tied by gluon-bundle exchange to the rest of the 'Bundle Diagram'. As an example of the power of these methods we offer as a first analytic calculation the quark-antiquark binding potential of a pion, and the corresponding three-quark binding potential of a nucleon, obtained in a simple way from relevant eikonal scattering approximations. A second calculation, analytic, non-perturbative and gauge-invariant, of a nucleon-nucleon binding potential to form a model deuteron, will appear separately. - Highlights: Black-Right-Pointing-Pointer An analytic, non-perturbative and gauge-invariant formulation for QCD processes. Black-Right-Pointing-Pointer A new property called Effective Locality appears in the QCD fermionic amplitudes. Black-Right-Pointing-Pointer An effective quark-antiquark and 3-quark binding potential is obtained. Black-Right-Pointing-Pointer A single 'gluon bundle' replaces the sum of an infinite number of Feynman graphs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS2015

A Model for Jet-Surface Interaction Noise Using Physically Realizable Upstream Turbulence Conditions

This paper is a continuation of previous work in which a generalized Rapid Distortion Theory (RDT) formulation was used to model low-frequency trailing-edge noise. The research was motivated by proposed next-generation aircraft configurations where the exhaust system is tightly integrated with the airframe. Data from recent experiments at NASA on the interaction between high-Reynolds-number subsonic jet flows and an external flat plate showed that the power spectral density (PSD) of the far-field pressure underwent considerable amplification at low frequencies. For example, at the 900 observation angle, the low-frequency noise could be as much as 10dB greater than the jet noise itself. In this paper, we present predictions of the noise generated by the interaction of a rectangular jet with the trailing edge of a semi-infinite flat plate. The calculations are based on a formula for the acoustic spectrum of this noise source derived from an exact formal solution of the linearized Euler equations involving (in this case) one arbitrary convected scalar quantity and a Rayleigh equation Green's function. A low-frequency asymptotic approximation for the Green's function based on a two-dimensional mean flow is used in the calculations along with a physically realizable upstream turbulence spectrum, which includes a finite de-correlation region. Numerical predictions, based on three-dimensional RANS solutions for a range of subsonic acoustic Mach number jets and nozzle aspect ratios are compared with experimental data. Comparisons of the RANS results with flow data are also presented for selected cases. We find that a finite decorrelation region increases the low-frequency algebraic decay (the low frequency "rolloff") of the acoustic spectrum with angular frequency thereby producing much closer agreement with noise data for Strouhal numbers less than 0.1. Secondly, the large-aspectratio theory is able to predict the low-frequency amplification due to the jet-edge interaction reasonably well, even for moderate aspect ratio nozzles. We show also that the noise predictions for smaller aspect ratio jets can be fine-tuned using the appropriate RANS-based mean flow and turbulence properties.

Jet↗
NASA NTRS2015

A Model for Jet-Surface Interaction Noise Using Physically Realizable Upstream Turbulence Conditions

This paper is a continuation of previous work in which a generalized Rapid Distortion Theory (RDT) formulation was used to model low-frequency trailing-edge noise. The research was motivated by proposed next-generation aircraft configurations where the exhaust system is tightly integrated with the airframe. Data from recent experiments at NASA on the interaction between high-Reynolds-number subsonic jet flows and an external flat plate showed that the power spectral density (PSD) of the far-field pressure underwent considerable amplification at low frequencies. For example, at the 900 observation angle, the low-frequency noise could be as much as 10dB greater than the jet noise itself. In this paper, we present predictions of the noise generated by the interaction of a rectangular jet with the trailing edge of a semi-infinite flat plate. The calculations are based on a formula for the acoustic spectrum of this noise source derived from an exact formal solution of the linearized Euler equations involving (in this case) one arbitrary convected scalar quantity and a Rayleigh equation Green's function. A low-frequency asymptotic approximation for the Green's function based on a two-dimensional mean flow is used in the calculations along with a physically realizable upstream turbulence spectrum, which includes a finite de-correlation region. Numerical predictions, based on three-dimensional RANS solutions for a range of subsonic acoustic Mach number jets and nozzle aspect ratios are compared with experimental data. Comparisons of the RANS results with flow data are also presented for selected cases. We find that a finite decorrelation region increases the low-frequency algebraic decay (the low frequency "rolloff") of the acoustic spectrum with angular frequency thereby producing much closer agreement with noise data for Strouhal numbers less than 0.1. Secondly, the large-aspectratio theory is able to predict the low-frequency amplification due to the jet-edge interaction reasonably well, even for moderate aspect ratio nozzles. We show also that the noise predictions for smaller aspect ratio jets can be fine-tuned using the appropriate RANS-based mean flow and turbulence properties.

Aircraft↗
NASA NTRS2016

A Model for Jet-Surface Interaction Noise Using Physically Realizable Upstream Turbulence Conditions

This paper is a continuation of previous work in which a generalized Rapid Distortion Theory (RDT) formulation was used to model low-frequency trailing-edge noise. The research was motivated by proposed next-generation aircraft configurations where the exhaust system is tightly integrated with the airframe. Data from recent experiments at NASA on the interaction between high-Reynolds-number subsonic jet flows and an external flat plate showed that the power spectral density (PSD) of the far-field pressure underwent considerable amplification at low frequencies. For example, at the 90deg observation angle, the low-frequency noise could be as much as 10 dB greater than the jet noise itself. In this paper, we present predictions of the noise generated by the interaction of a rectangular jet with the trailing edge of a semi-infinite flat plate. The calculations are based on a formula for the acoustic spectrum of this noise source derived from an exact formal solution of the linearized Euler equations involving (in this case) one arbitrary convected scalar quantity and a Rayleigh equation Green's function. A low-frequency asymptotic approximation for the Green's function based on a two-dimensional mean flow is used in the calculations along with a physically realizable upstream turbulence spectrum, which includes a finite decorrelation region. Numerical predictions of the sound field, based on three-dimensional RANS solutions to determine the mean flow, turbulent kinetic energy and turbulence length and time scales, for a range of subsonic acoustic Mach number jets and nozzle aspect ratios are compared with experimental data. Comparisons of the RANS results with flow data are also presented for selected cases. We find that a finite decorrelation region in the turbulence spectrum increases the low-frequency algebraic decay (the low frequency "roll-off") of the acoustic spectrum with angular frequency thereby producing much closer agreement with noise data for Strouhal numbers less than 0.1. Secondly, the large-aspect-ratio theory is able to predict the low-frequency amplification due to the jet-edge interaction reasonably well, even for moderate aspect ratio nozzles. We show also that the noise predictions for smaller aspect ratio jets can be fine-tuned using the appropriate RANS-based mean flow and turbulence properties.

Jet↗