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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Coupling of Low Speed Fan Stator Vane Unsteady Pressures to Duct Modes: Measured versus Predicted

Uniform-flow annular-duct Green's functions are the essential elements of the classical acoustic analogy approach to the problem of computing the noise generated by rotor-stator interaction inside the fan duct. This paper investigates the accuracy of this class of Green's functions for predicting the duct noise levels when measured stator vane unsteady surface pressures are used as input to the theoretical formulation. The accuracy of the method is evaluated by comparing the predicted and measured acoustic power levels for the NASA 48 inch low speed Active Noise Control Fan. The unsteady surface pressures are measured,by an array of microphones imbedded in the suction and pressure sides of a single vane, while the duct mode levels are measured using a rotating rake system installed in the inlet and exhaust sections of the fan duct. The predicted levels are computed using properly weighted integrals of measured surface pressure distribution. The data-theory comparisons are generally quite good particularly when the mode cut-off criterion is carefully interpreted. This suggests that, at least for low speed fans, the uniform-flow annular-duct Green's function theory can be reliably used for prediction of duct mode levels if the cascade surface pressure distribution is accurately known.

Sutliff, Daniel L.↗
DOE OSTI2013

Crossing resonance of wave fields in a medium with an inhomogeneous coupling parameter

The dynamic susceptibilities (Green’s functions) of the system of two coupled wave fields of different physical natures in a medium with an arbitrary relation between the mean value ɛ and rms fluctuation Δɛ of the coupling parameter have been examined. The self-consistent approximation involving all diagrams with noncrossing correlation lines has been developed for the case where the initial Green’s function of the homogeneous medium describes the system of coupled wave fields. The analysis has been performed for spin and elastic waves. Expressions have been obtained for the diagonal elements G{sub mm} and G{sub uu} of the matrix Green’s function, which describe spin and elastic waves in the case of magnetic and elastic excitations, and for the off-diagonal elements G{sub mu} and G{sub um}, which describe these waves in the case of cross excitation. Change in the forms of these elements has been numerically studied for the case of one-dimensional inhomogeneities with an increase in Δɛ and with a decrease in ɛ under the condition that the sum of the squares of these quantities is conserved: two peaks in the frequency dependences of imaginary parts of G{sub mm} and G{sub uu} are broadened and then joined into one broad peak; a fine structure appears in the form of narrow resonance at the vertex of the Green’s function of one wave field and narrow antiresonance at the vertex of the Green’s function of the other field; peaks of the fine structure are broadened and then disappear with an increase in the correlation wavenumber of the inhomogeneities of the coupling parameter; and the amplitudes of the off-diagonal elements vanish in the limit ɛ → 0.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

On a Reduction of the Order in a Differential-Algebraic System

The conditions of solvability and the structure of a generalized Green operator of the Cauchy problem for a linear differential-algebraic system are found. The sufficient conditions of reducibility of a differential-algebraic equation to a sequence of systems joining differential and algebraic equations are constructed. An original classification and a single scheme of construction of the solutions of differentialalgebraic equations are proposed.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Low rank approximation in G 0 W 0 calculations

The single particle energies obtained in a Kohn-Sham density functional theory (DFT) calculation are generally known to be poor approximations to electron excitation energies that are measured in tr ansport, tunneling and spectroscopic experiments such as photo-emission spectroscopy. The correction to these energies can be obtained from the poles of a single particle Green’s function derived from a many-body perturbation theory. From a computational perspective, the accuracy and efficiency of such an approach depends on how a self energy term that properly accounts for dynamic screening of electrons is approximated. The G 0 W 0 approximation is a widely used technique in which the self energy is expressed as the convolution of a noninteracting Green’s function (G 0 ) and a screened Coulomb interaction (W 0 ) in the frequency domain. The computational cost associated with such a convolution is high due to the high complexity of evaluating W 0 at multiple frequencies. In this paper, we discuss how the cost of G 0 W 0 calculation can be reduced by constructing a low rank approximation to the frequency dependent part of W 0 . In particular, we examine the effect of such a low rank approximation on the accuracy of the G 0 W 0 approximation. We also discuss how the numerical convolution of G 0 and W 0 can be evaluated efficiently and accurately by using a contour deformation technique with an appropriate choice of the contour.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Shaping dark photon spectral distortions

The cosmic microwave background (CMB) spectrum is an extraordinary tool for exploring physics beyond the Standard Model. The exquisite precision of its measurement makes it particularly sensitive to small effects caused by hidden sector interactions. In particular, CMB spectral distortions can unveil the existence of dark photons which are kinetically coupled to the standard photon. In this work, we use the COBE-FIRAS dataset to derive accurate and robust limits on photon-to-dark-photon oscillations for a large range of dark photon masses, from 10$^{−10}$ to 10$^{−4}$ eV. We consider in detail the redshift dependence of the bounds, computing CMB distortions due to photon injection/removal using a Green’s function method. Our treatment improves on previous results, which had set limits studying energy injection/removal into baryons rather than photon injection/removal, or ignoring the redshift evolution of distortions. The difference between our treatment and previous ones is particularly noticeable in the predicted spectral shape of the distortions, a smoking gun signature for photon-to-dark-photon oscillations. The characterization of the spectral shape is crucial for future CMB missions, which could improve the present sensitivity by orders of magnitude, exploring regions of the dark photon parameter space that are otherwise difficult to access [inline-graphic not available: see fulltext].

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Power-transfer and fixed-point analysis of sawtooth simulations of a current-carrying stellarator

Power-transfer and fixed-point analysis of previous NIMROD simulations (Roberds et al. , Phys. Plasmas , vol. 23, issue 9, 2016, 092513) improved the understanding of the effect of 3D (non-axisymmetric equilibrium) magnetic fields on sawtooth oscillations in the Compact Toroidal Hybrid (CTH) experiment. Computing the locations of order-1 fixed points, their Greene's residues, and local values for the rotational transform results in a description of CTH sawteeth consistent with Kadomtsev's model. A power-transfer analysis quantifies the distribution of energy among toroidal Fourier modes and their nonlinear interactions. The Lorentz power transfer drives sawtooth growth, and it is unambiguously interpreted as the flow of energy from toroidal mode $n'$ to mode $n$ , catalysed by $\boldsymbol {B}_{n-n'}$ . It has been reported previously that the CTH sawtooth frequency increases with the 3D field strength. This is attributed to an increased growth rate of the internal kink that drives sawtooth oscillations. Here, 3D fields remove energy from the kink, eliminating the possibility that these fields are an additional energy source that drives growth. Instead, 3D fields catalyse energy transfer from large-to-small scales, where magnetic reconnection is stronger. It is proposed that this energy transfer increases the reconnection rate at small scales, which is consistent with the increased growth rate observed at higher 3D field strengths.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Suppression of one-dimensional weak localization by band asymmetry

Herein we investigate disorder-induced localization in metals that break time-reversal and inversion symmetries through their energy dispersion, ε k ≠ε– k , but lack Berry phases. In the perturbative regime of disorder, we show that weak localization is suppressed due to a mismatch of the Fermi velocities of left and right movers. To substantiate this analytical result, we perform quench numerics on chains shorter than the Anderson localization length ξ—the latter computed and verified to be finite using the recursive Green's function method—and find a sharp rise in the saturation value of the participation ratio due to band asymmetry, indicating a tendency to delocalize. Interestingly, for weak disorder strength η, we see a better fit to the scaling behavior ξ∝1/η 2 for asymmetric bands than conventional symmetric ones.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Viscosity of the magnetized strongly coupled one-component plasma

The viscosity tensor of the magnetized one-component plasma, consisting of five independent shear viscosity coefficients, a bulk viscosity coefficient, and a cross coefficient, is computed using equilibrium molecular dynamics simulations and the Green-Kubo relations. A broad range of Coulomb coupling and magnetization strength conditions are studied. Magnetization is found to strongly influence the shear viscosity coefficients when the gyrofrequency exceeds the Coulomb collision frequency. Three regimes are identified as the Coulomb coupling strength and magnetization strength are varied. Here, the Green-Kubo relations are used to separate kinetic and potential energy contributions to each viscosity coefficient, showing how each contribution depends upon the magnetization strength. The shear viscosity coefficient associated with the component of the pressure tensor parallel to the magnetic field, and the two coefficients associated with the component perpendicular to the magnetic field, are all found to merge to a common value at strong Coulomb coupling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Challenges and Solutions for Leave-One-Out Biosensor Design in the Context of a Rugged Fitness Landscape

The leave-one-out (LOO) green fluorescent protein (GFP) approach to biosensor design combines computational protein design with split protein reconstitution. LOO-GFPs reversibly fold and gain fluorescence upon encountering the target peptide, which can be redefined by computational design of the LOO site. Such an approach can be used to create reusable biosensors for the early detection of emerging biological threats. Enlightening biophysical inferences for nine LOO-GFP biosensor libraries are presented, with target sequences from dengue, influenza, or HIV, replacing beta strands 7, 8, or 11. An initially low hit rate was traced to components of the energy function, manifesting in the over-rewarding of over-tight side chain packing. Also, screening by colony picking required a low library complexity, but designing a biosensor against a peptide of at least 12 residues requires a high-complexity library. This double-bind was solved using a “piecemeal” iterative design strategy. Also, designed LOO-GFPs fluoresced in the unbound state due to unwanted dimerization, but this was solved by fusing a fully functional prototype LOO-GFP to a fiber-forming protein, Drosophila ultrabithorax, creating a biosensor fiber. One influenza hemagglutinin biosensor is characterized here in detail, showing a shifted excitation/emission spectrum, a micromolar affinity for the target peptide, and an unexpected photo-switching ability.

Chemistry↗
NASA NTRS2014

Estimation of Crop Gross Primary Production (GPP): I. Impact of MODIS Observation Footprint and Impact of Vegetation BRDF Characteristics

Accurate estimation of gross primary production (GPP) is essential for carbon cycle and climate change studies. Three AmeriFlux crop sites of maize and soybean were selected for this study. Two of the sites were irrigated and the other one was rainfed. The normalized difference vegetation index (NDVI), the enhanced vegetation index (EVI), the green band chlorophyll index (CIgreen), and the green band wide dynamic range vegetation index (WDRVIgreen) were computed from the moderate resolution imaging spectroradiometer (MODIS) surface reflectance data. We examined the impacts of the MODIS observation footprint and the vegetation bidirectional reflectance distribution function (BRDF) on crop daily GPP estimation with the four spectral vegetation indices (VIs - NDVI, EVI, WDRVIgreen and CIgreen) where GPP was predicted with two linear models, with and without offset: GPP = a × VI × PAR and GPP = a × VI × PAR + b. Model performance was evaluated with coefficient of determination (R2), root mean square error (RMSE), and coefficient of variation (CV). The MODIS data were filtered into four categories and four experiments were conducted to assess the impacts. The first experiment included all observations. The second experiment only included observations with view zenith angle (VZA) ≤ 35◦ to constrain growth of the footprint size,which achieved a better grid cell match with the agricultural fields. The third experiment included only forward scatter observations with VZA ≤ 35◦. The fourth experiment included only backscatter observations with VZA ≤ 35◦. Overall, the EVI yielded the most consistently strong relationships to daily GPP under all examined conditions. The model GPP = a × VI × PAR + b had better performance than the model GPP = a × VI × PAR, and the offset was significant for most cases. Better performance was obtained for the irrigated field than its counterpart rainfed field. Comparison of experiment 2 vs. experiment 1 was used to examine the observation footprint impact whereas comparison of experiment 4 vs. experiment 3 was used to examine the BRDF impact. Changes in R2, RMSE,CV and changes in model coefficients "a" and "b" (experiment 2 vs. experiment 1; and experiment 4 vs. experiment 3) were indicators of the impacts. The second experiment produced better performance than the first experiment, increasing R2 (↑0.13) and reducing RMSE (↓0.68 g C m−2 d−1) and CV (↓9%). For each VI, the slope of GPP = a × VI × PAR in the second experiment for each crop type changed little while the slope and intercept of GPP = a × VI × PAR + b varied field by field. The CIgreen was least affected by the MODIS observation footprint in estimating crop daily GPP (R2, ↑0.08; RMSE, ↓0.42 g C m−2 d−1; and CV, ↓7%). Footprint most affected the NDVI (R2, ↑0.15; CV, ↓10%) and the EVI (RMSE, ↓0.84 g C m−2 d−1). The vegetation BRDF impact also caused variation of model performance and change of model coefficients. Significantly different slopes were obtained for forward vs. backscatter observations, especially for the CIgreen and the NDVI. Both the footprint impact and the BRDF impact varied with crop types, irrigation options, model options and VI options.

Chlorophyll↗
DOE OSTI2014

Communication: Energy-dependent resonance broadening in symmetric and asymmetric molecular junctions from an ab initio non-equilibrium Green's function approach

The electronic structure of organic-inorganic interfaces often features resonances originating from discrete molecular orbitals coupled to continuum lead states. An example is molecular junction, individual molecules bridging electrodes, where the shape and peak energy of such resonances dictate junction conductance, thermopower, I-V characteristics, and related transport properties. In molecular junctions where off-resonance coherent tunneling dominates transport, resonance peaks in the transmission function are often assumed to be Lorentzian functions with an energy-independent broadening parameter Γ. Here we define a new energy-dependent resonance broadening function, Γ(E), based on diagonalization of non-Hermitian matrices, which can describe resonances of a more complex, non-Lorentzian nature and can be decomposed into components associated with the left and right leads, respectively. We compute this quantity via an ab initio non-equilibrium Green's function (NEGF) approach based on density functional theory (DFT) for both symmetric and asymmetric molecular junctions, and show that our definition of Γ(E), when combined with Breit-Wigner formula, reproduces the transmission calculated from DFT-NEGF. Through a series of examples, we illustrate how this approach can shed new light on experiments and understanding of junction transport properties in terms of molecular orbitals.

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

Stable evaluation of Green's functions in cylindrically stratified regions with uniaxial anisotropic layers

We present a robust algorithm for the computation of electromagnetic fields radiated by point sources (Hertzian dipoles) in cylindrically stratified media where each layer may exhibit material properties (permittivity, permeability, and conductivity) with uniaxial anisotropy. Analytical expressions are obtained based on the spectral representation of the tensor Green's function based on cylindrical Bessel and Hankel eigenfunctions, and extended for layered uniaxial media. Due to the poor scaling of these eigenfunctions for extreme arguments and/or orders, direct numerical evaluation of such expressions can produce numerical instability, i.e., underflow, overflow, and/or round-off errors under finite precision arithmetic. To circumvent these problems, we develop a numerically stable formulation through suitable rescaling of various expressions involved in the computational chain, to yield a robust algorithm for all parameter ranges. Numerical results are presented to illustrate the robustness of the formulation including cases of practical interest.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

A fast Fourier transform-based solver for elastic micropolar composites

This work presents a spectral micromechanical formulation for obtaining the full-field and homogenized response of elastic micropolar composites. The algorithm relies on a coupled set of convolution integral equations for the micropolar strains, where periodic Green’s operators associated with a linear homogeneous reference medium are convolved with functions of the Cauchy and couple stress fields that encode the material’s heterogeneity, as well as any potential material nonlinearity. Such convolution integral equations take an algebraic form in the reciprocal Fourier space that can be solved iteratively. In this vein, the fast Fourier transform (FFT) algorithm is leveraged to accelerate the numerical solution, resulting in a mesh-free formulation in which the periodic unit cell representing the heterogeneous material can be discretized by a regular grid of pixels in two dimensions (or voxels in three dimensions). For verification, the numerical solutions obtained with the micropolar FFT solver are compared with analytical solutions for a matrix with a dilute circular inclusion subjected to plane strain loading. The developed computational framework is then used to study length-scale effects and effective (micropolar) moduli of composites with various topological configurations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

A complex guided spectral transform Lanczos method for studying quantum resonance states

A complex guided spectral transform Lanczos (cGSTL) algorithm is proposed to compute both bound and resonance states including energies, widths, and wavefunctions. The algorithm comprises of two layers of complex-symmetric Lanczos iterations. A short inner layer iteration produces a set of complex formally orthogonal Lanczos polynomials. They are used to span the guided spectral transform function determined by a retarded Green operator. An outer layer iteration is then carried out with the transform function to compute the eigen-pairs of the system. The guided spectral transform function is designed to have the same wavefunctions as the eigenstates of the original Hamiltonian in the spectral range of interest. Therefore, the energies and/or widths of bound or resonance states can be easily computed with their wavefunctions or by using a root-searching method from the guided spectral transform surface. The new cGSTL algorithm is applied to bound and resonance states of HO{sub 2}, and compared to previous calculations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1991

Green's function solution to radiative heat transfer between longitudinal gray fins

A demonstration is presented of the applicability and versatility of a pure integral formulation for radiative-conductive heat-transfer problems. Preliminary results have been obtained which indicate that this formulation allows an accurate, fast, and stable computation procedure to be implemented. Attention is given to the accessory problem defining Green's function.

Frankel, J. I.↗
DOE OSTI2019

Balar: A SST GPU Component for Performance Modeling and Profiling

Programmable accelerators have become commonplace in modern computing systems. Advances in programming models and the availability of massive amounts of data have created a space for massively parallel accelerators capable of maintaining context for thousands of concurrent threads resident on-chip. These threads are grouped and interleaved on a cycle-by-cycle basis among several massively parallel computing cores. One path for the design of future supercomputers relies on an ability to model the performance of these massively parallel cores at scale. The SST framework has been proven to scale up to run simulations containing tens of thousands of nodes. A previous report described the initial integration of the open-source, execution-driven GPU simulator, GPGPU-Sim, into the SST framework. This report discusses the results of the integration and how to use the new GPU component in SST. It also provides examples of what it can be used to analyze and a correlation study showing how closely the execution matches that of a Nvidia V100 GPU when running kernels and mini-apps.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1978

Time-domain Green's Function Method for three-dimensional nonlinear subsonic flows

The Green's Function Method for linearized 3D unsteady potential flow (embedded in the computer code SOUSSA P) is extended to include the time-domain analysis as well as the nonlinear term retained in the transonic small disturbance equation. The differential-delay equations in time, as obtained by applying the Green's Function Method (in a generalized sense) and the finite-element technique to the transonic equation, are solved directly in the time domain. Comparisons are made with both linearized frequency-domain calculations and existing nonlinear results.

Tseng, K.↗