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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
NASA NTRS1973

Monitoring the vernal advancement and retrogradation (green wave effect) of natural vegetation

The author has identified the following significant results. The Great Plains Corridor rangeland project utilizes natural vegetation systems as phenological indicators of seasonal development and climatic effects upon regional growth conditions. A method has been developed for quantitative measurement of vegetation conditions over broad regions using ERTS-1 MSS data. Radiance values recorded in ERTS-1 spectral bands 5 and 7, corrected for sun angle, are used to compute a band ratio parameter which is shown to be correlated with green biomass and vegetation moisture content. This report details the progress being made toward determining factors associated with the transformed vegetation index (TVI) and limitations on the method. During the first year of ERTS-1 operation (cycles 1-20), an average of 50% usable ERTS-1 data was obtained for the ten Great Plains Corridor test sites.

Rouse, J. W., Jr.↗
DOE OSTI2015

HPC Test Results Analysis with Splunk

This PowerPoint presentation details Los Alamos National Laboratory’s (LANL) outstanding computing division. LANL’s high performance computing (HPC) aims at having the first platform large and fast enough to accommodate resolved 3D calculations for full scale end-to-end calculations. Strategies for managing LANL’s HPC division are also discussed.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1995

Efficient modeling of interconnects and capacitive discontinuities in high-speed digital circuits

Modeling of interconnects and associated discontinuities with the recent advances high-speed digital circuits has gained a considerable interest over the last decade although the theoretical bases for analyzing these structures were well-established as early as the 1960s. Ongoing research at the present time is focused on devising methods which can be applied to more general geometries than the ones considered in earlier days and, at the same time, improving the computational efficiency and accuracy of these methods. In this thesis, numerically efficient methods to compute the transmission line parameters of a multiconductor system and the equivalent capacitances of various strip discontinuities are presented based on the quasi-static approximation. The presented techniques are applicable to conductors embedded in an arbitrary number of dielectric layers with two possible locations of ground planes at the top and bottom of the dielectric layers. The cross-sections of conductors can be arbitrary as long as they can be described with polygons. An integral equation approach in conjunction with the collocation method is used in the presented methods. A closed-form Green's function is derived based on weighted real images thus avoiding nested infinite summations in the exact Green's function; therefore, this closed-form Green's function is numerically more efficient than the exact Green's function. All elements associated with the moment matrix are computed using the closed-form formulas. Various numerical examples are considered to verify the presented methods, and a comparison of the computed results with other published results showed good agreement.

Oh, K. S.↗
DOE OSTI2020

Two-particle correlation functions in cluster perturbation theory: Hubbard spin susceptibilities

Cluster perturbation theory (CPT) is a computationally economic method commonly used to estimate the momentum- and energy-resolved single-particle Green's function. It has been used extensively in direct comparisons with experiments that effectively measure the single-particle Green's function, e.g., angle-resolved photoemission spectroscopy. However, many experimental observables are given by two-particle correlation functions. CPT can be extended to compute two-particle correlation functions by approximately solving the Bethe-Salpeter equation. We implement this method and focus on the transverse spin susceptibility, measurable via inelastic neutron scattering or with optical probes of atomic gases in optical lattices. Finally, we benchmark the method with the one-dimensional Fermi-Hubbard model by comparing with known results.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Approximate Green’s Function Coupled Cluster A Method Employing Effective Dimension Reduction

The Green’s function coupled cluster (GFCC) method, originally proposed in the early 1990s, is a powerful many-body tool for computing and analyzing the electronic structures of molecular structures and periodic systems, especially when electrons are strongly correlated. However, in order for the GFCC method to become an approach that can be routinely used in the electronic structure calculations, more robust linear algebraic techniques and approximations need to be employed to reduce its extremely high computational overhead. In our recent studies, we showed that the GFCC equation can be numerically solved by seeking solutions of multiple linear systems in the frequency regime of interest, which can be easily distributed in a massively parallel environment, and broaden the avenue for more state-of-the-art numerical linear algebraic tools associated with multiple linear systems to be kicked in to this field. In the present pursuit of this practice, we show a successful application of model order reduction (MOR) techniques in the GFCC framework. Briefly speaking, for a frequency regime of interest that requires a high resolution of spectral function, instead of solving GFCC linear equation in the original dimension for every single frequency point, an easily-solvable linear system model with reduced dimension can be built upon projecting the original GFCC linear system into a subspace, from which the interpolation and extrapolation can give a reasonable approximation to the results of the original GFCC linear equations. Here, we show that the subspace can be properly constructed in an iterative manner from the auxiliary vectors of the GFCC linear equations at some select frequencies inside the frequency regime. During the iterations, the quality of the subspace, as well as the linear system model, can be systematically improved. The approach is tested in this work in terms of the efficiency and accuracy of computing spectral functions for some typical molecular systems including carbon monoxide, 1,3-butadiene, benzene, and adenine molecules. As a byproduct, the high quality linear system model is also found to be able to provide high quality initial guess for the existing linear solver to improve the convergence performance.

Peng, Bo↗
DOE OSTI2021

Spectral Denoising for Accelerated Analysis of Correlated Ionic Transport

Computation of correlated ionic transport properties from molecular dynamics in the Green-Kubo formalism is expensive, as one cannot rely on the affordable mean square displacement approach. We use spectral decomposition of the short-time ionic displacement covariance to learn a set of diffusion eigenmodes that encode the correlation structure and form a basis for analyzing the ionic trajectories. This allows systematic reduction of the uncertainty and accelerate computations of ionic conductivity in systems with a steady-state correlation structure. We provide mathematical and numerical proofs of the method’s robustness and demonstrate it on realistic electrolyte materials.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

Electromagnetic and neutral-weak response functions of 4 He and 12 C

A major goal of nuclear theory is to understand the strong interaction in nuclei as it manifests itself in terms of two- and many-body forces among the nuclear constituents, the protons and neutrons, and the interactions of these constituents with external electroweak probes via one- and many-body currents. The objective of the present work is to calculate the quasielastic electroweak response functions in light nuclei within the realistic dynamical framework outlined above. These response functions determine the inclusive cross section as function of the lepton momentum and energy transfers. Their ab initio calculation is a very challenging quantum many-body problem, since it requires summation over the entire excitation spectrum of the nucleus and inclusion in the electroweak currents of one- and many-body terms. Green's functions Monte Carlo methods allow one to circumvent both difficulties by computing the response in imaginary time (the so-called Euclidean response) and hence summing implicitly over the bound and continuum states of the nucleus, and by implementing specific algorithms designed to deal with the complicated spin-isospin structure of nuclear many-body operators. Theoretical predictions for 4 He and 12 C, confirmed by experiment in the electromagnetic case, show that two-body currents generate excess transverse strength from threshold to the quasielastic to the dip region and beyond. In conclusion, these results challenge the conventional picture of quasielastic inclusive scattering as being largely dominated by single-nucleon knockout processes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

A Multifunctional Cosolvent Pair Reveals Molecular Principles of Biomass Deconstruction

The complex structure of plant cell walls resists chemical or biological degradation, challenging the breakdown of lignocellulosic biomass into renewable chemical precursors that could form the basis of future production of green chemicals and transportation fuels. In this report, experimental and computational results reveal that the effect of the tetrahydrofuran (THF)–water cosolvents on the structure of lignin and on its interactions with cellulose in the cell wall drives multiple synergistic mechanisms leading to the efficient breakdown and fractionation of biomass into valuable chemical precursors. Molecular simulations reflect that THF–water is an excellent “theta” solvent, such that lignin dissociates from itself and from cellulose and expands to form a random coil. The expansion of the lignin molecules exposes interunit linkages, rendering them more susceptible to depolymerization by acid-catalyzed cleavage of aryl-ether bonds. Nanoscale infrared sensors confirm cosolvent-mediated molecular rearrangement of lignin in the cell wall of micrometer-thick hardwood slices and track the disappearance of lignin. At bulk scale, adding dilute acid to the cosolvent mixture liberates the majority of the hemicellulose and lignin from biomass, allowing unfettered access of cellulolytic enzymes to the remaining cellulose-rich material, allowing them to sustain high rates of hydrolysis to glucose without enzyme deactivation. Through this multiscale analysis, synergistic mechanisms for biomass deconstruction are confirmed, portending a paradigm shift toward first-principles design and evaluation of other cosolvent methods to realize low cost fuels and bioproducts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Multicolor polymeric carbon dots: synthesis, separation and polyamide-supported molecular fluorescence

Multicolor carbon dots (CDs) have been developed recently and demonstrate great potential in bio-imaging, sensing, and LEDs. However, the fluorescence mechanism of their tunable colors is still under debate, and efficient separation methods are still challenging. Herein, we synthesized multicolor polymeric CDs through solvothermal treatment of citric acid and urea in formamide. Automated reversed-phase column separation was used to achieve fractions with distinct colors, including blue, cyan, green, yellow, orange and red. This work explores the physicochemical properties and fluorescence origins of the red, green, and blue fractions in depth with combined experimental and computational methods. Three dominant fluorescence mechanism hypotheses were evaluated by comparing time-dependent density functional theory and molecular dynamics calculation results to measured characteristics. We find that blue fluorescence likely comes from embedded small molecules trapped in carbonaceous cages, while pyrene analogs are the most likely origin for emission at other wavelengths, especially in the red. Also important, upon interaction with live cells, different CD color fractions are trafficked to different sub-cellular locations. Super-resolution imaging shows that the blue CDs were found in a variety of organelles, such as mitochondria and lysosomes, while the red CDs were primarily localized in lysosomes. These findings significantly advance our understanding of the photoluminescence mechanism of multicolor CDs and help to guide future design and applications of these promising nanomaterials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Techniques for improved statistical convergence in quantification of eddy diffusivity moments

While recent approaches, such as the macroscopic forcing method (MFM) or Green's function-based approaches, can be used to compute Reynolds-averaged Navier-Stokes closure operators using forced direct numerical simulations, MFM can also be used to directly compute moments of the effective nonlocal and anisotropic eddy diffusivities. The low-order spatial and temporal moments contain limited information about the eddy diffusivity but are often sufficient for quantification and modeling of nonlocal and anisotropic effects. However, when using MFM to compute eddy diffusivity moments, the statistical convergence can be slow for higher-order moments. In this work, we demonstrate that using the same direct numerical simulation (DNS) for all forced MFM simulations improves statistical convergence of the eddy diffusivity moments. We present its implementation in conjunction with a decomposition method that handles the MFM forcing semianalytically and allows for consistent boundary condition treatment, which we develop for both scalar and momentum transport. We demonstrate that for a two-dimensional Rayleigh-Taylor instability case study, using the same DNS for all forced MFM simulations results in convergence with 𝒪⁡(100) simulations rather than 𝒪⁡(1000) simulations. In conclusion, we then demonstrate the impacts of improved convergence on the quantification of the eddy diffusivity.

general physics↗
DOE OSTI2017

Processing Contexts for Experimental HEP Data

This document provides, for those not closely associated with the experimental High Energy Physics (HEP) community, an introduction to data input and output requirements for a variety of data processing tasks. Examples in it are drawn from the art event processing framework, and from experiments and projects using art, most notably the LArSoft and NuTools projects.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1976

Results of Large Area Crop Inventory Experiment (LACIE) drought analysis (South Dakota drought 1976)

LACIE using techniques developed from the southern Great Plains drought analysis indicated the potential for drought damage in South Dakota. This potential was monitored and as it became apparent that a drought was developing, LACIE implemented some of the procedures used in the southern Great Plains drought. The technical approach used in South Dakota involved the normal use of LACIE sample segments (5 x 6 nm) every 18 days. Full frame color transparencies (100 x 100 nm) were used on 9 day intervals to identify the drought area and to track overtime. The green index number (GIN) developed using the Kauth transformation was computed for all South Dakota segments and selected North Dakota segments. A scheme for classifying segments as drought affected or not affected was devised and tested on all available 1976 South Dakota data. Yield model simulations were run for all CRD's Crop Reporting District) in South Dakota.

Thompson, D. R.↗
NASA NTRS1982

Subsonic aerodynamic and flutter characteristics of several wings calculated by the SOUSSA P1.1 panel method

The SOUSSA (steady, oscillatory, and unsteady subsonic and supersonic aerodynamics) program is the computational implementation of a general potential flow analysis (by the Green's function method) that can generate pressure distributions on complete aircraft having arbitrary shapes, motions and deformations. Some applications of the initial release version of this program to several wings in steady and oscillatory motion, including flutter are presented. The results are validated by comparisons with other calculations and experiments. Experiences in using the program as well as some recent improvements are described.

Yates, E. C., Jr.↗
DOE OSTI2024

Response Functions of Correlated Systems within Green's Function Theory

Why use Green's functions as the fundamental variable? Wave-function (Psi) methods are king for high-fidelity and Density-functional (Rho) methods are very efficient (Kohn-Sham). Goldilocks principle: Green's function (G) methods straddle the Rho and Psi methods, intermediate in both accuracy and efficiency. Also, when interest lies in excitations & 2-particle properties: G-methods are natural - intrinsic to the theory.

DMFT↗
DOE OSTI2014

A FOURIER-TRANSFORMED BREMSSTRAHLUNG FLASH MODEL FOR THE PRODUCTION OF X-RAY TIME LAGS IN ACCRETING BLACK HOLE SOURCES

Accreting black hole sources show a wide variety of rapid time variability, including the manifestation of time lags during X-ray transients, in which a delay (phase shift) is observed between the Fourier components of the hard and soft spectra. Despite a large body of observational evidence for time lags, no fundamental physical explanation for the origin of this phenomenon has been presented. We develop a new theoretical model for the production of X-ray time lags based on an exact analytical solution for the Fourier transform describing the diffusion and Comptonization of seed photons propagating through a spherical corona. The resulting Green's function can be convolved with any source distribution to compute the associated Fourier transform and time lags, hence allowing us to explore a wide variety of injection scenarios. We show that thermal Comptonization is able to self-consistently explain both the X-ray time lags and the steady-state (quiescent) X-ray spectrum observed in the low-hard state of Cyg X-1. The reprocessing of bremsstrahlung seed photons produces X-ray time lags that diminish with increasing Fourier frequency, in agreement with the observations for a wide range of sources.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1997

Development of Improved Surface Integral Methods for Jet Aeroacoustic Predictions

The accurate prediction of aerodynamically generated noise has become an important goal over the past decade. Aeroacoustics must now be an integral part of the aircraft design process. The direct calculation of aerodynamically generated noise with CFD-like algorithms is plausible. However, large computer time and memory requirements often make these predictions impractical. It is therefore necessary to separate the aeroacoustics problem into two parts, one in which aerodynamic sound sources are determined, and another in which the propagating sound is calculated. This idea is applied in acoustic analogy methods. However, in the acoustic analogy, the determination of far-field sound requires the solution of a volume integral. This volume integration again leads to impractical computer requirements. An alternative to the volume integrations can be found in the Kirchhoff method. In this method, Green's theorem for the linear wave equation is used to determine sound propagation based on quantities on a surface surrounding the source region. The change from volume to surface integrals represents a tremendous savings in the computer resources required for an accurate prediction. This work is concerned with the development of enhancements of the Kirchhoff method for use in a wide variety of aeroacoustics problems. This enhanced method, the modified Kirchhoff method, is shown to be a Green's function solution of Lighthill's equation. It is also shown rigorously to be identical to the methods of Ffowcs Williams and Hawkings. This allows for development of versatile computer codes which can easily alternate between the different Kirchhoff and Ffowcs Williams-Hawkings formulations, using the most appropriate method for the problem at hand. The modified Kirchhoff method is developed primarily for use in jet aeroacoustics predictions. Applications of the method are shown for two dimensional and three dimensional jet flows. Additionally, the enhancements are generalized so that they may be used in any aeroacoustics problem.

Pilon, Anthony R.↗
NASA NTRS1986

Theoretical models of single-element LTSA antenna elements

The spectral domain computations for slotline guide wavelength and characteristic impedance provide the basic parameters that are need to calculate the radiation pattern of an Linearly Tapered Slot Antenna (LTSA) by using the half-plane Green's function and a stepped approximation to the LTSA structure. However, the spectral domain computations are somewhat time consuming and not suitable for computer aided design application. Therefore, the results of several computation were fitted by formulas that are readily evaluated on a calculator or computer. Antenna measurements were continued, and an attempt was made to predict the truncation effect by three different methods.

Source record↗