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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Supported Single-Site Ti(IV) on a Metal–Organic Framework for the Hydroboration of Carbonyl Compounds

Here, a stable and structurally well-defined titanium alkoxide catalyst supported on a metal-organic-framework (MOF) of UiO-67 topology (ANL1-Ti(O i Pr) 2 ) was synthesized and fully characterized by a variety of analytical and spectroscopic techniques, including BET, TGA, PXRD, XAS, DRIFT, SEM, and DFT computations. The Ti-functionalized MOF was demonstrated active for the catalytic hydroboration of a wide range of aldehydes and ketones with HBpin as the boron source. Compared to traditional homogeneous and supported hydroboration catalysts, ANL1-Ti(O i Pr) 2 is completely recyclable and reusable, making it a promising hydroboration catalyst alternative for green and sustainable chemical synthesis. DFT calculations suggest that the catalytic hydroboration proceeds via a (1) hydride transfer between the active Ti-hydride species and a carbonyl moiety (rate determining step), and (2) alkoxide transfer (intramolecular σ-bond metathesis) to generate the boronate ester product.

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

A Comprehensive Stress Drop Map From Trench to Depth in the Northern Chilean Subduction Zone

We compute stress drops for earthquakes in Northern Chile recorded between 2007 and 2021. By applying two analysis techniques, (a) the spectral ratio (SR) method and (b) the spectral decomposition (SDC) method, a stress drop map for the subduction zone consisting of 51,510 stress drop values is produced. We build an extended set of empirical Green’s functions (EGF) for the SR method by systematic template matching. Outputs are used to compare with results from the SDC approach, where we apply cell-wise obtained global EGF's to compensate for the structural heterogeneity of the subduction zone. We find a good consistency of results of the two methods. The increased spatial coverage and quantity of stress drop estimates from the SDC method facilitate a consistent stress drop mapping of the different seismotectonic domains. Albeit only small differences of median stress drop, strike-perpendicular depth sections clearly reveal systematic variations, with earthquakes at different seismotectonic locations exhibiting distinct values. In particular, interface seismicity is characterized by the lowest observed median value, whereas upper plate earthquakes show noticeably higher stress drop values. Intermediate depth earthquakes show comparatively high average stress drop and a rather strong depth-dependent increase of median stress drop. Additionally, we observe spatio-temporal variability of stress drops related to the occurrence of the two megathrust earthquakes in the study region. The presented study is the first coherent large scale 3D stress drop mapping of the Northern Chilean subduction zone. It provides an important component for further detailed analysis of the physics of earthquake ruptures.

58 GEOSCIENCES↗
NASA NTRS2011

On the Development of a Deterministic Three-Dimensional Radiation Transport Code

Since astronauts on future deep space missions will be exposed to dangerous radiations, there is a need to accurately model the transport of radiation through shielding materials and to estimate the received radiation dose. In response to this need a three dimensional deterministic code for space radiation transport is now under development. The new code GRNTRN is based on a Green's function solution of the Boltzmann transport equation that is constructed in the form of a Neumann series. Analytical approximations will be obtained for the first three terms of the Neumann series and the remainder will be estimated by a non-perturbative technique . This work discusses progress made to date and exhibits some computations based on the first two Neumann series terms.

Rockell, Candice↗
NASA NTRS2022

Diverse Responses of Multiple Satellite-Derived Vegetation Greenup Onsets to Dry Periods in the Amazon

Satellite-derived vegetation greenness and seasonal dynamics in the Amazon have generated considerable academic debate over the past two decades. Despite this, the phenological timing of Amazon forests and, in particular their responses to dry periods, remain poorly understood. Here we explicitly identify the diverse timing of vegetation canopy greenup onsets from 10-min geostationary satellite observations, and compute the timing of both the start and end of dry periods from daily precipitation data. We, for the first time, reveal that the Amazon vegetation canopy regularly experiences two cycles of greenup onsets during a year. The occurrence of greenup onset varies diversely from the start to end of the dry periods, but demonstrates regular shifts in local areas, although irregular shifts across the region. The multiple greenup onsets show complex spatial shifts, which closely follow the spatial movement of dry periods. The results provide a new insight into our understanding of the complexity of Amazonian vegetation canopy dynamics during dry periods, which could significantly improve the simulation of carbon and water cycles.

Satellite-Derived Vegetation↗
DOE OSTI2023

Mitigating Green's function Monte Carlo signal-to-noise problems using contour deformations

The Green's function Monte Carlo (GFMC) method provides accurate solutions to the nuclear many-body problem and predicts properties of light nuclei starting from realistic two- and three-body interactions. Controlling the GFMC fermion-sign problem is crucial, as the signal-to-noise ratio decreases exponentially with Euclidean time, requiring significant computing resources. Inspired by similar scenarios in lattice quantum field theory and spin systems, in this work, we employ integration contour deformations to improve the GFMC signal-to-noise ratio. Machine learning techniques are used to select optimal contours with minimal variance from parameterized families of deformations. As a proof of principle, we consider the deuteron binding energies and Euclidean density response functions. We only observe mild signal-to-noise improvement for the binding energy case. On the other hand, we achieve an order of magnitude reduction of the variance for Euclidean density response functions, paving the way for computing electron- and neutrino-nucleus cross-sections of larger nuclei.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Derivation of instanton rate theory from first principles

Instanton rate theory is used to study tunneling events in a wide range of systems including low-temperature chemical reactions. Despite many successful applications, the method has never been obtained from first principles, relying instead on the “Im F” premise. In this paper, the same expression for the rate of barrier penetration at finite temperature is rederived from quantum scattering theory [W. H. Miller, S. D. Schwartz, and J. W. Tromp, J. Chem. Phys. 79, 4889 (1983)] using a semiclassical Green’s function formalism. This justifies the instanton approach and provides a route to deriving the rate of other processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Two (or more) for one: Identifying classes of household energy- and water-saving measures to understand the potential for positive spillover

A key component of behavior-based energy conservation programs is the identification of target behaviors. A common approach is to target behaviors with the greatest energy-saving potential. The concept of behavioral spillover introduces further considerations, namely that adoption of one energy-saving behavior may increase (or decrease) the likelihood of other energy-saving behaviors. This research aimed to identify and describe household energy- and water-saving measure classes within which positive spillover is likely to occur (e.g., adoption of energy-efficient appliances may correlate with adoption of water-efficient appliances), and explore demographic and psychographic predictors of each. Nearly 1,000 households in a California city were surveyed and asked to report whether they had adopted 75 different energy- and/or water-saving measures. Principal Component Analysis and Network Analysis based on correlations between adoption of these diverse measures revealed and characterized eight water-energy-saving measure classes: Water Conservation, Energy Conservation, Maintenance and Management, Efficient Appliance, Advanced Efficiency, Efficient Irrigation, Green Gardening, and Green Landscaping. Understanding these measure classes can help guide behavior-based energy program developers in selecting target behaviors and designing interventions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
NASA NTRS1986

Finite-volume scheme for transonic potential flow about airfoils and bodies in an arbitrarily shaped channel

A conservative finite-volume difference scheme is developed for the potential equation to solve transonic flow about airfoils and bodies in an arbitrarily shaped channel. The scheme employs a mesh which is a nearly conformal O mesh about the airfoil and nearly orthogonal at the channel walls. The mesh extends to infinity upstream and downstream, where the mapping is singular. Special procedures are required to treat the singularities at infinity, including computation of the metrics near those points. Channels with exit areas different from inlet areas are solved; a body with a sting mount is an example of such a case.

South, Jerry C., Jr.↗
DOE OSTI2019

Excitation Energies from the Single-Particle Green’s Function with the GW Approximation

Quasi-particle energies are vital to predicting molecular ionization energies and bulk band structures. The state-of-the-art method for quasi-particle energy calculations, particularly for bulk systems, is the GW approximation. For excited state calculations, one needs to go beyond the GW approximation. The Bethe–Salpeter equation (BSE) is the commonly used approach for bulk-system excited state calculations beyond the GW approximation, which is accurate but computationally cumbersome. In this Article, we create a new method to extract excitation energies directly from the quasi-particle energies based on the GW approximation. Starting from the (N – 1)-electron system, we are able to calculate molecular excitation energies with orbital energies at the GW level for HOMO excitations. Our calculations demonstrate that this method can accurately capture low-lying local excitations as well as charge transfer excitations in many molecular systems. This approach is shown to outperform the time-dependent density functional theory (TDDFT) and are comparable with higher level excited state calculations, including the equation-of-motion couple cluster (EOM-CC) theory and the BSE, but with less computational effort. This new approach provides an efficient alternative to the BSE method for accurate excited state calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1974

Evaluation of ERTS-1 data for inventory of forest and rangeland and detection of forest stress

The author has identified the following significant results. Results of photointerpretation indicated that ERTS is a good classifier of forest and nonforest lands (90 to 95 percent accurate). Photointerpreters could make this separation as accurately as signature analysis of the computer compatible tapes. Further breakdowns of cover types at each site could not be accurately classified by interpreters (60 percent) or computer analysts (74 percent). Exceptions were water, wet meadow, and coniferous stands. At no time could the large bark beetle infestations (many over 300 meters in size) be detected on ERTS images. The ERTS wavebands are too broad to distinguish the yellow, yellow-red, and red colors of the dying pine foliage from healthy green-yellow foliage. Forest disturbances could be detected on ERTS color composites about 90 percent of the time when compared with six-year-old photo index mosaics. ERTS enlargements (1:125,000 scale, preferably color prints) would be useful to forest managers of large ownerships over 5,000 hectares (12,500 acres) for broad area planning. Black-and-white enlargements can be used effectively as aerial navigation aids for precision aerial photography where maps are old or not available.

Heller, R. C.↗
NASA NTRS1985

What color is the solar system?

Estimates are made of the true visual colors of various planets and moons in the solar system. Account is taken of the components of perceived color, i.e., hue, saturation and lightness. Earth is a blue planet while most of the others, including Mars, are yellow and differ only in their lightness. Widely disseminated Voyager images of Jupiter have been computer-enhanced to highlight details. A reflectance spectrum established by the International Commission on Illumination provides reference lines which are measured and compared with reference colors which would be seen on earth in normal daylight. Uranus is actually a light aqua color due to its absorption of 6190 A light and reflectance of 5000 A blue green light.

Young, A. T.↗
NASA NTRS1990

New correction procedures for the fast field program which extend its range

A fast field program (FFP) algorithm was developed based on the method of Lee et al., for the prediction of sound pressure level from low frequency, high intensity sources. In order to permit accurate predictions at distances greater than 2 km, new correction procedures have had to be included in the algorithm. Certain functions, whose Hankel transforms can be determined analytically, are subtracted from the depth dependent Green's function. The distance response is then obtained as the sum of these transforms and the Fast Fourier Transformation (FFT) of the residual k dependent function. One procedure, which permits the elimination of most complex exponentials, has allowed significant changes in the structure of the FFP algorithm, which has resulted in a substantial reduction in computation time.

West, M.↗
DOE OSTI2017

Quantized charge transport in chiral Majorana edge modes

Majorana fermions can be realized as quasiparticles in topological superconductors, with potential applications in topological quantum computing. Recently, lattices of magnetic adatoms deposited on the surface of 𝑠-wave superconductors—Shiba lattices—have been proposed as a new platform for topological superconductivity. Furthermore, these systems possess the great advantage that they are accessible via scanning-probe techniques and thus enable the local manipulation and detection of Majorana modes. Using a nonequilibrium Green's function technique we demonstrate that the topological Majorana edge modes of nanoscopic Shiba islands display universal electronic and transport properties. Most remarkably, these Majorana modes possess a quantized charge conductance that is proportional to the topological Chern number, 𝒞, and carry a supercurrent whose chirality reflects the sign of 𝒞. These results establish nanoscopic Shiba islands as promising components in future topology-based devices.

Edge states↗
DOE OSTI2024

Covalent integration of polymers and porous organic frameworks

Covalent integration of polymers and porous organic frameworks (POFs), including metal-organic frameworks (MOFs), covalent organic frameworks (COFs) and hydrogen-bonded organic frameworks (HOFs), represent a promising strategy for overcoming the existing limitations of traditional porous materials. This integration allows for the combination of the advantages of polymers, i.e., flexibility, processability and chemical versatility etc., and the superiority of POFs, like the structural integrity, tunable porosity and the high surface area, creating a type of hybrid materials. These resulting polymer-POF hybrid materials exhibit enhanced mechanical strength, chemical stability and functional diversity, thus opening up new opportunities for applications across a large variety of fields, such as gas separation, catalysis, biomedical applications, environmental remediation and energy storage. In this review, an overview of synthetic routes and strategies on how to covalently integrate different polymers with various POFs is discussed, especially with a particular focus on methods like polymerization within, on and among POF structures. To investigate the unique properties and functions of these resultant hybrid materials, the characterization techniques, including nuclear magnetic resonance spectroscopy (NMR), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), thermogravimetric analysis (TGA), transmission electron microscopy (TEM) and scanning electron microscopy (SEM), gas adsorption analysis (BET) and computational modeling and machine learning, are also presented. The ability of polymer-POFs to manipulate the pore environments at the molecular level affords these materials a wide range of applications, providing a versatile platform for future advancements in material science. Looking forward, to fully realize the potential of these hybrid materials, the authors highlight the scalability, green synthesis methods, and potential for stimuli-responsive polymer-POF materials as critical areas for future research.

Hossain, Md Amjad↗
NASA NTRS1974

Evaluation of the application of ERTS-1 data to the regional land use planning process

The author has identified the following significant results. Employing simple and economical extraction methods, ERTS can provide valuable data to the planners at the state or regional level with a frequency never before possible. Interactive computer methods of working directly with ERTS digital information show much promise for providing land use information at a more specific level, since the data format production rate of ERTS justifies improved methods of analysis.

Clapp, J. L.↗
NASA NTRS1975

Rotational excitation in H2-H2 collisions - Close-coupling calculations

Rotational excitation in molecule-molecule collisions has been treated for the first time by accurate quantum close-coupling scattering calculations, employing an expansion basis set of two to three rotational levels for each molecule and correctly accounting for exchange of identical particles. Elastic and inelastic cross sections have been computed for collisions of para-para, ortho-ortho, and para-ortho hydrogen molecules assuming an intermolecular potential suggested previously. The accuracy of recent 'effective potential' calculations is demonstrated by comparison with the exact quantum results.

Green, S.↗
NASA NTRS2018

Monitoring Springs in the Mojave Desert Using Landsat Time Series Analysis

The purpose of this study, based on Landsat satellite data was to characterize variations and trends over 30 consecutive years (1985-2016) in perennial vegetation green cover at over 400 confirmed Mojave Desert spring locations. These springs were surveyed between in 2015 and 2016 on lands managed in California by the U.S. Bureau of Land Management (BLM) and on several land trusts within the Barstow, Needles, and Ridgecrest BLM Field Offices. The normalized difference vegetation index (NDVI) from July Landsat images was computed at each spring location and a trend model was first fit to the multi-year NDVI time series using least squares linear regression.Â

Time Series↗
NASA NTRS2015

Estimation of Crop Gross Primary Production (GPP): Do Scaled (MODIS) Vegetation Indices Improve Performance? - 2

Satellite remote sensing estimates of Gross Primary Production (GPP) have routinely been made using spectral Vegetation Indices (VIs) over the past two decades. The Normalized Difference Vegetation Index (NDVI), the Enhanced Vegetation Index (EVI), the green band Wide Dynamic Range Vegetation Index (WDRVIgreen), and the green band Chlorophyll Index (CIgreen) have been employed to estimate GPP under the assumption that GPP is proportional to the product of VI and photosynthetically active radiation (PAR) (where VI is one of four VIs: NDVI, EVI, WDRVIgreen, or CIgreen). However, the empirical regressions between VI*PAR and GPP measured locally at flux towers do not pass through the origin (i.e., the zero X-Y value for regressions). Therefore they are somewhat difficult to interpret and apply. This study investigates (1) what are the scaling factors and offsets (i.e., regression slopes and intercepts) between the fraction of PAR absorbed by chlorophyll of a canopy (fAPARchl) and the VIs, and (2) whether the scaled VIs developed in (1) can eliminate the deficiency and improve the accuracy of GPP estimates. Three AmeriFlux maize and soybean fields were selected for this study, two of which are irrigated and one is rainfed. The four VIs and fAPARchl of the fields were computed with the MODerate resolution Imaging Spectroradiometer (MODIS) satellite images. The GPP estimation performance for the scaled VIs was compared to results obtained with the original VIs and evaluated with standard statistics: the coefficient of determination (R2), the root mean square error (RMSE), and the coefficient of variation (CV). Overall, the scaled EVI obtained the best performance. The performance of the scaled NDVI, EVI and WDRVIgreen was improved across sites, crop types and soil/background wetness conditions. The scaled CIgreen did not improve results, compared to the original CIgreen. The scaled green band indices (WDRVIgreen, CIgreen) did not exhibit superior performance to either the scaled EVI or NDVI in estimating crop daily GPP at these agricultural fields. The scaled VIs are more physiologically meaningful than original un-scaled VIs, but scaling factors and offsets may vary across crop types and surface conditions.

Vegetation Index↗