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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 307 records · Page 17
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Oxygen-atom transfer photochemistry of a molecular copper bromate complex

Here, we report the synthesis and oxygen-atom transfer (OAT) photochemistry of [Cu(tpa)BrO 3 ]ClO 4 . In situ spectroscopy and in crystallo experiments indicate OAT proceeds from a Cu–O fragment generated by sequential Cu–O bond cleavage and OAT from BrO x to [Cu(tpa)] + . Furthermore, these results highlight synthetic opportunities in M–O photochemistry and demonstrate the utility of in crystallo experiments to evaluating photochemical reaction mechanisms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Investigating the relationship between noise transfer inside the x-ray framing cameras and their imaging ability

We apply a cascaded linear model analysis to a micro-channel plate x-ray framing camera. We establish a theoretical expression of the Noise Power Spectrum (NPS) at the detector’s output and assess its accuracy by comparing it to the NPS of Monte Carlo simulations of the detector’s response to a uniform illumination. We also reflect that fitting the NPS of experimental data against a parametric model based on this expression can yield valuable information on the imaging ability of framing cameras, offering an alternative method to the usual avenue employed to measure their modulation transfer functions.

25 ENERGY STORAGE↗
DOE OSTI2023

Bayesian Parameter Estimation of the k-ω Shear Stress Transport Model for Accurate Simulations of Impinging-Jet Heat Transfer

Given the lack of fusion-relevant component test facilities, current estimates of the thermo-fluid performance of plasma-facing components are based for the most part on numerical simulations. A major source of uncertainty in these simulations is the semiempirical turbulence (closure) models for the Reynolds stresses appearing in the governing Reynolds-averaged Navier-Stokes equations, which involve a set of constants that depend upon the flow. The objective of this study is to evaluate Bayesian parameter estimation of turbulence closure constants in ANSYS Fluent to model heat transfer in impinging jets. The Bayesian statistical calibration produces a probability distribution for these constants from experimental data; the maximum a posteriori estimates are then taken to be the calibrated constants, or parameters. The turbulence model constants are calibrated using an experimental study of a submerged jet of air impinging on a flat heated surface at Reynolds numbers Re = O(10 4 ) and impingement distance in jet diameters H/d = 2. Numerical predictions using the calibrated model parameters are then compared with those generated using the default constants. Predictions obtained with model parameters calibrated on datasets of two different sizes are compared to evaluate the effect of the number of calibration samples. Lastly, the extrapolative ability of the calibrated model is examined by predictions at a Re beyond the calibration values.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Loss for photoemission versus gain for Auger: Direct experimental evidence of crystal-field splitting and charge transfer in photoelectron spectroscopy

Here, we find a 5 eV satellite in the Ti1s photoelectron spectrum of the transition-metal oxide SrTiO 3 . This satellite appears in addition to the well-studied 13 eV structure that is typically associated with the Ti2p core line. We give direct experimental evidence that the presence of two satellites is due to the crystal-field splitting of the metal 3d orbitals. They originate from ligand 2pt 2 g → metal3dt 2 g and ligand 2pe g → metal 3de g monopole charge-transfer excitations within the sudden approximation of quantum mechanics. This assignment is made by the energetics of the resonant and high-energy threshold behaviors of the TiK–L 2 L 3 Auger decay that follows Ti1s photoionization.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A Radiative Transfer Model for Patchy Landscapes Based on Stochastic Radiative Transfer Theory

The availability of global high-resolution land cover maps provides promising a priori knowledge for characterizing subpixel heterogeneity and improving predictions of directional reflectance of coarse-resolution pixels. Due to mutual shadowing and sheltering effects between the adjacent forest and cropland patches, the spectral nonlinear mixing of patchy ecotones is significant, especially when the sun illuminates the ecotone from the forest side with high solar zenith angle. The spectral linear mixture (SLM) approach leads to overestimation of the bidirectional reflectance factor (BRF) in the red band in the principal plane (PP), with a maximum absolute error (MAE) of 0.0063 and a maximum relative error (MRE) of 52.5%, and to underestimation in the near-infrared band in PP with an MAE of 0.0940 and an MRE of 14.5%. In a scenario with randomly distributed boundary orientations, the overestimation of SLM increases with the degree of fragmentation and the view zenith angle. We propose a Radiative Transfer model for patchy ECotones (RTEC). which improves R² from 0.61 to 0.94 in the red band of Landsat-8 directional reflectance at the validation site. The RTEC model provides an efficient and analytical approach for directional reflectance predictions over heterogeneous patchy landscapes at coarse resolution and will be used for biophysical parameter retrievals [e.g., the leaf area index (LAI)] in future applications.

Zeng, Yelu↗
DOE OSTI2021

Solvation sheath reorganization enables divalent metal batteries with fast interfacial charge transfer kinetics

Efficient, rechargeable Mg and Ca batteries Divalent rechargeable metal batteries such as those based on magnesium and calcium are of interest because of the abundance of these elements and their lower tendency to form dendrites, but practical demonstrations are lacking. Hou et al . used methoxyethyl amine chelants in which the ligands attach to the metal atom in more than one place, modulating the solvation structure of the metal ions to enable a facile charge-transfer reaction (see the Perspective by Zuo and Yin). In full battery cells, these components lead to high efficiency and energy density. Theoretical calculations were used to understand the solvation structures. —MSL

Science & Technology - Other Topics↗
NASA NTRS1991

Comparison of two-way satellite time transfer and GPS common-view time transfer between OCA and TUG

For about one year the time scales UTC(OCA) and UTC(TUG) were compared by means of GPS and two-way satellite time transfer. At the end of the experiment both links were independently 'calibrated' by measuring the differential delays of the GPS receivers and of the satellite earth stations by transportation of a GPS receiver and of one of the satellite terminals. The results obtained by both methods differ by about 3 ns, but reveal a seasonal variation of about 8 ns peak-to-peak which is likely the result of a temperature-dependence of the delays of the GPS receivers used. For the comparison of both methods the stabilities of the timescales are of great importance. Unfortunately, during the last three months of the experiment a less stable clock had to be used for the generation of UTC(TUG).

D. Kirchner↗
NASA NTRS1955

Analysis of turbulent heat transfer, mass transfer, and friction in smooth tubes at high Prandtl and Schmidt numbers

The expression for eddy diffusivity from a previous analysis was modified in order to account for the effect of kinematic viscosity on the turbulence in the region close to a wall. By using the modified expression, good agreement was obtained between predicted and experimental results for heat and mass transfer at Prandtl and Schmidt numbers between 0.5 and 3000. The effects of length-to-diameter ratio and of variable viscosity were also investigated for a wide range of Prandtl numbers.

Deissler, Robert G↗
NASA NTRS2001

Hyperspectral Technology Transfer to the US Department of Interior: Summary of Results of the NASA/DOI Hyperspectral Technology Transfer Project

In 1997 the Office of Biological Informatics and Outreach (OBIO), Biological Resources Division, US Geological Survey and NASA, Office of Earth Science (OES), initiated a coordinated effort for applying Airborne Visible and Infrared Imaging Spectrometer (AVIRIS) data and analysis, as a technology transfer project, to critical DOI environmental issues in four study sites throughout the United States. This work was accomplished by four US Department of the Interior (DOI) study teams with support from NASA/OES principal investigators and the Office of Earth Science programs. The studies, including personnel, objectives, background, project plans, and milestones were documented in a project website at . This report summarizes the final outcomes of the project, detailing accomplishments, lessons learned, and benefits realized to NASA, the US Geological Survey, and the participating DOI bureaus.

Root, Ralph↗
DOE OSTI2016

Low-Order Modeling of Internal Heat Transfer in Biomass Particle Pyrolysis

We present a computationally efficient, one-dimensional simulation methodology for biomass particle heating under conditions typical of fast pyrolysis. Our methodology is based on identifying the rate limiting geometric and structural factors for conductive heat transport in biomass particle models with realistic morphology to develop low-order approximations that behave appropriately. Comparisons of transient temperature trends predicted by our one-dimensional method with three-dimensional simulations of woody biomass particles reveal good agreement, if the appropriate equivalent spherical diameter and bulk thermal properties are used. We conclude that, for particle sizes and heating regimes typical of fast pyrolysis, it is possible to simulate biomass particle heating with reasonable accuracy and minimal computational overhead, even when variable size, aspherical shape, anisotropic conductivity, and complex, species-specific internal pore geometry are incorporated.

09 BIOMASS FUELS↗
DOE OSTI2014

Electron transfer activation of a second water channel for proton transport in [FeFe]-hydrogenase

Hydrogenase enzymes are important because they can reversibly catalyze the production of molecular hydrogen. Proton transport mechanisms have been previously studied in residue pathways that lead to the active site of the enzyme via residues Cys299 and Ser319. The importance of this pathway and these residues has been previously exhibited through site-specific mutations, which were shown to interrupt the enzyme activity. It has been shown recently that a separate water channel (WC2) is coupled with electron transport to the active site of the [FeFe]-hydrogenase. The water-mediated proton transport mechanisms of the enzyme in different electronic states have been studied using the multistate empirical valence bond reactive molecular dynamics method, in order to understand any role WC2 may have in facilitating the residue pathway in bringing an additional proton to the enzyme active site. In a single electronic state A{sup 2−}, a water wire was formed through which protons can be transported with a low free energy barrier. The remaining electronic states were shown, however, to be highly unfavorable to proton transport in WC2. A double amino acid substitution is predicted to obstruct proton transport in electronic state A{sup 2-} by closing a cavity that could otherwise fill with water near the proximal Fe of the active site.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗