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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Time of Flight Electrochemistry: Diffusion Coefficient Measurements Using Interdigitated Array (IDA) Electrodes

A simple and straightforward method for measuring diffusion coefficients using interdigitated array (IDA) electrodes is reported. The method does not require that the exact electrode area be known but depends only the size of the gap between the IDA electrode pairs. Electroactive molecules produced at the generator electrode of the IDA by a voltage step or scan can diffuse to the collector electrode and the time delay before the current for the reverse electrochemical reaction is detected at the collector is used to calculate the diffusion coefficient. The measurement of the diffusion rate of Ru(NH3)6+2 in aqueous solution has been used as an example measuring diffusion coefficients using this method. Additionally, a digital simulation of the electrochemical response of the IDA electrodes was used to simulate the entire current/voltage/time behavior of the system and verify the experimentally measured diffusion coefficients. This work was supported as part of the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the Department of Energy, Office of Science, Office of Basic Energy Sciences.

Liu, Fei↗
DOE OSTI2015

The relationship between coefficient of restitution and state of charge of zinc alkaline primary LR6 batteries [Bouncing alkaline batteries: A basic solution]

The coefficient of restitution of alkaline batteries had been shown to increase as a function of depth of discharge. In this work, using non-destructive mechanical testing, the change in coefficient of restitution is compared to in situ energy-dispersive x-ray diffraction data to determine the cause of the macroscopic change in coefficient of restitution. The increase in coefficient of restitution correlates to the formation of a percolation pathway of ZnO within the anode of the cell, and that the coefficient of restitution saturates at a value of 0.63 ± .05 at 50% state if charge when the anode has densified into porous ZnO solid. Of note is the sensitivity of coefficient of restitution to the amount of ZnO formation that rivals the sensitivity on in situ energy-dispersive x-ray diffraction spectroscopy.

25 ENERGY STORAGE↗
DOE OSTI2013

Prospects for in vivo estimation of photon linear attenuation coefficients using postprocessing dual-energy CT imaging on a commercial scanner: Comparison of analytic and polyenergetic statistical reconstruction algorithms

Purpose: Accurate patient-specific photon cross-section information is needed to support more accurate model-based dose calculation for low energy photon-emitting modalities in medicine such as brachytherapy and kilovoltage x-ray imaging procedures. A postprocessing dual-energy CT (pDECT) technique for noninvasivein vivo estimation of photon linear attenuation coefficients has been experimentally implemented on a commercial CT scanner and its accuracy assessed in idealized phantom geometries. Methods: Eight test materials of known composition and density were used to compare pDECT-estimated linear attenuation coefficients to NIST reference values over an energy range from 10 keV to 1 MeV. As statistical image reconstruction (SIR) has been shown to reconstruct images with less random and systematic error than conventional filtered backprojection (FBP), the pDECT technique was implemented with both an in-house polyenergetic SIR algorithm, alternating minimization (AM), as well as a conventional FBP reconstruction algorithm. Improvement from increased spectral separation was also investigated by filtering the high-energy beam with an additional 0.5 mm of tin. The law of propagated uncertainty was employed to assess the sensitivity of the pDECT process to errors in reconstructed images. Results: Mean pDECT-estimated linear attenuation coefficients for the eight test materials agreed within 1% of NIST reference values for energies from 1 MeV down to 30 keV, with mean errors rising to between 3% and 6% at 10 keV, indicating that the method is unbiased when measurement and calibration phantom geometries are matched. Reconstruction with FBP and AM algorithms conferred similar mean pDECT accuracy. However, single-voxel pDECT estimates reconstructed on a 1 × 1 × 3 mm{sup 3} grid are shown to be highly sensitive to reconstructed image uncertainty; in some cases pDECT attenuation coefficient estimates exhibited standard deviations on the order of 20% around the mean. Reconstruction with the statistical AM algorithm led to standard deviations roughly 40% to 60% less than FBP reconstruction. Additional tin filtration of the high energy beam exhibits similar pDECT estimation accuracy as the unfiltered beam, even when scanning with only 25% of the dose. Using the law of propagated uncertainty, low Z materials are found to be more sensitive to image reconstruction errors than high Z materials. Furthermore, it is estimated that reconstructed CT image uncertainty must be limited to less than 0.25% to achieve a target linear-attenuation coefficient estimation uncertainty of 3% at 28 keV. Conclusions: That pDECT supports mean linear attenuation coefficient measurement accuracies of 1% of reference values for energies greater than 30 keV is encouraging. However, the sensitivity of the pDECT measurements to noise and systematic errors in reconstructed CT images warrants further investigation in more complex phantom geometries. The investigated statistical reconstruction algorithm, AM, reduced random measurement uncertainty relative to FBP owing to improved noise performance. These early results also support efforts to increase DE spectral separation, which can further reduce the pDECT sensitivity to measurement uncertainty.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2024

New procedure for evaluation of U(3) coupling and recoupling coefficients

A simple method to calculate Wigner coupling coefficients and Racah recoupling coefficients for U(3) in two group–subgroup chains is presented. While the canonical U(3) coupling and recoupling coefficients are applicable to any system that respects U(3) symmetry, the U(3) coupling coefficients are more specific to nuclear structure studies. This new procedure precludes the use of binomial coefficients and alternating sums which were used in the 1973 formulation of Draayer and Akiyama, and in so doing provides a faster and more accurate determination of any and all required results. The resolution of the outer multiplicity is based on the null space concept of the U(3) generators proposed by Alex et al., whereas the inner multiplicity in the angular momentum subgroup chain is obtained from the dimension of the null space of the SO(3) raising operator. It is anticipated that a C++ library will ultimately be available for determining generic coupling and recoupling coefficients associated with both the canonical and the physical group–subgroup chains of U(3).

Cross-Coupling Reaction↗
DOE OSTI2022

A Package of Momentum and Heat Transfer Coefficients for the Stable Surface Layer Extended by New Coefficients over Sea Ice

The bulk transfer coefficients of momentum, heat, and humidity belong to the main ingredients of numerical weather prediction and climate models. They are needed for the calculation of turbulent fluxes in the surface layer and often rely on the Monin–Obukhov similarity theory requiring universal stability functions. The problem of a derivation of transfer coefficients based on different stability functions has been considered by many researchers over the years but it remains to this day. In this work, dedicated to the memory of S.S. Zilitinkevich, we also address this task, and obtain transfer coefficients from three pairs of theoretically derived stability functions suggested by Zilitinkevich and co-authors for stable conditions. Additionally, we construct non-iterative parametrizations of these transfer coefficients based on earlier work. Results are compared with state-of-the-art coefficients for land, ocean, and sea ice. The combined parametrizations form a package in a universal framework relying on a semi-analytical solution of the Monin-Obukhov similarity theory equations. A comparison with data of the Surface Heat Budget of the Arctic Ocean campaign (SHEBA) over sea ice reveals large differences between the coefficients for land conditions and the measurements over sea ice. However, two schemes of Zilitinkevich and co-authors show, after slight modification, good agreement with SHEBA although they had not been especially developed for sea ice. One pair of the modified transfer coefficients is superior and is compatible to earlier SHEBA-based parametrizations. Finally, an algorithm for practical use of all transfer coefficients in climate models is given.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Heat Transfer Coefficients of Additively Manufactured Tubes with Internal Pin Fins for Supercritical Carbon Dioxide Cycle Recuperators

This paper describes the measurement of convective heat transfer coefficients and friction factors for sCO 2 flowing in additively manufactured tubes with internal pin fins at the US DOE’s National Energy Technology Laboratory in Morgantown, WV. The measurement procedures were validated by conducting benchmark tests with smooth stainless-steel tube and comparing the results with published correlations for Nusselt number (Nu) and friction factor. Over Reynolds numbers (ReD) ranging from 5 × 10 4 to 2.5 × 10 5 , measured Nu was within 5% of the Dittus-Boelter correlation and measured friction factors were within 5% of the McAdams correlation for smooth tube flow. The candidate pin fin patterned pipes were additively manufactured (AM) at the Oak Ridge National Laboratory. The pins were circular or elliptical in cross-section and were printed at a 30⁰ angle relative to the inner wall (to meet AM constraints). The pin arrangement was helical to promote enhanced heat transfer due to swirl flow. Pin length to diameter aspect ratio was 1.33, 2, and 8, while the pin diameter to tube diameter ratio was 0.188, 0.125, and 0.063. Tests were performed for ReD varying from 6.9 × 10 4 to 2.2 × 10 5 and at conditions equivalent to the low pressure (LP) outlet (8.69 MPa, 361 K) and the high pressure (HP) inlet (20.7 MPa, 350 K) of the low temperature recuperator (LTR) in an indirect sCO 2 cycle. The Wilson plot technique was utilized to measure the bulk heat transfer coefficients. For the best performing design (tube A, pin length to tube diameter ratio: 1.33, pin diameter to tube diameter ratio: 0.19), the local heat transfer coefficient increased by 136% relative to the Dittus-Boelter correlation at the LTR low pressure outlet and 194% at the LTR high pressure inlet. These correspond to a 282% and a 271% increase in the product of the heat transfer coefficient and surface area (adjusted for fin efficiency) product, respectively. Large pressure drops across the test articles were observed. For Tube Design A, the average friction factor, across the range of ReD considered, was significantly larger than the McAdams correlation at both the LTR LP outlet and the LTR HP inlet. A thermal performance factor was utilized to express the ratio of material required to build a finned heat exchanger relative to a finless heat exchanger with the same heat duty and pumping power. Tube Design A was estimated to decrease the required heat exchanger material by 13%.

Searle, Matthew↗
DOE OSTI2015

Characterization of the temperature dependence of the thermoreflectance coefficient for conductive thin films

We describe a novel approach for calibration of the thermoreflectance coefficient, ideally suited for measurements in a vacuum thermostat, and present the high temperature thermoreflectance coefficients for several metals commonly encountered in electronic devices: gold, platinum, and aluminum. The effect of passivation on these metals is also examined, and we demonstrate the signal to noise ratio of a thermoreflectance measurement can be improved with informed selection of the dielectric layer thickness. Furthermore, the thermo-optic coefficients of the metals are extracted over a wide temperature range. The results presented here can be utilized in the optimization of experimental configurations for high temperature thermoreflectance imaging.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Communication: Accurate higher-order van der Waals coefficients between molecules from a model dynamic multipole polarizability

Due to the absence of the long-range van der Waals (vdW) interaction, conventional density functional theory (DFT) often fails in the description of molecular complexes and solids. In recent years, considerable progress has been made in the development of the vdW correction. However, the vdW correction based on the leading-order coefficient C{sub 6} alone can only achieve limited accuracy, while accurate modeling of higher-order coefficients remains a formidable task, due to the strong non-additivity effect. Here, we apply a model dynamic multipole polarizability within a modified single-frequency approximation to calculate C{sub 8} and C{sub 10} between small molecules. We find that the higher-order vdW coefficients from this model can achieve remarkable accuracy, with mean absolute relative deviations of 5% for C{sub 8} and 7% for C{sub 10}. Inclusion of accurate higher-order contributions in the vdW correction will effectively enhance the predictive power of DFT in condensed matter physics and quantum chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Surface Temperature Effect on Convective Heat Transfer Coefficients for Jet Impingement Cooling of Electric Machines with Automatic Transmission Fluid: Preprint

In this study, the results of NREL's continued work on experimental characterization of the thermal performance of free-surface jets of automatic transmission fluid impinged on a heated target surface are presented. The measured heat transfer coefficients are useful for understanding factors influencing performance of driveline fluid-based cooling systems for electric machines and help designers in developing high-performance, power-dense and reliable machines. Experiments were carried out for different fluid and target surface temperatures (50 degrees C, 70 degrees C, and 90 degrees C for the fluid and 90 degrees C, 100 degrees C, 110 degrees C, and 120 degrees C for the target surface). Impinging jet velocities (0.5 m/s to 7.5 m/s) and the jet position on the target surface (center versus edge) were also varied. The impinging angle was kept at 90 degrees relative to the target surface. It was found that higher target surface temperature increased heat transfer coefficients, namely, increasing surface temperature from 90 degrees C to 120 degrees C enhanced heat transfer coefficient values at higher impinged jet velocities (7.5 m/s) by up to 15%.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2016

THE GINI COEFFICIENT AS A MORPHOLOGICAL MEASUREMENT OF STRONGLY LENSED GALAXIES IN THE IMAGE PLANE

Characterization of the morphology of strongly lensed galaxies is challenging because images of such galaxies are typically highly distorted. Lens modeling and source plane reconstruction is one approach that can provide reasonably undistorted images from which morphological measurements can be made, though at the expense of a highly spatially variable telescope point-spread function (PSF) when mapped back to the source plane. Unfortunately, modeling the lensing mass is a time- and resource-intensive process, and in many cases there are too few constraints to precisely model the lensing mass. If, however, useful morphological measurements could be made in the image plane rather than the source plane, it would bypass this issue and obviate the need for a source reconstruction process for some applications. We examine the use of the Gini coefficient as one such measurement. Because it depends on the cumulative distribution of the light of a galaxy, but not the relative spatial positions, the fact that surface brightness is conserved by lensing means that the Gini coefficient may be well preserved by strong gravitational lensing. Through simulations, we test the extent to which the Gini coefficient is conserved, including by effects due to PSF convolution and pixelization, to determine whether it is invariant enough under lensing to be used as a measurement of galaxy morphology that can be made in the image plane.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Local composition activity coefficient model for mixed-gas adsorption equilibria

Taking into consideration the adsorbate–adsorbent interactions, a novel activity coefficient model is derived from the non-random two-liquid theory for mixed-gas adsorption equilibria. In contrast with the conventional activity coefficient models developed for bulk liquids, the new model correctly predicts negative deviations from ideality for adsorbed phase mixtures including azeotropic behavior exhibited by selected gas-adsorbent systems. Here, the requiring a single binary interaction parameter per adsorbate–adsorbate pair, the model successfully correlates wide varieties of binary adsorption isotherm data and it should be a powerful engineering thermodynamic tool in correlating and predicting mixed-gas adsorption equilibria.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

First-principles binary diffusion coefficients for H, H 2 and four normal alkanes + N 2

Collision integrals related to binary (dilute gas) diffusion are calculated classically for six species colliding with N 2 . The most detailed calculations make no assumptions regarding the complexity of the potential energy surface, and the resulting classical collision integrals are in excellent agreement with previous semiclassical results for H + N 2 and H 2 + N 2 and with recent experimental results for C n H 2n+2 + N 2 , n = 2–4. The detailed classical results are used to test the accuracy of three simplifying assumptions typically made when calculating collision integrals: (1) approximating the intermolecular potential as isotropic, (2) neglecting the internal structure of the colliders (i.e., neglecting inelasticity), and (3) employing unphysical R –12 repulsive interactions. The effect of anisotropy is found to be negligible for H + N 2 and H 2 + N 2 (in agreement with previous quantum mechanical and semiclassical results for systems involving atomic and diatomic species) but is more significant for larger species at low temperatures. For example, the neglect of anisotropy decreases the diffusion coefficient for butane + N 2 by 15% at 300 K. The neglect of inelasticity, in contrast, introduces only very small errors. Approximating the repulsive wall as an unphysical R –12 interaction is a significant source of error at all temperatures for the weakly interacting systems H + N 2 and H 2 + N 2 , with errors as large as 40%. For the normal alkanes in N 2 , which feature stronger interactions, the 12/6 Lennard–Jones approximation is found to be accurate, particularly at temperatures above –700 K where it predicts the full-dimensional result to within 5% (although with somewhat different temperature dependence). Overall, the typical practical approach of assuming isotropic 12/6 Lennard–Jones interactions is confirmed to be suitable for combustion applications except for weakly interacting systems, such as H + N 2 . For these systems, anisotropy and inelasticity can safely be neglected but a more detailed description of the repulsive wall is required for quantitative predictions. Moreover, a straightforward approach for calculating effective isotropic potentials with realistic repulsive walls is described. An analytic expression for the calculated diffusion coefficient for H + N 2 is presented and is estimated to have a 2-sigma error bar of only 0.7%.

74 ATOMIC AND MOLECULAR PHYSICS↗