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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 1,513 records · Page 84

Anodic Hydrogen Generation from Benzaldehyde on Au, Ag, and Cu: Rotating Ring-Disk Electrode Studies

Aldehydes are selectively oxidized to carboxylates on group 11 metals at low potentials (<0.4 V vs. RHE) in alkaline media. This process can occur by a pathway that generates H 2 gas from the aldehyde, known as electro-oxidative dehydrogenation (EOD) or anodic hydrogen production. The EOD process occurs with transfer of only one electron per aldehyde, whereas typical oxidation with discharge of hydrogen to form water is a two-electron process. Here, we study the catalytic activity and selectivity toward H 2 of Au, Ag, and Cu electrodes using benzaldehyde with rotating disk and ring-disk electrode (RDE/RRDE) techniques. The average number of electrons per benzaldehyde molecule obtained via H 2 detection by RRDE agrees with that obtained via Koutecký-Levich analysis conducted at various rotation rates. We find that Au and Ag have much higher H 2 and benzoate formation rates than Cu, but that Cu can perform the reaction at about 0.2 V lower overpotentials. On all three materials, benzaldehyde oxidation has high selectivity to anodic H 2 (one-electron pathway) below ∼0.5 V vs. RHE, but, with increasing potential, the selectivity shifts to H-oxidation forming water (two-electron pathway).

Ramos, Nathanael C. (ORCID:0000000247210350)↗

Convergent spray process for environmentally friendly coatings

Conventional spray application processes have poor transfer efficiencies, resulting in an exorbitant loss in materials, solvents, and time. Also, with ever tightening Environmental Protection Agency (EPA) regulations and Occupational Safety and Health Administration requirements, the low transfer efficiencies have a significant impact on the quantities of materials and solvents that are released into the environment. High solids spray processes are also limited by material viscosities, thus requiring many passes over the surface to achieve a thickness in the 0.125 -inch range. This results in high application costs and a negative impact on the environment. Until recently, requirements for a 100 percent solid sprayable, environmentally friendly, lightweight thermal protection system that can be applied in a thick (greater than 0.125 inch) single-pass operation exceeded the capability of existing systems. Such coatings must be applied by hand lay-up techniques, especially for thermal and/or fire protection systems. The current formulation of these coatings has presented many problems such as worker safety, environmental hazards, waste, high cost, and application constraints. A system which can apply coatings without using hazardous materials would alleviate many of these problems. Potential applications include the aerospace thermal protective specialty coatings, chemical and petroleum industries that require fire-protection coatings that resist impact, chemicals, and weather. These markets can be penetrated by offering customized coatings applied by automated processes that are environmentally friendly.

Scarpa, Jack↗

Large Scale GPU Accelerated PPMLR-MHD Simulations for Space Weather Forecast

PPMLR-MHD is a new magnetohydrodynamics (MHD) model used to simulate the interactions of the solar wind with the magnetosphere, which has been proved to be the key element of the space weather cause-and-effect chain process from the Sun to Earth. Compared to existing MHD methods, PPMLR-MHD achieves the advantage of high order spatial accuracy and low numerical dissipation. However, the accuracy comes at a cost. On one hand, this method requires more intensive computation. On the other hand, more boundary data is subject to be transferred during the process of simulation. In this work, we present a parallel hybrid solution of the PPMLR-MHD model implemented using the computing capabilities of both CPUs and GPUs. We demonstrate that our optimized implementation alleviates the data transfer overhead by using GPU Direct technology and can scale up to 151 processes and achieve significant performance gains by distributing the workload among the CPUs and GPUs on Titan at Oak Ridge National Laboratory. The performance results show that our implementation is fast enough to carry out highly accurate MHD simulations in real time.

Computer Science↗

Near-infrared down-conversion in rare-earth-doped chloro-sulfide glass GeS{sub 2}-Ga{sub 2}S{sub 3}-CsCl: Er, Yb

Chloro-sulfide glass with low phonon energy, GeS{sub 2}-Ga{sub 2}S{sub 3}-CsCl, is co-doped with Er and Yb. This active glass is a potential downconversion material for modifying the solar spectrum to improve the efficiency of solar cells. Two downconversion processes from visible to near infrared are observed. In the first process, an energy transfer between Er{sup 3+} ions and Yb{sup 3+} ions occurs. In that case, one photon is absorbed by the {sup 4}I{sub 15/2}{yields}{sup 2}H{sub 11/2} (Er{sup 3+}) transition and then two photons are emitted by {sup 2}F{sub 5/2}{yields}{sup 2}F{sub 7/2} (Yb{sup 3+}) and {sup 4}I{sub 13/2}{yields}{sup 4}I{sub 15/2} (Er{sup 3+}), respectively. In the second process, downconversion takes place from the charge-transfer state of Yb{sup 3+}-S{sup 2-} to the 4f states of Yb{sup 3+} ions, which leads to an intense excitation band between 400 nm and 600 nm, and an emission at 1000 nm. Quantum yields for downconversion are measured. The highest quantum yields of emission below 1200 nm and 1650 nm are equal to 51% and 76%, respectively.

36 MATERIALS SCIENCE↗

Toward ultrafast soft x-ray spectroscopy of organic photovoltaic devices

Novel ultrafast x-ray sources based on high harmonic generation and at x-ray free electron lasers are opening up new opportunities to resolve complex ultrafast processes in condensed phase systems with exceptional temporal resolution and atomic site specificity. In this perspective, we present techniques for resolving charge localization, transfer, and separation processes in organic semiconductors and organic photovoltaic devices with time-resolved soft x-ray spectroscopy. We review recent results in ultrafast soft x-ray spectroscopy of these systems and discuss routes to overcome the technical challenges in performing time-resolved x-ray experiments on photosensitive materials with poor thermal conductivity and low pump intensity thresholds for nonlinear effects.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Dynamic condensation model of rolling droplets for high-performance heat transfer

Condensation is a critical process during vapor-liquid phase change in relation to heat transfer. To achieve a high heat transfer coefficient, the classical model for dropwise condensation requires a low contact angle and low contact angle hysteresis, failing to align with experimental observations on a hydrophobic and slippery quasi-liquid surface (QLS). Here, we report a dynamic condensation model that incorporates high-frequency condensate removal by emphasizing the role of timescale during droplet growth and shedding. Our model agrees well with the experimental result that a surface with high contact angle and low contact angle hysteresis promotes condensation, particularly during rolling-propelled condensate removal. Particle image velocimetry reveals that rolling droplets on a hydrophobic QLS exhibit 4-fold higher shedding speeds than the sliding droplets on a hydrophilic QLS, leading to significant heat transfer enhancement. This work deepens our theoretical understanding of condensation heat transfer and provides advanced physics-informed design rationales for water and energy systems.

42 ENGINEERING↗

Fully coupled simulation of cosmic reionization. I. numerical methods and tests

Here, we describe an extension of the Enzo code to enable fully coupled radiation hydrodynamical simulation of inhomogeneous reionization in large similar to(100 Mpc)(3) cosmological volumes with thousands to millions of point sources. We solve all dynamical, radiative transfer, thermal, and ionization processes self-consistently on the same mesh, as opposed to a postprocessing approach which coarse-grains the radiative transfer. But, we employ a simple subgrid model for star formation which we calibrate to observations. The numerical method presented is a modification of an earlier method presented in Reynolds et al. differing principally in the operator splitting algorithm we use to advance the system of equations. Radiation transport is done in the gray flux-limited diffusion (FLD) approximation, which is solved by implicit time integration split off from the gas energy and ionization equations, which are solved separately. This results in a faster and more robust scheme for cosmological applications compared to the earlier method. The FLD equation is solved using the hypre optimally scalable geometric multigrid solver from LLNL. By treating the ionizing radiation as a grid field as opposed to rays, our method is scalable with respect to the number of ionizing sources, limited only by the parallel scaling properties of the radiation solver. We test the speed and accuracy of our approach on a number of standard verification and validation tests. We show by direct comparison with Enzo's adaptive ray tracing method Moray that the well-known inability of FLD to cast a shadow behind opaque clouds has a minor effect on the evolution of ionized volume and mass fractions in a reionization simulation validation test. Finally, we illustrate an application of our method to the problem of inhomogeneous reionization in a 80 Mpc comoving box resolved with 3200(3) Eulerian grid cells and dark matter particles.

79 ASTRONOMY AND ASTROPHYSICS↗

Fourth moments reveal the negativity of the Wigner function

The presence of unique quantum correlations is the core of quantum-information processing and general quantum theory. We address the fundamental question of how quantum correlations of a generic quantum system can be probed using correlation functions defined for quasiprobability distributions. In particular, we discuss the possibility of probing the negativity of a quasiprobability by comparing moments of the Wigner function. We show that one must take at least the fourth moments to find the negativity in general and the eighth moments for states with a rotationally invariant Wigner function.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Program for transfer research and impact studies

Research activities conducted under the program for Transfer Research and impact studies are reviewed. Programs include: Tech Brief - Technical Support Package (TSP) Program; transfer documentation; and technology transfer profiles. An analysis of user behavior patterns is made by studying questionnaires filled out by users of the Tech Brief - TSP program. The process of technology transfer is discussed in terms of improving its effectiveness.

Rusnak, J.↗

Development and Characterization of Laser-Induced Incandescence Towards Nanoparticle (Soot) Detection

The production of particulates, notably soot, during combustion has both positive and negative ramifications. Exhaust from diesel engines under load (for example, shifting gears), flickering candle flames and fireplaces all produce soot leaving a flame. From an efficiency standpoint, emission of soot from engines, furnaces or even a simple flickering candle flame represents a loss of useful energy. The emission of soot from diesel engines, furnaces, power generation facilities, incinerators and even simple flames poses a serious environmental problem and health risk. Yet some industries intentionally produce soot as carbon black for use in inks, copier toner, tires and as pigments. Similarly, the presence of soot within flames can act both positively and negatively. Energy transfer from a combustion process is greatly facilitated by the radiative heat transfer from soot yet radiative heat transfer also facilitates the spread of unwanted fires. To understand soot formation and develop control strategies for soot emission/formation, measurements of soot concentration in both practical devices such as engines and controlled laboratory flames are necessary. Laser-induced incandescence (LII) has been developed and characterized to address this need, as described here.

VanderWal, Randy L.↗

A new hue capturing technique for the quantitative interpretation of liquid crystal images used in convective heat transfer studies

A new image processing based color capturing technique for the quantitative interpretation of liquid crystal images used in convective heat transfer studies is presented. This method is highly applicable to the surfaces exposed to convective heating in gas turbine engines. It is shown that, in the single-crystal mode, many of the colors appearing on the heat transfer surface correlate strongly with the local temperature. A very accurate quantitative approach using an experimentally determined linear hue vs temperature relation is found to be possible. The new hue-capturing process is discussed in terms of the strength of the light source illuminating the heat transfer surface, the effect of the orientation of the illuminating source with respect to the surface, crystal layer uniformity, and the repeatability of the process. The present method is more advantageous than the multiple filter method because of its ability to generate many isotherms simultaneously from a single-crystal image at a high resolution in a very time-efficient manner.

Camci, C.↗

High multi-photon visible upconversion emissions of Er{sup 3+} singly doped BiOCl microcrystals: A photon avalanche of Er{sup 3+} induced by 980 nm excitation

Under 980 nm excitation, high multi-photon upconversion (UC) emission from the {sup 2}H{sub 11/2}/{sup 4}S{sub 3/2} (green) and {sup 4}F{sub 9/2} (red) levels of Er{sup 3+} ions were observed from Er{sup 3+} singly doped BiOCl microcrystals. These high-energy excited states were populated by a three to ten photon UC process conditionally, which depended on the pump power density and the Er{sup 3+} ion doping concentration, characterizing as a hetero-looping enhanced energy transfer avalanche UC process. UC emission lifetime and Raman analysis suggest that the unusual UC phenomena are initiated by the new and intense phonon vibration modes of BiOCl lattices due to Er{sup 3+} ions doping.

36 MATERIALS SCIENCE↗

Low Viscosity Imides Based on Asymmetric Oxydiphthalic Anhydride

A series of low-melt viscosity imide resins were prepared from asymmetric oxydiphthalic dianhydride (a-ODPA) and 4-phenylethynylphthalic anhydride as the endcap, along with 3,4' - oxydianiline (3,4' -ODA), 3,4' -methylenedianiline (3,4' -MDA), 3,3' -methylenedianiline (3,3' - MDA) and 3,3'-diaminobenzophenone (3,3'-DABP), using a solvent-free melt process. These imide oligomers displays low-melt viscosities (2-15 poise) at 260-280 C, which made them amenable to low-cost resin transfer molding (RTM) process. The a-ODPA based RTM resins exhibits glass transition temperatures (Tg's) in the range of 265-330 C after postcure at 343 C. The mechanical properties of these polyimide/carbon fiber composites fabricated by RTM will be discussed.

Chuang, Kathy C.↗

Process-level model evaluation: a snow and heat transfer metric

Land models require evaluation in order to understand results and guide future development. Examining functional relationships between model variables can provide insight into the ability of models to capture fundamental processes and aid in minimizing uncertainties or deficiencies in model forcing. This study quantifies the proficiency of land models to appropriately transfer heat from the soil through a snowpack to the atmosphere during the cooling season (Northern Hemisphere: October–March). Using the basic physics of heat diffusion, we investigate the relationship between seasonal amplitudes of soil versus air temperatures due to insulation from seasonal snow. Observations demonstrate the anticipated exponential relationship of attenuated soil temperature amplitude with increasing snow depth and indicate that the marginal influence of snow insulation diminishes beyond an effective snow depth of about 50 cm. A snow and heat transfer metric (SHTM) is developed to quantify model skill compared to observations. Land models within the CMIP5 experiment vary widely in SHTM scores, and deficiencies can often be traced to model structural weaknesses. The SHTM value for individual models is stable over 150 years of climate, 1850–2005, indicating that the metric is insensitive to climate forcing and can be used to evaluate each model's representation of the insulation process.

58 GEOSCIENCES↗

Active Modes and Dynamical Balances in MRI Turbulence of Keplerian Disks with a Net Vertical Magnetic Field

Her,e we studied dynamical balances in magnetorotational instability (MRI) turbulence with a net vertical field in the shearing box model of disks. Analyzing the turbulence dynamics in Fourier ($\boldsymbol{k}$-)space, we identified three types of active modes that define the turbulence characteristics. These modes have lengths similar to the box size, i.e., lie in the small wavenumber region in Fourier space labeled "the vital area" and are (i) the channel mode, uniform in the disk plane with the smallest vertical wavenumber; (ii) the zonal flow mode, azimuthally and vertically uniform with the smallest radial wavenumber; and (iii) the rest (parasitic) modes. The rest modes comprise those harmonics in the vital area whose energies reach more than 50% of the maximum spectral energy. The rest modes individually are not so significant compared to the channel and zonal flow modes; however, the combined action of their multitude is dominant over these two modes. These three mode types are governed by the interplay of the linear and nonlinear processes, leading to their interdependent dynamics. The linear processes consist of disk flow nonmodality modified classical MRI with a net vertical field. The main nonlinear process is the transfer of modes over wavevector angles in Fourier space—the transverse cascade. The channel mode exhibits episodic bursts supplied by linear MRI growth, while the nonlinear processes mostly oppose this, draining the channel energy and redistributing it to the rest modes. As for the zonal flow, it does not have a linear source and is fed by nonlinear interactions of the rest modes.

79 ASTRONOMY AND ASTROPHYSICS↗

Reversible inhibition and reactivation of electron transfer in photosystem I

In photosystem I (PSI) complexes at room temperature light induced electron transfer can proceed down multiple protein-cofactor branches, and the process can be an order of magnitude faster on one branch compared to the other. One factor that might contribute to this branch asymmetry is a tryptophan amino acid at position 673 on the psaB protein. This amino acid is located between two of the pigments involved in electron transfer on the psaB protein branch. The corresponding residue on the psaA protein branch is a glycine amino acid. Microsecond time-resolved step-scan FTIR difference spectroscopy at 77 K has been used to study isolated PSI complexes from wild type and a mutant where the tryptophan residue was changed to phenylalanine. Photoaccumulated FTIR difference spectra indicate changes in the protein structure upon mutation. In the mutant we also find that the electron transfer processes is inhibited following long periods of repetitive flash illumination at room temperature. This is due to double protonation of the pigment involved in electron transfer. However, we show that we can restore electron transfer functionality by incubating the light-treated mutant PSI samples in the presence of newly added (not protonated) pigment.

59 BASIC BIOLOGICAL SCIENCES↗

Turbulent solutions of the equations of fluid motion

Some turbulent solutions of the unaveraged Navier-Stokes equations (equations of fluid motion) are reviewed. Those equations are solved numerically in order to study the nonlinear physics of incompressible turbulent flow. Initial three-dimensional cosine velocity fluctuations and periodic boundary conditions are used in most of the work considered. The three components of the mean-square velocity fluctuations are initially equal for the conditions chosen. The resulting solutions show characteristics of turbulence such as the linear and nonlinear excitation of small-scale fluctuations. For the stronger fluctuations, the initially nonrandom flow develops into an apparently random turbulence. Thus randomness or turbulence can arise as a consequence of the structure of the Navier-Stokes equations. The cases considered include turbulence which is statistically homogeneous or inhomogeneous and isotropic or anisotropic. A mean shear is present in some cases. A statistically steady-state turbulence is obtained by using a spatially periodic body force. Various turbulence processes, including the transfer of energy between eddy sizes and between directional components, and the production, dissipation, and spatial diffusion of turbulence, are considered. It is concluded that the physical processes occurring in turbulence can be profitably studied numerically.

Deissler, R. G.↗

Turbulent solutions of equations of fluid motion

Some turbulent solutions of the unaveraged Navier-Stokes equations (equations of fluid motion) are reviewed. Those equations are solved numerically in order to study the nonlinear physics of incompressible turbulent flow. The three components of the mean-square velocity fluctuations are initially equal for the conditions chosen. The resulting solutions show characteristics of turbulence, such as the linear and nonlinear excitation of small-scale fluctuations. For the stronger fluctuations the initially nonrandom flow develops into an apparently random turbulence. The cases considered include turbulence that is statistically homogeneous or inhomogeneous and isotropic or anisotropic. A statistically steady-state turbulence is obtained by using a spatially periodic body force. Various turbulence processes, including the transfer of energy between eddy sizes and between directional components and the production, dissipation, and spatial diffusion of turbulence, are considered. It is concluded that the physical processes occurring in turbulence can be profitably studied numerically.

Deissler, R. G.↗