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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 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Opposite Responses of the Dry and Moist Eddy Heat Transport Into the Arctic in the PAMIP Experiments

Given uncertainty in the processes involved in polar amplification, elucidating the role of poleward heat and moisture transport is crucial. The Polar Amplification Model Intercomparison Project (PAMIP) permits robust separation of the effects of sea ice loss from sea surface warming under climate change. We utilize a moist isentropic circulation framework that accounts for moisture transport, condensation, and eddy transport, in order to analyze the circulation connecting the mid-latitudes and the Arctic. In PAMIP's atmospheric general circulation model experiments, prescribed sea ice loss reduces poleward heat transport (PHT) by warming the returning moist isentropic circulation at high latitudes, while prescribed warming of the ocean surface increases PHT by strengthening the moist isentropic circulation. Inter-model spread of PHT into the Arctic reflects the tug-of-war between sea-ice and surface-warming effects.

58 GEOSCIENCES↗
DOE OSTI2018

Energetics of hydrogen and helium-vacancy complexes in bulk and near surfaces of tungsten: First-principles study

Understanding the interaction between hydrogen (H) and helium-vacancy (He-V) complexes in tungsten (W) is important for the development of plasma-facing materials in fusion reactors. H trapping by He x V y complexes in bulk W, as well as the H solution behavior and H trapping by He x V complexes near W(100), W(111), and W(110) surfaces, has been investigated by first-principles computer simulations using density function theory. The results show that the sequential H binding energies to He x V complexes in bulk W decrease with the increasing number of H and He. For the He x V 2 complexes in bulk W, H prefers to trap at interstitial sites near the junction of the di-vacancy, where the H can minimize the isosurface of optimal charge density. The most stable interstitial sites for H below W surfaces are dependent on the surface orientation. Our calculations indicate that H atoms tend to prefer a depth of 0.3 nm below the W(100) and W(111) surfaces due to the surface reconstruction. Here, the binding energy of H to a HeV complex near W surfaces has the most significant orientation dependence below the W(111) surface, followed by the W(100) and W(110) surfaces. Compared with the bulk value, the largest difference in the average binding energy of H to the stable He x V complexes at the three W surfaces is about 0.2 eV. Furthermore, the effect of surfaces on the H binding energy to He x V complexes can be ignored for depths greater than 0.65 nm.

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

Bonding Energy of Silicon and Sapphire Wafers at Elevated Temperatures of Joining

The hydrophilicity of surfaces and the bonding energy of silicon and sapphire wafers at the temperature of joining 50°C are studied. It is established that heating of the Si and Al{sub 2}O{sub 3} wafers to 50°C is accompanied by an increase in the degree of hydrophilicity of the wafer surfaces. The effect is attributed to improvement in the surface purity due to the desorption of impurity atoms into vacuum and to an increase in the density of dangling bonds. It is found that the bonding energy of silicon and sapphire wafers joined at a temperature of 50°C and upon further heating in the range 100–250°C is higher compared to the bonding energy of wafers joined at room temperature. The activation energy of the growth of the bonding energy is determined. It is found that this activation energy is 0.57 eV.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Surface Functionalized Barium Titanate Nanoparticles: A Combined Experimental and Computational Study

Barium titanate (BTO) nanoparticles show great potential for use in electrostatic capacitors with high energy density. This includes both polymer composite and sintered capacitors. However, questions about the nanoparticles' size distribution, amount of agglomeration, and surface ligand effect on performance properties remain. Reducing particle agglomeration is a crucial step to understanding the properties of nanoscale particles, as agglomeration has significant effects on the composite dielectric constant. BTO surface functionalization using phosphonic acids is known reduce BTO nanoparticle agglomeration. We explore solution synthesized 10 nm BTO particles with tert-butylphosphonic acid ligands. Recent methods to quantifying agglomeration using an epoxy matrix before imaging shows that tert-butylphosphonic acid ligands reduce BTO agglomeration by 33%. Thermometric, spectroscopic, and computational methods provide confirmation of ligand binding and provide evidence of multiple ligand binding modes on the BTO particle surface.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Functional Surface Coating to Enhance the Stability of LiNi 0.6 Mn 0.2 Co 0.2 O 2

Parasitic reactions are responsible for continuous performance loss during the normal operation and storage of lithium-ion batteries, particularly for those using nickel-rich cathode materials. Among many contributors, residual Li 2 CO 3 on the surface of nickel-rich cathodes plays a detrimental role in promoting parasitic reactions, and hence accelerates the performance loss of those cathode materials. In this work, a wet impregnation process was utilized to convert the detrimental Li 2 CO 3 and LiOH impurities into a beneficial functional surface coating comprising phosphates. Specifically, hydro-phosphates were used as the functional surface modification agents to mitigate the detrimental effect of surface residuals. The best electrochemical performance was achieved by modifying LiNi 0.6 Mn 0.2 Co 0.2 O 2 with a diluted dihydro-phosphate solution (pKa = 7.2), while the metal cation had a negligible impact on the electrochemical performance. This work provides a cheap and simple method for enabling the high performance of nickel-rich cathodes.

25 ENERGY STORAGE↗
NASA NTRS1975

Wear and interfacial transport of material

The paper is a review of adhesion or bonding across an interface between two solids in contact, transfer or transport to one or both surfaces, wear with tangential motion, and the effect of surface films on adhesion, transfer, and wear. The discussion is limited to the case of adhesive wear which deals with the interfacial transport of material from one surface to another. The data presented suggest that the resulting interfacial adhesive bond for metals in contact is generally stronger than the cohesive bond in the cohesively weaker of the two materials so that upon separation of the surfaces transfer will occur from the cohesively weaker material to the cohesively stronger; that with tangential motion of two metal surfaces in contact such as encountered with sliding, rolling, or rubbing contact, the frictional energy can be dissipated in a number of ways, where heating of the surfaces can produce metallurgical changes such as alloying; and that the presence of adsorbed and reacted films on the surface of metals and alloys even in frictions of a monolayer can reduce interfacial bonding, adhesion, and transfer.

Buckley, D. H.↗
NASA NTRS1992

A continuum method for modeling surface tension

In the novel method presented for modeling the effects of surface tension on fluid motion, the interfaces between fluids with different, color-represented properties are finite-thickness transition regions across which the color varies continuously. A force density proportional to the surface curvature of constant color is defined at each point in the transition region; this force-density is normalized in such a way that the conventional description of surface tension on an interface is recovered when the ratio of local transition-reion thickness to local curvature radius approaches zero. The properties of the method are illustrated by computational results for 2D flows.

Brackbill, J. U.↗
NASA NTRS1992

Melt-processing of lunar ceramics

The goal of this project is to produce useful ceramics materials from lunar resources using the by products of lunar oxygen production processes. Emphasis is being placed on both fabrication of a variety of melt-processed ceramics, and on understanding the mechanical properties of these materials. Previously, glass-ceramics were formed by casting large glass monoliths and heating these to grow small crystallites. The strengths of the resulting glass-ceramics were found to vary with the inverse square root of the crystal grain size. The highest strengths (greater than 300 MPa) were obtained with the smallest crystal sizes (less than 10 microns). During the past year, the kinetics of crystallization in simulated lunar regolith were examined in an effort to optimize the microstructure and, hence, mechanical properties of glass ceramics. The use of solar energy for melt-processing of regolith was examined, and strong (greater than 630 MPa) glass fibers were successfully produced by melt-spinning in a solar furnace. A study of the mechanical properties of simulated lunar glasses was completed during the past year. As on Earth, the presence of moisture was found to weaken simulated lunar glasses, although the effects of surface flaws was shown to outweigh the effect of atmospheric moisture on the strength of lunar glasses. The effect of atmospheric moisture on the toughness was also studied. As expected, toughness was found to increase only marginally in an anhydrous atmosphere. Finally, our efforts to involve undergraduates in the research lab fluorished this past year. Four undergraduates worked on various aspects of these projects; and two of them were co-authors on papers which we published.

Fabes, B. D.↗
NASA NTRS1959

Boundary-Layer Transition on Hollow Cylinders in Supersonic Free Flight as Affected by Mach Number and a Screwthread Type of Surface Roughness

The effects of Mach number and surface-roughness variation on boundary-layer transition were studied using fin-stabilized hollow-tube models in free flight. The tests were conducted over the Mach number range from 2.8 to 7 at a nominally constant unit Reynolds number of 3 million per inch, and with heat transfer to the model surface. A screwthread type of distributed two-dimensional roughness was used. Nominal thread heights varied from 100 microinches to 2100 microinches. Transition Reynolds number was found to increase with increasing Mach number at a rate depending simultaneously on Mach number and roughness height. The laminar boundary layer was found to tolerate increasing amounts of roughness as Mach number increased. For a given Mach number an optimum roughness height was found which gave a maximum laminar run greater than was obtained with a smooth surface.

James, Carlton S.↗
NASA NTRS1997

The Effects of Laterite and Associated Terrain Components on PBMR Response in HAPEX-Sahel

Terrain characteristics such as roughness and vegetation have been shown to significantly affect the interpretation of microwave brightness temperatures (T(B)s) for mapping soil moisture. This study, a part of the 1992 HAPEX-Sahel experiment (Hydrologic Atmospheric Pilot Experiment in the Sahel), aimed to determine the effects of laterite and associated terrain components (i.e. vegetation, soil, and exposed water bodies) on the T(B) response of the Pushbroom Microwave Radiometer (PBMR, L-band, 21 cm wavelength), using the NS001 Thematic Mapper Simulator data as a surrogate for ground data. Coincident PBMR and NS001 data acquired from the high altitude (about 1500 m) long transect flights were processed to obtain TBs and radiances, respectively. The transects covered a range of moisture conditions. For this preliminary evaluation, no atmospheric corrections were applied, and the data sets were aligned by matching the acquisition times of the data records. NS001 pixels (about 4 m) were averaged to approximate the resolution of the PBMR (about 450 m), before their flight line data were compared. The laterite plateaux were found to have a surprisingly strong effect on the PBMR T(B) response. T(B) variations along the flight line could largely be explained by a combination of density and dielectric properties of laterite. The effect of surface moisture was distinguishable from the laterite effect, with the distinction apparently related to the occurrence of ephemeral pools of water after rainfall. Model simulated T(B)s agreed reasonably well with the observed T(B)s.

Teng, William L.↗
NASA NTRS2018

Contributions to HiLiftPW-3 Using Structured, Overset Grid Methods

The High-Lift Common Research Model (HL-CRM) and the JAXA Standard Model (JSM) were analyzed computationally using both the OVERFLOW and LAVA codes for the third AIAA High-Lift Prediction Workshop. Geometry descriptions and the test cases simulated are described. With the HL-CRM, the effects of surface smoothness during grid projection and the effect of partially sealing a flap gap were studied. Grid refinement studies were performed at two angles of attack using both codes. For the JSM, simulations were performed with and without the nacelle/pylon. Without the nacelle/pylon, evidence of multiple solutions was observed when a quadratic constitutive relation is used in the turbulence modeling; however, using time-accurate simulation seemed to alleviate this issue. With the nacelle/pylon, no evidence of multiple solutions was observed. Laminar-turbulent transition modeling was applied to both JSM configuration, and had an overall favorable impact on the lift predictions.

HiLiftPW-3↗
NASA NTRS2018

Maps of Tethys' Thermophysical Properties

On 11th April 2015 Cassini's Composite Infrared Spectrometer (CIRS) made a series of observations of Tethys’ daytime anti-Saturn hemisphere over a nine-hour time period. During this time the sub-spacecraft position was remarkably stable (0.3° S to 3.9° S; 153.2° W to 221.8° W), and so these observations provide unprecedented coverage of diurnal temperature variations on Tethys’ anti-Saturn hemisphere. In 2012 a thermal anomaly was discovered at low latitudes on Tethys’ leading hemisphere; it appears cooler during the day and warmer at night than its surroundings (Howett et al., 2012) and is spatially correlated with a decrease in the IR3/UV3 visible color ratio (Schenk et al., 2011). The cause of this anomaly is believed to be surface alteration by high-energy electrons, which preferentially bombard low-latitudes of Tethys’ leading hemisphere (Schenk et al., 2011; Howett et al., 2012; Paranicas et al. 2014; Schaible et al., 2017). The thermal anomaly was quickly dubbed “Pac-Man” due to its resemblance to the 1980s video game icon. We use these daytime 2015 CIRS data, along with two sets of nighttime CIRS observations of Tethys (from 27 June 2007 and 17 August 2015) to make maps of bolometric Bond albedo and thermal inertia variations across the anti-Saturn hemisphere of Tethys (including the edge of its Pac-Man region). These maps confirm the presence of the Pac-Man thermal anomaly and show that while Tethys’ bolometric Bond albedo varies negligibly outside and inside the anomaly (0.69 plus or minus 0.02 inside, compared to 0.71 plus or minus 0.04 outside) the thermal inertia varies dramatically (29 plus or minus 10 J m−2 K−1 s−1/2 inside, compared to 9 plus or minus 4 J m−2 K−1 s−1/2 outside). These thermal inertias are in keeping with previously published values: 25 plus or minus 3 J m−2 K−1 s−1/2 inside, and 5 ± 1 J m−2 K−1 s−1/2 outside the anomaly (Howett et al., 2012). A detailed analysis shows that on smaller spatial-scales the bolometric Bond albedo does vary: increasing to a peak value at 180° W. For longitudes between approximately 100° W and approximately 160° W the thermal inertia increases from northern to southern latitudes, while the reverse is true for bolometric Bond albedo. The thermal inertia on Tethys generally increases towards the center of its leading hemisphere but also displays other notable small-scale variations. These thermal inertia and bolometric Bond albedo variations are perhaps due to differences in competing surface modification by E ring grains and high-energy electrons which both bombard Tethys’ leading hemisphere (but in different ways). A comparison between the observed temperatures and our best thermal model fits shows notable discrepancies in the morning warming curve, which may provide evidence of regional variations in surface roughness effects, perhaps again due to variations in surface alteration mechanisms.

Howett, C. J. A.↗
NASA NTRS2018

Taxi Time Comparison Before and After Surface Metering Using ASPM Data

In this taxi time analysis, the ASPM data before and after surface metering were compared to see the effects of surface metering on taxi-out/in times. Results show that the surface metering from ATD-2 technologies did no harm in taxi-out times at CLT. This was originally presented to the ATD-2 Analytics team in April 2018.

ATD-2↗
NASA NTRS2019

Retrieval of Vegetation Water Content Using Brightness Temperatures from the Soil Moisture Active Passive (SMAP) Mission

In this paper, we explore a time series approach to using the tau-omega (τ-ω) model to retrieve vegetation water content (kg/m2) with minimal use of ancillary data. Analytically, this approach calls for nonlinear optimization in two steps. First, multiple days of co-located brightness temperature observations are used to retrieve the effective vegetation opacity, which incorporates the combined radiometric and polarization effects of surface roughness and vegetation opacity. The resulting effective vegetation opacity is then used to retrieve vegetation water content to within a gain factor α and an offset factor β. By using a climatological vegetation water content ancillary database as the one adopted in the development of the SMAP standard and enhanced soil moisture products, α and β can be determined globally using the annual minimum and annual maximum of vegetation water content. The resulting values of α and β can then be used to reconstruct the retrieved vegetation water content. Formulation, assumptions, and limitations of this approach are presented alongside the preliminary global retrieval of vegetation water content using one year (2016) ofSMAP brightness temperature observations.

radiative transfer↗
DOE OSTI2019

Helium flux effects on bubble growth and surface morphology in plasma-facing tungsten from large-scale molecular dynamics simulations

We investigate helium flux effects on helium transport and surface evolution in plasma-facing tungsten using molecular dynamics. The simulations span two orders of magnitude, from ITER-relevant levels to those more typical of simulations published to date. Simulation times of up to 2.5 µs (corresponding to actual fluences of 1.4 x 10 21 m -2 ) are achieved, revealing concerted bubble-bursting events that are responsible for significant and very sudden changes in surface morphology. The depth distribution of helium depends very strongly on helium flux: helium self-trapping becomes more probable near the surface at high flux, and a layer of near-surface bubbles forms. Helium retention prior to the onset of bubble bursting is also substantially lower at low flux than it is at high flux. Surface features at low fluence are correlated with the positions of bubbles, but at high fluence, bubbles tend to coalesce, venting to the surface at one or more locations and leaving large interconnected cavities below the surface. Ruptured bubbles may serve as pathways deeper into the material, allowing helium to bypass the layer of near-surface bubbles and fill deeper, potentially much larger, bubbles that can produce more substantial surface features. Deeper bubbles also emit prismatic dislocation loops that can fill in cavities closer to the surface. Our results suggest that nearly all molecular dynamics simulations published to date are hampered by finite-size effects, and that helium flux is a very important parameter in determining the behavior of helium in plasma-facing components.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1987

The effect of along-front temperature variation in a two-dimensional primitive equation model of a surface frontogenesis

The effects of along-front temperature variations on the structure and evolution of surface fronts are investigated using a two-dimensional frontogenesis model. The formulation and characteristics of the confluence-horizontal shear model are described. The structures of three frontal zones forced by confluence and characterized by zero, negative, and positive along-front potential temperature variations are analyzed; particular attention is given to the ageostrophic vertical circulation and their forcings. The temporal evolution of the model frontal zones is examined in terms of the low-level maxima of vorticity, cross-front potential temperature gradient, and convergence. The kinematic and dynamic processes influencing the frontogenesis are discussed. It is noted that the two-dimensional model is applicable to the study of the dynamical properties of frontogenesis.

Keyser, Daniel↗
DOE OSTI2017

SERS Theory: The Chemical Effect of Rhodamine 6G Adsorption on Silver Surfaces on Its Raman Spectrum

The SERS spectra of small organic molecules can be very sensitive to the physisorption or chemisorption of the molecules onto metallic surfaces. However it is challenging to model the results, as typical SERS substrates have a broad distribution of possible surface sites, and the populations of these sites and the SERS enhancement factors associated with them are very difficult to determine, especially when electromagnetic hot spots dominate the observed spectra. However it is important to account for these effects if one is to make a quantitative interpretation of measured SERS spectra. Indeed, the influence of different sites is important to both the electromagnetic and chemical mechanisms in SERS, where the former mechanism is concerned with local field enhancement effects arising from plasmon excitation, while the latter arises from the effect of chemisorption induced charged transfer on the Raman intensities, as can be modeled using static limit Raman intensity calculations[1]. Extensive studies have been performed on simple organics like pyridine bound to gold and silver clusters, and it was found that both the chemical and electrodynamic enhancement factors associated with binding pyridine in various orientations result in noticeable changes in the SERS spectra compared to the gas phase spectrum of pyridine.[2] One of the most important benchmark molecules for SERS and TERS studies is Rhodamine 6G (R6G). This is a strongly fluorescent dye molecule in solution, but when adsorbed onto SERS substrates, its fluorescence is quenched, and the resulting SERS intensities are among the largest observed for any molecule. As a result R6G has played a crucial role in the development of single molecule SERS, and in the development of SERS substrates. [3, 4] Previously, the SERS spectrum of R6G has been modeled as if it were a gas phase molecule. Jensen and Schatz[5] incorporated resonant effects as well as vibronic effects and found that resonance excitation to the S1 excited state of R6G resulted in good agreement with spectra obtained from SERS experiments. In another study, intermolecular charge transfer was studied with R6G bound to a Ag2 cluster.[6] It is unclear if a cluster model as small as two silver atoms can accurately capture the surface effects of a nanoparticle with thousands of atoms. Recent single molecule, ultra high vacuum, tip enhanced Raman spectroscopy (SM-UHV-TERS) measurements for R6G[3] were moderately reproduced by gas phase resonance Raman calculations. Of particular importance in this work was the comparison of TERS spectra at room temperature with those at a low temperature of 10K. It was found that lowering the temperature led to both sharpening of the vibrational spectra, and shifts in the spectra (up to 20 cm-1 with some lines shifting red, some blue and some not at all), suggesting that the molecule transitions from a largely gas phase molecule at room temperature to being strongly chemisorbed at 10K. A potential energy distribution analysis performed by Chulhai and Jensen[3] showed that the modes that were shifted from the gas phase had vibrational activity associated with the ethylamine component of R6G, which is the likely moiety associated with Raman calculations. What remains unresolved concerning the SM-UHV-TERS studies of R6G is direct evidence that the chemical binding of R6G to a silver nanoparticle surfaces causes frequency shifts and/or intensity changes in the Raman scattering intensities of specific modes, especially those involving vibrations of the ethylamine moiety. The theoretical work described in this chapter directly addresses this issue by calculating Raman spectra for R6G interacting with a 20-atom silver cluster, and with a flat Ag(111) surface. Tetrahedral Ag20 is chosen for part of these studies as it provides a model nanoparticle structure that has a well-defined fragment of a (111) surface, as well as having edges and vertices that can be used to model coordinately unsaturated sites on a particle. In addition, Ag20 has been found to provide a reasonable reference structure for determining the chemical contribution to SERS enhancements.[1] Two different geometries of the Ag20/R6G system are considered in the present study, corresponding to two different binding configurations of R6G to a pristine Ag(111) surface. In addition, we study adsorption of R6G on a flat Ag(111) surface of using plane wave DFT calculations to determine optimized geometries and normal mode properties.

77 NANOSCIENCE AND NANOTECHNOLOGY↗