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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Localized Phonon Densities of States at Grain Boundaries in Silicon

Since it is now possible to record vibrational spectra at nanometer scales in the electron microscope, it is of interest to explore whether extended defects in crystals such as dislocations or grain boundaries will result in measurable changes of the phonon densities of states (dos) that are reflected in the spectra. Phonon densities of states were calculated for a set of high angle grain boundaries in silicon. The boundaries are modeled by supercells with up to 160 atoms, and the vibrational densities of states were calculated by taking the Fourier transform of the velocity–velocity autocorrelation function from molecular dynamics simulations with larger supercells doubled in all three directions. In selected cases, the results were checked on the original supercells by comparison with the densities of states obtained by diagonalizing the dynamical matrix calculated using density functional theory. Near the core of the grain boundary, the height of the optic phonon peak in the dos at 60 meV was suppressed relative to features due to acoustic phonons that are largely unchanged relative to their bulk values. This can be attributed to the variation in the strength of bonds in grain boundary core regions where there is a range of bond lengths.

Materials Science↗
DOE OSTI2024

Facets control charge separation during photoelectrochemical water oxidation with strontium titanate (SrTiO 3 ) single crystals

The photocatalytic overall water splitting reaction provides a pathway to hydrogen fuel from sunlight. Photocatalysts must achieve the reaction without the application of an external bias, which requires an effective charge separation mechanism. Photolabeling studies and electrostatic simulations for the well-known CoOOH/Al:SrTiO 3 /Rh/Cr 2 O 3 photocatalyst suggest that charge separation is driven by work function differences at the (100) and (110) facets of SrTiO 3 , which are electron and hole selective, respectively. Here we use hydrogen annealed SrTiO 3–x single crystals to obtain the first quantitative assessment of the charge separation ability of the (100), or (110), or (111) facets during oxygen evolution. Under UV illumination (60 mW cm –2 ), the crystals exhibit variable water oxidation photocurrents (0.34, 0.82, 1.36 mA cm –2 at 1.23 V versus RHE) and photovoltage values of 1.40, 1.52 and 1.52 V for (100), (110), and (111) SrTiO 3–x , respectively. A surface photovoltage increase in that same order (0.31 V < 0.57 V < 0.67 V) is confirmed independently with vibrating Kelvin probe surface photovoltage spectroscopy (VKP-SPV) under 375 nm (1.91 mW cm –2 ) illumination. Mott Schottky measurements in aqueous K 3/4 [Fe(CN) 6 ] reveal facet-dependent flatband positions of –0.58, –0.71, and –0.74 V RHE for the (100), (110), and (111) crystals respectively. This confirms that the photoelectrochemical water oxidation performance of SrTiO 3–x crystals is controlled by the work function of each facet, which determines the electron transfer barrier height of the respective solid–liquid junctions. After correcting for differences in electron donor concentrations, barriers are found to increase in the order (100) < (111) < (110) and differ by as much as 0.16 eV, similar to an earlier prediction. Altogehter, these results explain the charge separation mechanism in SrTiO 3 photocatalysts and highlight the need for faceted semiconductor crystals as light absorbers in particle-based photocatalysts.

08 HYDROGEN↗
NASA NTRS1975

Effect of small ionospheric irregularities on radio wave absorption

The ionospheric absorption of a radio wave caused by small-scale irregularities with a gaussian autocorrelation function is calculated for various values of the linear scale height, the radio frequency, the scale size of the irregularities, and the mean-square fractional electron density fluctuations. The absorption is due to scattering of the radio wave into plasma oscillations by the irregularities. It is concluded that the absorption due to such irregularities with a mean-square fractional electron density deviation greater than about 0.000001 exceeds the normal collisional height-integrated absorption. Absorption of this type could play a significant part in heating experiments or in an ionosphere containing naturally occurring irregularities.

Chen, H. C.↗
NASA NTRS1978

A new use of high resolution magnetograms

Ground-based solar magnetograms are frequently in error by as much as twenty percent and contribute to the poor correlation between magnetic changes and solar flares. High resolution measurement of the magnetic field component, which is normal to the photosphere and measured at photospheric height, can be used to construct a magnetic flux partition function F. Therefore, dF/dt is an EMF which drives atmospheric currents in reconnecting solar active regions. With a high quality magnetograph, the solar probe can be used to obtain good estimates of F and dF/dt and thereby the energy stored as induced solar atmospheric currents during quiescent interflare periods. Should a flare occur during a favorable observing period, the present method of analysis should show characteristic signatures in F, DF/dt, and especially, in the stored flux computed from dF/dt.

Baum, P. J.↗
NASA NTRS1980

Investigations of medium wavelength magnetic anomalies in the eastern Pacific using MAGSAT data

The computer program package for dealing with MAGSAT data was refined and a program listing and deck of cards was forwarded for use by interested investigators. Instead of doing equivalent source calculations, it is proposed to use spherical harmonics to model the observed data since spherical harmonic functions are orthogonal and addition of higher degree and order harmonics can be done without recalculation of the harmonics of lower degree and order already calculated. These functions are much more easy to manipulate in that the height of the term of the observation can be taken care of with great facility. Downward calculation (after suitable filtering) can also be performed very simply.

Harrison, C. G. A.↗
NASA NTRS1981

On the maintenance of the Venus nightside ionosphere - Electron precipitation and plasma transport

The relative contributions of electron precipitation and transport of dayside plasma to the maintenance of the Venus nightside ionosphere during the long Venusian night are investigated based on simultaneous Pioneer Venus Orbiter Retarding Potential Analyzer measurements of suprathermal electron fluxes and plasma densities. In about 20 orbits, the nightside integral electron flux of electrons with energies between 5 and 45 eV is observed to be relatively constant in time and altitude, while plasma density is observed to vary by a factor of 10 or more with no correlation with the electron flux. Ionization rates and ion density height profiles are computed for O(+) and O2(+) as a function of magnetic dip angle based on a typical electron spectrum, or a downward flux of O(+) ions. Comparison of the computed profiles with the measured median O(+) and O2(+) density profiles reveals that the measured profiles can only be reproduced by a downward flux of O(+) equal to about 10 to the 8th/sq cm per sec; suprathermal electron energy distributions produce O2(+) and O(+) levels only about half and one tenth those usually observed, respectively. It is thus concluded that transport of O(+) ions from the dayside Venus ionosphere is responsible for approximately 75% of the typical nightside ionization, with variations in O(+) transport mechanism responsible for most of the observed nightside density variations. The remaining ionization is attributed to suprathermal electrons, which contribute principally to the O2(+) peak.

Spenner, K.↗
NASA NTRS1985

A comparison of in situ and airborne radar observations of ocean wave directionality

The directional spectrum of a fully arisen, about 3 m sea as measured by an experimental airborne radar, the NASA K(u)-band radar ocean wave spectrometer (ROWS), is compared to reference pitch-roll buoy data and to the classical SWOP (stereo wave observations project) spectrum for fully developed conditions. The ROWS spectrum, inferred indirectly from backscattered power measurements at 5-km altitude, is shown to be in excellent agreement with the buoy spectrum. Specifically, excellent agreement is found between the two nondirectional height spectra, and mean wave directions and directional spreads as functions of frequency. A comparison of the ROWS and SWOP spectra shows the two spectra to be very similar, in detailed shape as well as in terms of the gross spreading characteristics. Both spectra are seen to exhibit bimodal structures which accord with the Phillips' (1958) resonance mechanism. This observation is thus seen to support Phillips' contention that the SWOP modes were indeed resonance modes, not statistical artifacts.

Jackson, F. C.↗
NASA NTRS1986

The frequency spectrum of C sub n sup 2 from MST radar data

In a recent study (Nastrom et al., 1986), the variability of the refractivity turbulence structure constant, C sub n(2), was examined using observations from the stratosphere troposphere/mesosphere stratosphere troposphere (ST/MST) radar at Poker Flat, Alaska, and Platteville, Colorado. Variations of C2 with height, season, and weather conditions were examined. Also, the autocorrelation function and the frequency distribution of C sub n(2) were studied, and it was shown that C sub n(2), follows a log-normal frequency distribution. One of the more tentative results given in that paper is a first look at the spectrum of log C sub n(2), as a function of frequency at Poker Flat. This spectrum appears to obey a power law relation with frequency, P(F) approx. F(k), with k near -5/3 at periods between about 4 hours and 6 days, and with k near -1 at shorter periods. Power law behavior of a spectrum often helps us to infer the underlying dynamics which give rise to this spectrum, and it is thus of some concern to establish further confidence in the spectral shape. The purpose here is to address these questions.

Nastrom, G. D.↗
NASA NTRS1992

Potential vorticity index vacillation in the 1978/79 winter - Its relation to teleconnnection patterns

The time series of the potential vorticity (PV) index, defined as a measure of the zonally averaged midlatitude PV gradient on the 30 K isentropic surface in the Northern Hemisphere, is studied. The time series and other indices, their variations, and their correlations in the frequency domain are investigated. Teleconnection patterns based on the spatial representation of cross-correlation functions between the PV index and 500 mb geopotential-height anomaly are presented. The rhythm of atmospheric motion organized by the PV dynamics is shown.

Weng, Heng-Yi↗
DOE OSTI2020

Minimum Detectable Quantity Calculation for Radiation Portal Monitors

The minimum detectable quantity of a radiation portal monitor is the smallest amount of radioactive material that can be detected passing through the monitor (with a specified detection probability). The minimum detectable quantity is a function of many factors, including isotope, velocity, distance between pillars, height of portal and vehicle, source distribution and position, background radiation, background suppression, detector volume and positions, detector efficiency, decision metrics and algorithms, the presence of NORM (naturally occurring radioactive material), and alarm thresholds. Experimentally testing a radiation portal monitor to failure for all combinations of these factors is extremely time-consuming and often cost prohibitive. This document outlines a straightforward method for quickly estimating the minimum detectable quantity for moving sources over a large variety of conditions with a minimal number of static measurements. The document also describes a proof of concept software application that the International Atomic Energy Agency has designed based on the described method that can be used by Member States to estimate a monitor’s minimum detectable quantity.

Blessinger, Christopher S.↗
NASA NTRS2018

Physics-Based Retrieval of Surface Roughness Parameters for Bare Soils from Combined Active-Passive Microwave Signatures

In the past the effect of soil roughness was often considered secondary within the determination of soil moisture from remote sensing data. Several studies showed that accurate determination of soil roughness leads to an improved estimation of soil moisture. Two default parameters to describe the surface roughness are the standard deviation of the surface height variation 𝑠 and the surface correlation length 𝑙 with its corresponding autocorrelation function. Both parameters (𝑠,𝑙) affect the emissivity measured by radiometers as well as the backscattering observed by radars. In this study, we develop a physics-based approach to retrieve 𝑠 and 𝑙 by combining both microwave signals based on active-passive microwave covariation. To test the approach, containing a forward model and a retrieval algorithm, we used active/passive microwave data measured with the ComRAD truck-based SMAP simulator at L-band. Results and validations with corresponding field measurements on ground show that 𝑠 and 𝑙 can be estimated simultaneously when using this approach. The physics-based retrieval algorithm works robustly for two investigated test fields having an RMS-Error of 0.68 cm and 0.69 cm between the microwave-based and field-measured 𝑠-values, and of 3.13 cm and 3.04 cm for 𝑙-values. The first validation of the results reveals that the influence of the autocorrelation function, needed within the retrieval, is distinct.

correlation length↗
NASA NTRS2002

Optimal Extraction with Sub-sampled Line-Spread Functions

STIS long-slit medium resolution spectra reduced in CALSTIS extended-source mode with narrow extraction heights (GWIDTH=3 pixels) show photometric uncertainties of +/- 3% relative to point-source extractions. These uncertainties are introduced through interpolation in the spectral image rectification processing stage, and are correlated with the number of pixel crossings the spectral profile core encounters in the spatial direction. The line-spread-function may be determined as a function of pixel crossing- position from calibration data sub-sampled in the spatial direction. This line spread function will be applied to science data to perform optimal extractions and point- source de-blending. Wavelength and breathing effects will be studied. Viability of the method to de-convolve extended source 'blobs' will be investigated.

Collins, Nicholas R.↗
NASA NTRS2016

Additive Manufacturing and Characterization of Polylactic Acid (PLA) Composites Containing Metal Reinforcements

Additive manufacturing of polymeric systems using 3D printing has become quite popular recently due to rapid growth and availability of low cost and open source 3D printers. Two widely used 3D printing filaments are based on polylactic acid (PLA) and acrylonitrile butadiene styrene (ABS) systems. PLA is much more environmentally friendly in comparison to ABS since it is made from renewable resources such as corn, sugarcane, and other starches as precursors. Recently, polylactic acid-based metal powder containing composite filaments have emerged which could be utilized for multifunctional applications. The composite filaments have higher density than pure PLA, and the majority of the materials volume is made up of polylactic acid. In order to utilize functionalities of composite filaments, printing behavior and properties of 3-D printed composites need to be characterized and compared with the pure PLA materials. In this study, pure PLA and composite specimens with different metallic reinforcements (Copper, Bronze, Tungsten, Iron, etc) were 3D printed at various layer heights and resulting microstructures and properties were characterized. Differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) behavior of filaments with different reinforcements were studied. The microscopy results show an increase in porosity between 3-D printed regular PLA and the metal composite PLA samples, which could produce weaker mechanical properties in the metal composite materials. Tensile strength and fracture toughness behavior of specimens as a function of print layer height will be presented.

brass↗
NASA NTRS1987

Extended active space CASSCF/MRSD CI calculations of the barrier height for the reaction O + H2 yields OH + H

The convergence of the barrier height for the O + H2 yields OH + H reaction is studied as a function of the size of the active space in the CASSCF calculation and the size of the basis set. The basis set employed in this study is described. The sources of the differences between the POL-CI and MRSD-CI calculations for barrier height are examined. It is observed that the barrier height is rapidly convergent with respect to the expansion of the active space. The effects of adding active orbitals on the barrier height are investigated. The barrier height estimated from corrected MRSD-CI data is 12.4 kcal/mol.

Walch, Stephen P.↗
DOE OSTI2025

Fine-scale vegetation composition and structure shape spatiotemporal variation in surface albedo across a low Arctic tundra landscape

The unprecedented rate of warming in the Arctic is driving changes in the structure and composition of tundra vegetation. Increases in deciduous tall shrub cover, height, and density are of particular concern, as these changes alter local surface albedo in ways that could amplify effects on the regional surface energy budget (SEB). Despite this importance, significant uncertainties remain in understanding the interplay between fine-scale vegetation patterns and emergent albedo dynamics across space and time. Here, we address these uncertainties by (1) quantifying spatiotemporal variation in surface shortwave albedo and (2) determining the relative influence of fine-scale vegetation composition, structure, and environmental conditions on albedo across a representative low-Arctic tundra landscape on Alaska’s Seward Peninsula. To do this, we synthesized multi-scale, multi-platform remote sensing observations, including a novel Landsat-derived albedo time series, a fine-scale map of Arctic plant functional type (PFT) fractional cover, and airborne LiDAR estimates of canopy height and topography. We show that there are substantial reductions in winter albedo for pixels dominated by tall, woody PFTs (28.13%) relative to pixels dominated by non-woody vegetation, but almost no change in summer albedo (3% increase). Further, we identified a unimodal trend in the relationship between canopy height and the timing of the springtime transition from high (snowy) to low (leafy) albedo (peak at 5.5 m), possibly because of competing ‘snow-fence’ and ‘protrusion’ snow-shrub interactions. To explore the primary drivers of albedo, we constructed a random forest model and found that canopy height and the fractional cover of woody PFTs were as- or more important predictors of winter albedo than topographic features. These findings provide strong evidence for the impacts of local vegetation characteristics on regional surface albedo, highlighting the need for better quantification of snow-shrub interactions to accurately predict the Arctic’s SEB under future environmental change.

Arctic↗
DOE OSTI2022

The global spectrum of plant form and function: enhanced species-level trait dataset

Here we provide the ‘Global Spectrum of Plant Form and Function Dataset’, containing species mean values for six vascular plant traits. Together, these traits –plant height, stem specific density, leaf area, leaf mass per area, leaf nitrogen content per dry mass, and diaspore (seed or spore) mass – define the primary axes of variation in plant form and function. The dataset is based on ca. 1 million trait records received via the TRY database (representing ca. 2,500 original publications) and additional unpublished data. It provides 92,159 species mean values for the six traits, covering 46,047 species. The data are complemented by higher-level taxonomic classification and six categorical traits (woodiness, growth form, succulence, adaptation to terrestrial or aquatic habitats, nutrition type and leaf type). Data quality management is based on a probabilistic approach combined with comprehensive validation against expert knowledge and external information. Intense data acquisition and thorough quality control produced the largest and, to our knowledge, most accurate compilation of empirically observed vascular plant species mean traits to date.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Exploiting Fixed Charge to Control Schottky Barrier Height in Si|Al 2 O 3 |MoO x – based Tunnel Diodes

The insertion of a tunneling atomic layer deposited (ALD) Al 2 O 3 film between MoO x and p-type Si has been studied to investigate Schottky barrier height tunability with varied negative fixed charge density. This work seeks to increase the hole-selectivity of MoO x -based contacts through manipulation of interface fixed charge. Fixed charge density and interface trap state densities are determined as a function of alumina processing conditions in metal-oxide-semiconductor capacitors (MOSCAPs). Schottky barrier heights were determined from Mott-Schottky analysis of tunnel diodes. An alumina deposition temperature of 80°C and post-deposition annealing at 425°C yielded the highest magnitude of negative fixed charge density (-3.5 × 10 12 q . cm –2 ). High deposition temperature and/or post-deposition annealing produced the lowest interface trap state density (1 × 10 12 eV -1 . cm –2 ). On p-type silicon, Schottky barrier height minimization was not clearly correlated with increasing fixed charge density. However, on n-type silicon, a significant increase in Schottky barrier height was evident (~0.8 eV to > 1 eV) and is attributed to the large negative fixed charge. Here, the findings from this work indicate that Schottky barrier height in carrier selective contacts can be tuned by electrostatic engineering of the SiO x |Al 2 O 3 interface.

aluminum oxide↗