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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 OSTI2024

Selective Covalent Basal Plane Modification as a Probe of Hydroxide Ion Conduction Pathways in Magnesium Aluminum Layered Double Hydroxides

Understanding ionic conduction in layered double hydroxides (LDHs) is a crucial step towards utilizing them as solid, hydroxide ion‐conducting electrolytes in energy conversion applications. We selectively modified the interlayer and external surfaces of MgAl LDHs with tris(hydroxymethyl)aminomethane (TRIS) ligands. By adjusting the concentration of the TRIS surface modifier, the LDH basal plane surfaces could be functionalized everywhere (internally and externally) or only externally. External modification resulted in loss of OH‐conductivity compared to pristine LDHs, confirming that external platelet surfaces are the primary ion conduction pathway.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Interplay of Quantum Size Effect and Tensile Strain on Surface Morphology of β-Sn(100) Islands

The quantum size effect (QSE) and strain effect are two key factors influencing the surface morphology of thin films, which can increase film surface roughness through QSE-induced thickness oscillation and strain-induced island formation, respectively. Surface roughness usually manifests in the early stages of film growth and diminishes beyond a critical thickness. In this work, we employ molecular beam epitaxy (MBE) to grow β-Sn(100) islands with varying thickness N on bilayer graphene-terminated 6H-SiC(0001) substrates. Scanning tunneling microscopy and spectroscopy measurements reveal an inverse surface roughness effect that highlights the interplay of QSE and misfit strain in shaping the surface morphology of β-Sn(100) islands. For N ≤ 10, the islands exhibit flat surfaces, while for N ≥ 26, the island surfaces become corrugated and patterned. For the intermediate range, i.e., 12 ≤ N ≤ 24, both flat and patterned surfaces coexist, with the percentage coverage of the patterned surface oscillating as a function of N. By performing density functional theory calculations, we demonstrate that the unusual surface pattern evolution in our MBE-grown β-Sn(100) islands is a result of the interplay between QSE-induced surface roughing and tensile strain-induced smoothening effect.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Investigations on caesium-free alternatives for H{sup −} formation at ion source relevant parameters

Negative hydrogen ions are efficiently produced in ion sources by the application of caesium. Due to a thereby induced lowering of the work function of a converter surface a direct conversion of impinging hydrogen atoms and positive ions into negative ions is maintained. However, due to the complex caesium chemistry and dynamics a long-term behaviour is inherent for the application of caesium that affects the stability and reliability of negative ion sources. To overcome these drawbacks caesium-free alternatives for efficient negative ion formation are investigated at the flexible laboratory setup HOMER (HOMogenous Electron cyclotron Resonance plasma). By the usage of a meshed grid the tandem principle is applied allowing for investigations on material induced negative ion formation under plasma parameters relevant for ion source operation. The effect of different sample materials on the ratio of the negative ion density to the electron density n{sub H{sup −}} /n{sub e} is compared to the effect of a stainless steel reference sample and investigated by means of laser photodetachment in a pressure range from 0.3 to 3 Pa. For the stainless steel sample no surface induced effect on the negative ion density is present and the measured negative ion densities are resulting from pure volume formation and destruction processes. In a first step the dependency of n{sub H{sup −}} /n{sub e} on the sample distance has been investigated for a caesiated stainless steel sample. At a distance of 0.5 cm at 0.3 Pa the density ratio is 3 times enhanced compared to the reference sample confirming the surface production of negative ions. In contrast for the caesium-free material samples, tantalum and tungsten, the same dependency on pressure and distance n{sub H{sup −}} /n{sub e} like for the stainless steel reference sample were obtained within the error margins: A density ratio of around 14.5% is measured at 4.5 cm sample distance and 0.3 Pa, linearly decreasing with decreasing distance to 7% at 1.5 cm. Thus, tantalum and tungsten do not significantly affect the negative ion density. First measurements conducted with LaB{sub 6} as well as with two types of diamond like carbon (DLC) n{sub H{sup −}} /n{sub e} of about 15% at 1 Pa were measured, which is comparable to the density ratio obtained for the stainless steel reference sample. At HOMER a surface induced enhancement of n{sub H{sup −}} is only observed when it exceeds the volume formation of H{sup −} which is also realistic for negative hydrogen ion sources.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

The Backscattering Phase Function for a Sphere with a Two-Scale Relief of Rough Surface

The backscattering of light from spherical surfaces characterized by one and two-scale roughness reliefs has been investigated. The analysis is performed using the three-dimensional Monte-Carlo program POKS-RG (geometrical-optics approximation), which makes it possible to take into account the roughness of objects under study by introducing local geometries of different levels. The geometric module of the program is aimed at describing objects by equations of second-order surfaces. One-scale roughness is set as an ensemble of geometric figures (convex or concave halves of ellipsoids or cones). The two-scale roughness is modeled by convex halves of ellipsoids, with surface containing ellipsoidal pores. It is shown that a spherical surface with one-scale convex inhomogeneities has a flatter backscattering phase function than a surface with concave inhomogeneities (pores). For a sphere with two-scale roughness, the dependence of the backscattering intensity is found to be determined mostly by the lower-level inhomogeneities. The influence of roughness on the dependence of the backscattering from different spatial regions of spherical surface is analyzed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1987

Calculation of the surface tension of liquid metals using a one-component-plasma reference system

The one-component-plasma (OCP) model is used as a reference system instead of the traditional hard-sphere fluid to calculate the liquid-vapor interfacial surface tension of liquid metals within the density functional formalism. The calculated surface tensions of the alkali metals are in excellent agreement with experiment. For the polyvalent metal Al, the result obtained is larger than experimental measurements. It is concluded that the OCP system is not suitable to describe the liquid-vapor phase transition in simple metals which have a nominal plasma parameter larger than the usual freezing value of about 178. The calculated interfacial widths in all cases are narrower than the expected experimental values.

Zeng, X. C.↗
DOE OSTI2012

Aligned Carbon Nanotube Array Functionalization for Enhanced Atomic Layer Deposition of Platinum Electrocatalysts

Uniform metal deposition onto high surface area supports is a key challenge of developing successful efficient catalyst materials. Atomic layer deposition (ALD) circumvents permeation difficulties, but relies on gas-surface reactions to initiate growth. Our work demonstrates that modified surfaces within vertically aligned carbon nanotube (CNT) arrays, from plasma and molecular precursor treatments, can lead to improved catalyst deposition. Gas phase functionalization influences the number of ALD nucleation sites and the onset of ALD growth and, in turn, affects the uniformity of the coating along the length of the CNTs within the aligned arrays. The induced chemical changes for each functionalization route are identified by X-ray photoelectron and Raman spectroscopies. The most effective functionalization routes increase the prevalence of oxygen moieties at defect sites on the carbon surfaces. The striking effects of the functionalization are demonstrated with ALD Pt growth as a function of surface treatment and ALD cycles examined by electron microscopy of the arrays and the individual CNTs. Finally, we demonstrate applicability of these materials as fuel cell electrocatalysts and show that surface functionalization affects their performance towards oxygen reduction reaction.

08 HYDROGEN↗
DOE OSTI2016

Description of the Adsorption and Exciton Delocalizing Properties of p -Substituted Thiophenols on CdSe Quantum Dots

Here, we describe the quantitative characterization of the interfacial chemical and electronic structure of CdSe quantum dots (QDs) coated in one of five p-substituted thiophenolates (X-TP, X = NH 2 , CH 3 O, CH 3 , Cl, or NO 2 ), and the dependence of this structure on the p-substituent X. 1 H NMR spectra of mixtures of CdSe QDs and X-TPs yield the number of X-TPs bound to the surface of each QD. The binding data, in combination with the shift in the energy of the first excitonic peak of the QDs as a function of the surface coverage of X-TP and Raman and NMR analysis of the mixtures, indicate that X-TP binds to CdSe QDs in at least three modes, two modes that are responsible for exciton delocalization and a third mode that does not affect the excitonic energy. The first two modes involve displacement of OPA from the QD core, whereas the third mode forms cadmium–thiophenolate complexes that are not electronically coupled to the QD core. Fits to the data using the dual-mode binding model also yield the values of Δr 1 , the average radius of exciton delocalization due to binding of the X-TP in modes 1 and 2. A 3D parametrized particle-in-a-sphere model enables the conversion of the measured value of Δr 1 for each X-TP to the height of the potential barrier that the ligand exhibits for tunneling of excitonic hole into the interfacial region. The height of this barrier increases from 0.3 to 0.9 eV as the substituent, X, becomes more electron-withdrawing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Surface chemistry of InP ridge structures etched in Cl{sub 2}-based plasma analyzed with angular XPS

Two x-ray photoelectron spectroscopy configurations are proposed to analyze the surface chemistry of micron-scale InP ridge structures etched in chlorine-based inductively coupled plasma (ICP). Either a classical or a grazing configuration allows to retrieve information about the surface chemistry of the bottom surface and sidewalls of the etched features. The procedure is used to study the stoichiometry of the etched surface as a function of ridge aspect ratio for Cl{sub 2}/Ar and Cl{sub 2}/H{sub 2} plasma chemistries. The results show that the bottom surface and the etched sidewalls are P-rich, and indicate that the P-enrichment mechanism is rather chemically driven. Results also evidence that adding H{sub 2} to Cl{sub 2} does not necessarily leads to a more balanced surface stoichiometry. This is in contrast with recent experimental results obtained with the HBr ICP chemistry for which fairly stoichiometric surfaces have been obtained.

36 MATERIALS SCIENCE↗
NASA NTRS1976

Earth-atmosphere system and surface reflectivities in arid regions from LANDSAT multispectral scanner measurements

Programs for computing atmospheric transmission and scattering solar radiation were used to compute the ratios of the Earth-atmosphere system (space) directional reflectivities in the vertical direction to the surface reflectivity, for the four bands of the LANDSAT multispectral scanner (MSS). These ratios are presented as graphs for two water vapor levels, as a function of the surface reflectivity, for various sun elevation angles. Space directional reflectivities in the vertical direction are reported for selected arid regions in Asia, Africa and Central America from the spectral radiance levels measured by the LANDSAT MSS. From these space reflectivities, surface vertical reflectivities were computed applying the pertinent graphs. These surface reflectivities were used to estimate the surface albedo for the entire solar spectrum. The estimated albedos are in the range 0.34-0.52, higher than the values reported by most previous researchers from space measurements, but are consistent with laboratory measurements.

Otterman, J.↗
DOE OSTI2015

Methane Hydrate Formation on Clay Mineral Surfaces: Thermodynamic Stability and Heterogeneous Nucleation Mechanisms

Heterogeneous nucleation of methane hydrates has been examined using molecular simulation, experimental bulk synthesis, and scanning probe microscopy. Theoretical nucleation rates were determined using molecular dynamics simulations as a function of clay surface represented by hydrophobic and hydrophilic systems. Methane hydrates were synthesized with and without Na-montmorillonite in a bulk reactor pressure assembly. X-ray diffraction and Raman spectroscopy confirm the nucleation and growth of the synthesized hydrates. Various kinetic pathways were explored to produce methane or isobutene clathrates in an ultra-high vacuum apparatus at very low temperatures but scanning probe microscopy only indicates the formation of ice.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Simulation of nucleation and growth of atomic layer deposition phosphorus for doping of advanced FinFETs

Simulations for the nucleation and growth of phosphorus films were carried out using density functional theory. The surface was represented by a Si{sub 9}H{sub 12} truncated cluster surface model with 2 × 1-reconstructured (100) Si-OH terminations for the initial reaction sites. Chemistries included phosphorous halides (PF{sub 3}, PCl{sub 3}, and PBr{sub 3}) and disilane (Si{sub 2}H{sub 6}). Atomic layer deposition (ALD) reaction sequences were illustrated with three-dimensional molecular models using sequential PF{sub 3} and Si{sub 2}H{sub 6} reactions and featuring SiFH{sub 3} as a byproduct. Exothermic reaction pathways were developed for both nucleation and growth for a Si-OH surface. Energetically favorable reactions for the deposition of four phosphorus atoms including lateral P–P bonding were simulated. This paper suggests energetically favorable thermodynamic reactions for the growth of elemental phosphorus on (100) silicon. Phosphorus layers made by ALD are an option for doping advanced fin field-effect transistors (FinFETs). Phosphorus may be thermally diffused into the silicon or recoil knocked in; simulations of the recoil profile of phosphorus into a FinFET surface are illustrated.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Influence of the chemical surface structure on the nanoscale friction in plasma nitrided and post-oxidized ferrous alloy

Friction is a ubiquitous phenomenon in everyday activities spanning from vehicles where efficient brakes are mandatory up to mechanical devices where its minimum effects are pursued for energy efficiency issues. Recently, theoretical models succeed correlating the friction behavior with energy transference via phonons between sliding surfaces. Therefore, considering that the energy losses by friction are prompted through phonons, the chemical surface structure between sliding surfaces is very important to determine the friction phenomenon. In this work, we address the issue of friction between a conical diamond tip sliding on different functionalized flat steel surfaces by focusing the influence of the chemical bonds in the outermost layers on the sliding resistance. This geometry allows probing the coupling of the sharp tip with terminator species on the top and underneath material surface at in-depth friction measurements from 20 to 200 nm. Experimentally, the friction coefficient decreases when nitrogen atoms are substituted for oxygen in the iron network. This effect is interpreted as due to energy losses through phonons whilst lower vibrational frequency excitation modes imply lower friction coefficients and a more accurate adjustment is obtained when a theoretical model with longitudinal adsorbate vibration is used.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1976

Earth-atmosphere system and surface reflectivities in arid regions from Landsat MSS data

Previously developed programs for computing atmospheric transmission and scattering of the solar radiation are used to compute the ratios of the earth-atmosphere system (space) directional reflectivities in the nadir direction to the surface Lambertian reflectivity, for the four bands of the Landsat multispectral scanner (MSS). These ratios are presented as graphs for two water vapor levels, as a function of the surface reflectivity, for various sun elevation angles. Space directional reflectivities in the vertical direction are reported for selected arid regions in Asia, Africa, and Central America from the spectral radiance levels measured by the Landsat MSS. From these space reflectivities, surface reflectivities are computed applying the pertinent graphs. These surface reflectivities are used to estimate the surface albedo for the entire solar spectrum. The estimated albedos are in the range 0.34-0.52, higher than the values reported by most previous researchers from space measurements, but are consistent with laboratory and in situ measurements.

Otterman, J.↗
NASA NTRS1992

Radiation budget studies using collocated observations from advanced Very High Resolution Radiometer, High-Resolution Infrared Sounder/2, and Earth Radiation Budget Experiment instruments

Collocated observations from the Advanced Very High Resolution Radiometer (AVHRR), High-Resolution Infrared Sounder/2 (HIRS/2), and Earth Radiation Budget Experiment (ERBE) instruments onboard the NOAA 9 satellite are combined to describe the broadband and spectral radiative properties of the earth-atmosphere system. Broadband radiative properties are determined from the ERBE observations, while spectral properties are determined from the HIRS/2 and AVHRR observations. The presence of clouds, their areal coverage, and cloud top pressure are determined from a combination of the HIRS/2 and the AVHRR observations. The CO2 slicing method is applied to the HIRS/2 to determine the presence of upper level clouds and their effective emissivity. The AVHRR data collocated within the HIRS/2 field of view are utilized to determine the uniformity of the scene and retrieve sea surface temperature. Changes in the top of the atmosphere longwave and shortwave radiative energy budgets, and the spectral distribution of longwave radiation are presented as a function of cloud amount and cloud top pressure. The radiative characteristics of clear sky conditions over oceans are presented as a function of sea surface temperature and atmospheric water vapor structure.

Ackerman, Steven A.↗
NASA NTRS2010

Air-Sea Spray Airborne Radar Profiler Characterizes Energy Fluxes in Hurricanes

A report discusses ASAP (Air-sea Spray Airborne Profiler), a dual-wavelength radar profiler that provides measurement information about the droplet size distribution (DSD) of sea-spray, which can be used to estimate heat and moisture fluxes for hurricane research. Researchers have recently determined that sea spray can have a large effect on the magnitude and distribution of the air-sea energy flux at hurricane -force wind speeds. To obtain information about the DSD, two parameters of the DSD are required; for example, overall DSD amplitude and DSD mean diameter. This requires two measurements. Two frequencies are used, with a large enough separation that the differential frequency provides size information. One frequency is 94 GHz; the other is 220 GHz. These correspond to the Rayleigh and Mie regions. Above a surface wind speed of 10 m/ s, production of sea spray grows exponentially. Both the number of large droplets and the altitude they reach are a function of the surface wind speed.

Durden, Stephen L.↗
DOE OSTI2015

Atomic and molecular oxygen adsorbed on (111) transition metal surfaces: Cu and Ni

Density functional theory is used to investigate the reaction of oxygen with clean copper and nickel [111]-surfaces. We study several alternative adsorption sites for atomic and molecular oxygen on both surfaces. The minimal energy geometries and adsorption energies are in good agreement with previous theoretical studies and experimental data. From all considered adsorption sites, we found a new O{sub 2} molecular precursor with two possible dissociation paths on the Cu(111) surface. Cross barrier energies for the molecular oxygen dissociation have been calculated by using the climbing image nudge elastic band method, and direct comparison with experimental results is performed. Finally, the structural changes and adsorption energies of oxygen adsorbed on surface when there is a vacancy nearby the adsorption site are also considered.

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

Measurement of rabbit eardrum vibration through stroboscopic digital holography

In this work, we present a setup for high-power single shot stroboscopic digital holography and demonstrate it in an application on rabbit eardrum vibration measurement. The setup is able to make full-field time-resolved measurements of vibrating surfaces with a precision in the nanometer range in a broad frequency range. The height displacement of the measured object is visualized over the entire surface as a function of time. Vibration magnitude and phase maps can be extracted from these data, the latter proving to be very useful to reveal phase delays across the surface. Such deviations from modal motion indicate energy losses due to internal damping, in contrast to purely elastic mechanics. This is of great interest in middle ear mechanics and finite element modelling. In our setup, short laser pulses are fired at selected instants within the surface vibration period and are recorded by a CCD camera. The timing of the pulses and the exposure of the camera are synchronized to the vibration phase by a microprocessor. The high-power frequency-doubled Nd:YAG laser produces pulses containing up to 5 mJ of energy, which is amply sufficient to record single-shot holograms. As the laser pulse length is 8 ns and the smallest time step of the trigger electronics is 1 μs, vibration measurements of frequencies up to 250 kHz are achievable through this method, provided that the maximum vibration amplitude exceeds a few nanometers. In our application, middle ear mechanics, measuring frequencies extend from 5 Hz to 20 kHz. The experimental setup will be presented, as well as results of measurements on a stretched circular rubber membrane and a rabbit's eardrum. Two of the challenges when measuring biological tissues, such as the eardrum, are low reflectivity and fast dehydration. To increase reflectivity, a coating is applied and to counteract the undesirable effects of tissue dehydration, the measurement setup and software have been optimized for speed without compromising on the quality. Results of a repeatability test will be presented as well. Since the method measures the membrane motion as a function of time in small time steps, we do not only measure vibration amplitude like in time-average holography, but we can also measure non-linear elastic and transient behaviour. In conclusion, the combination of good spatial, depth and time resolution with the fast data acquisition and very wide frequency range make our technique applicable in a number of fields, including biological tissue vibrations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2019

An Approach to Retrieve BRDF from Satellite and Airborne Measurements of Surface-Reflected Radiance Based on Decoupling of Atmospheric Radiative Transfer and Surface Reflection

Bi-directional Reflection Distribution Function (BRDF) defines anisotropy of the surface reflection. It is required to specify the boundary condition for radiative transfer (RT) modeling. Measurements of reflected radiance by satellite- and air-borne sensors provide information about anisotropy of surface reflection. Atmospheric correction needs to be performed to derive BRDF from the reflected radiance. Common approach for BRDF retrievals consists of the use of kernel-based BRDF and RT modeling that needs to be done anew at every step of the iterative process. The kernels’ weights are obtained by minimization of the difference between measured and modeled radiance. This study develops a new method of retrieving kernel-based BRDF that requires RT calculations to be done only once. The method employs the exact analytical expression of radiance at any atmospheric level through the solutions of two auxiliary atmosphere-only RT problems and the surface-reflected radiance at the surface level. The latter is related to BRDF and solutions of the auxiliary RT problems by a Fredholm integral equation of the second kind. The approach requires to perform RT calculations one time before the iterations. It can use observations taken at different atmospheric conditions assuming that surface conditions remain unchanged during the time span of observations. The algorithm accurately catches zero weights of the kernels that may be a concern if the number of kernels is greater than 3 in current mainstream approaches. The study presents numerical tests of the BRDF retrieval algorithm for various surface and atmospheric conditions.

Radkevich, Alexander↗