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At least 145 records · Page 8

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DOE OSTI2020

Reexamining supercritical gas adsorption theories in nano-porous shales under geological conditions

Adsorption is an important phenomenon in surface chemistry, especially for nano-porous shales. In the shale gas-in-place, adsorbed gas could contribute up to 85%. However, adsorption is hard to quantitatively characterize due to different adsorption mechanisms, patterns, surfaces, and pore sizes. Moreover, key thermodynamic parameters, such as the enthalpy of adsorption, are challenging to determine due to uncertainties in adsorbed gas densities used in constructing absolute isotherms. In this paper, we revisit the Brunauer, Emmett, and Teller (BET) model, analytically simplify Ono-Kondo (OK) models for subsurface shales, and compare commonly used mono- and multilayer adsorption models (e.g., Langmuir, supercritical Dubinin-Radushkevich (SDR), supercritical BET (SBET), and simplified OK (OKs) models) with recently proposed pressure-dependent adsorption densities to develop a practical and reliable methodology that can be used in the supercritical state, typical for subsurface black shale conditions.Three independent data sets were used for nitrogen and methane adsorption isotherms at different temperatures. Furthermore, we demonstrate that adsorption predicted by the SDR model is comparable or lower than that predicted by the SBET model, but higher than the amounts predicted by Langmuir and OK models. The nitrogen BET method tends to underestimate the accessible SSA for methane. Measurement of isosteric heat of adsorption is suggested instead of the experimental fitting method, due to the significant difference between the calculated results by two commonly used methods. Experimental fitting and simulation methods are also briefly reviewed to guide future research on shale gas adsorption.

58 GEOSCIENCES↗

NASA NTRS1973

Geology of Utah and Nevada by ERTS imagery

The author has identified the following significant results. Two ancient watercourses have been observed on ERTS-1 imagery. These lie in the Waterpocket Fold area, north of the Marble Canyon section of the Colorado River, in Arizona and Utah. A third old watercourse of interest is an ancient canyon of the Colorado and is located on image no. 1156-17260. Image no. 1051-17414 contains some very useful information concerning the hydrology, sedimentology, and biology of Great Salt Lake and Bear Lake in Utah. In Great Salt Lake, there is a sharp line between the portion of the lake north of the railroad causeway and that south of the causeway. There is a marked difference in salinity across the causeway, and this is reflected in different algal species. On the same image, sediment plumes in Bear Lake clearly delineate the circulation pattern, and provide excellent indications of bottom contours over much of the area. Image no. 1051-17420 contains part of Great Salt Lake and all of Utah Lake. The latter displays a very interesting surface pattern which is probably due to an algal bloom which has been swirled into a spiral by the circulation of the lake.

Jensen, M. L.↗

NASA NTRS1982

Frictional heating due to asperity interaction of elastohydrodynamic line-contact surfaces

A numerical solution of an elastohydrodynamically lubricated (EHL) line contact between two long, rough-surface cylinders that considers the frictional heating of asperities was obtained. Pressure distribution, temperature distribution, film thickness and EHL load for given speeds, lubricant properties, material properties of surfaces, and surface roughness parameters were theoretically solved by simultaneous solution of the elasticity equation and the Reynolds equation for two partially lubricated rough surfaces. The pressure due to asperity contact was calculated by assuming a Gaussian distribution of surface irregularities. The elastic deformation used for film thickness computation was found from the two kinds of pressure by plane strain analysis. The temperature rise in the contact zone was calculated by using the Blok-Jaeger flash temperature model. The effects of surface roughness on EHL load for various slide-role ratios, surface roughness parameters, surface patterns, and temperature parameters was studied. It was found that the maximum temperature rise in most cases occurred in the inlet zone, and that the minimum film thickness decreased and the maximum temperature increased as the surface roughness was increased.

Majumdar, B. C.↗

NASA NTRS1988

Long-term variability of solar magnetic-fields

Studies of the variations of the solar magnetic field are reviewed. Consideration is given to the study of 600 Myr-old Australiain varve data showing the 22-yr magnetic cycle and variations with 300-400 yr periods (Williams, 1981 and Bracewell, 1985). Methods of interpreting the organization of large-scale solar field patterns are discussed. Other studies examined include the interpretation of modal structure in the photospheric field by Stenflo et al. (1988), and the study of Sheeley et al. (1987) showing that much of the large-scale surface pattern can be deduced from the measured emerging flux.

Hoeksema, J. Todd↗

DOE OSTI2014

Mechanism of multiple grating formation in high-energy recording of holographic sensors

We report numerical analyses of Bragg diffraction by Denisyuk reflection holograms recorded by a high-energy pulsed laser. An intensity threshold must be passed to pattern a multilayer reflection and transmission hologram, which exhibits a nonlinear fringe structure. Numerical evaluations are provided for the laser light intensity, readout diffraction offset angle, transmission of the layer, and thickness of the polymer matrix during hologram recording. A non-sinusoidal surface pattern is formed at the top of the multilayer structure, and its effect on the diffraction properties of the structure becomes significant when the recording tilt angle is increased. Experimental results show that the angle of the diffracted light increases nonlinearly according to the tilt geometry in grating formation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1992

On the use of the hole-drilling technique for residual stress measurements in thin plates

The strain gage blind hole-drilling technique may be used to determine residual stresses at and below the surface of components. In this paper, the hole-drilling analysis methodology for thick plates is reviewed, and experimental data are used to evaluate the methodology and to assess its applicability to thin plates. Data on the effects of gage pattern, surface preparation, hole spacing, hole eccentricity, and stress level are also presented.

Hampton, R. W.↗

DOE OSTI2020

Influence of Terminal Carboxyl Groups on the Structure and Reactivity of Functionalized m-Carboranethiolate Self-Assembled Monolayers

The structure and function of self-assembled monolayers (SAMs) at the nanoscale are determined by the steric and electronic effects of their building blocks. Carboranethiol molecules form pristine monolayers that provide tunable two-dimensional systems to probe lateral and interfacial interactions. Additional ω-functionality, such as carboxyl groups, can be introduced to change the properties of the exposed surfaces. Here, two geometrically similar isomeric m-carborane analogues of m-mercaptobenzoic acid, 1-COOH-7-SH-1,7-C 2 B 10 H 10 and racem-1-COOH-9-SH-1,7-C 2 B 10 H 10 , are characterized and their SAMs on Au{111} are examined. The latter isomer belongs to the rare group of chiral cage molecules and becomes, to our knowledge, the first example assembled on Au{111}. Although different in symmetry, molecules of both isomers assemble into similar hexagonal surface patterns. The nearest-neighbor spacing of 8.4 ± 0.4 Å is larger than that of non-carboxylated isomers, consistent with the increased steric demands of the carboxyl groups. Computational modeling reproduced this spacing and suggests a tilt relative to the surface normal. However, tilt domains are not observed experimentally, suggesting the presence of strong lateral interactions. Analyses of the influence of the functional groups through the pseudo-aromatic m-carborane skeleton showed that the thiol group attached to either carbon or boron atoms increases the carboxyl group acidity in solution. In contrast, the acidity of the exposed carboxyl group in the SAMs decreases upon surface attachment; computational analyses suggest that the driving force of this shift is the dielectric of the environment in the monolayer as a result of confined intermolecular interactions, proximity to the Au surface, and partial desolvation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1974

Satellite detection of air pollutants

NASA's ERTS-1 satellite, with its high resolution and multispectral capabilities, has been found useful in the detection and analysis of smoke from large point sources (power plants, steel mills, etc.), and widespread atmospheric turbidity associated with atmospheric stagnations. Smoke plumes from the Chicago-Northern Indiana industrial complex have been tracked over Lake Michigan for over 100 km. Experience has shown that smoke plumes are relatively easy to detect over water (in the 0.6-0.7 micrometer band) but much more difficult over land surfaces. Pattern recognition techniques (cluster analysis) were applied to the digital ERTS data, and it was found that the smoke plumes indeed had a unique spectral signature. Studies are currently underway to use measured plume geometries to obtain quantitative estimates of diffusion over water surfaces.

Lyons, W. A.↗

NASA NTRS2019

Experimental Investigation of Hexcomb-Pattern Roughness Effects on Transition Onset and Turbulent Heating Augmentation at Mach 6

An experimental investigation of hexcomb-patterned surface roughness effects on boundary-layer transition and turbulent heating has been performed. Two representative entry vehicle geometries, a spherical- cap aeroshell and a sphere-cone aeroshell, were considered. Multiple cast ceramic models of each geometry were fabricated with varying roughness pattern densities and depths that simulated an ablated hexcomb-structure thermal protection system. Wind tunnel testing was performed at Mach 6 over a range of Reynolds numbers sufficient to produce laminar, transitional, and turbulent flow. Aeroheating and boundary-layer transition onset data were obtained using global phosphor thermography. The experimental heating data are presented herein, as are comparisons to laminar and turbulent smooth-w ll heat transfer distributions from computational flow field simulations.

Hollis, Brian R.↗

NASA NTRS1975

Water color and circulation southern Chesapeake Bay, part 1

Satellite imagery from two EREP passes over the Rappahannock Estuary of the Chesapeake region is analyzed to chart colored water types, to delineate color boundaries and define circulatory patterns. Surface observations from boats and helicopters concurrent with Skylab overpass define the distributions of suspended sediment, transparency, temperature, salinity, phytoplankton, color of suspended material and optical ratio. Important features recorded by the imagery are a large-scale turbidity maximum and massive red tide blooms. Water movement is revealed by small-scale mixing patterns and tidal plumes of apparent sediment-laden water. The color patterns broadly reflect the bottom topography and the seaward gradient of suspended material between the river and the bay. Analyses of red, green and natural color photos by microdensitometry demonstrate the utility of charting water color types of potential use for managing estuarine water quality. The Skylab imagery is superior to aerial photography and surface observations for charting water color.

Nichols, M. M.↗

NASA NTRS2020

Hexcomb Pattern Roughness Effects on Blunt Body Transition and Heating

An experimental investigation of hexcomb pattern surface roughness effects on boundary-layer transition and convective heating has been performed. Two representative entry vehicle geometries, a spherical-cap aeroshell and a sphere-cone aeroshell, were considered. Multiple cast ceramic models of each geometry were fabricated with various roughness pattern densities and depths that simulated an ablated hexcomb-structure thermal protection system. Wind tunnel testing was performed at Mach 6 over a range of Reynolds numbers sufficient to produce laminar, transitional, and turbulent flow. Aeroheating and boundary-layer transition onset data were obtained using global phosphor thermography. The experimental heating data are presented herein, as are comparisons to laminar and turbulent smooth-wall heat transfer distributions from computational flow field simulations. The experimental data were used to develop a unified boundary-layer transition correlation for both sandgrain distributed roughness and hexcomb pattern roughness.

Brian R Hollis↗

DOE OSTI2026

Towards Spatial Control of Reaction Selectivity on Photocatalysts using Area Selective Atomic Layer Deposition on Model Dual Site Electrocatalyst Platform

Photocatalytic water splitting is a promising route to low-cost H2; however, this approach is currently limited by solar-to-hydrogen (STH) conversion efficiencies in the sub-10% range. Z-scheme water splitting, in which H2 and O2 evolving particles are operated in separate compartments and electronically coupled by a soluble redox mediator, offers improvements in STH efficiency but introduces high rates of undesired side and back reactions. Nanoscopic oxide coatings (e.g., CrOx, and SiOx) have previously been used to selectively block undesired reactants from reaching active sites; however, a coating encapsulating the entire photocatalyst particle limits activity as the particle can no longer facilitate both half reactions. In contrast to photodeposition, which may produce non-uniform overlayers due to the difficulty of controlling local electrochemical reactivity on the surface, area-selective atomic layer deposition (AS-ALD) can be used to deposit conformal ultrathin oxide coatings while preserving access to non-growth areas of a substrate surface. To develop this technique for Z-scheme photocatalysts, we performed AS-ALD of TiO2 on a dual site planar electrocatalyst based on interdigitated arrays of Pt and Au. Self-assembled monolayers of 1-octadecanethiol (ODT) were used to block growth on the Au array, resulting in a patterned surface in which only the Pt sites were encapsulated with TiO2. These electrocatalysts demonstrated localized reaction selectivity for hydrogen evolution reaction (HER) over the TiO2/Pt sites, while the uncoated Au sites retained activity towards Fe(II)/Fe(III) redox (FeRR). Under independent potential control, these microelectrodes showed that selectively deposited TiO2 coatings can suppress the rate of back reactions on neighboring active sites by an order of magnitude compared to uncoated control samples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2015

Rigid Biopolymer Nanocrystal Systems for Controlling Multicomponent Nanoparticle Assembly and Orientation in Thin Film Solar Cells. Final Report

The focus of the proposed research is to direct the assembly of single or binary nanoparticles into meso- or macroscale three-dimensional crystals of any desired configuration and crystallographic orientation without using prohibitively expensive lithographic processes. The epitaxial nucleation of defect-free, surface-bound bulk single crystals will revolutionize technologies for energy to generate new types of solar cells that yield maximum conversion efficiencies. It has been proposed that having a nanostructured bulk hetero-interface will enable efficient charge-carrier separations, similar to organic based heterojunction cells but with potential improvements, including thermal and long-term stability, tunability of energy levels, large adsorption coefficients and carrier multiplication. However, engineering such devices requires nanoscale control and ordering in both 2- and 3-dimensions over macroscopic areas and this has yet to be achieved. In Nature, bulk organic and inorganic materials are arranged into precise and ordered programmed assemblies through the sequestration of raw materials into confined spaces and association through highly specific non-covalent interactions between biomolecules. Using similar strategies, the proposed research will focus on confining metal and semiconductor nanocrystals to pre-determined surface patterns and controlling their arrangement through tunable, orthogonal biomolecular binding. Once a perfect two-dimensional seed layer has been constructed, successive layers of single nanocrystals will be nucleated epitaxially with long-range order and tunable crystallographic orientations. The proposed research exploits the ability of biomolecules to bind specific targets in a tunable, orthogonal, multivalent, and reversible manner to the arrangements of DNA-nanoparticle conjugates on chemically defined surfaces. Through careful balance of the attractive and repulsive forces between the particles, the array, and the outside surface, it is envisioned that single or mixed nanoparticles can be packed to adopt uniform crystal orientation in two and three dimensions from simple mixing and annealing of biomolecule-nanoparticle conjugates with biomolecule-stamped surfaces. To control the crystallographic alignment of each particle with its neighbors, the nanoparticles will be assembled using a mixture of non-covalent biomolecular interactions. To create solar cells in which layers of donor and acceptor nanocrystals that are not only oriented normal to the top and bottom electrodes but are also arranged in a checkerboard pattern, multicomponent nanocrystals (e.g. CdSe, CdTe) will be conjugated with biochemical linkers such that only interactions between the CdTe and CdSe promote particle packing within the array. The proposed research will: (1) elucidate the role of single and binary cooperative particle-DNA interactions in influencing nanoparticle crystallographic orientation in two and three dimensions; (2) understand how confinement of nanoparticles on patterned arrays of biomolecules and modification of the surrounding substrate can nucleate long-range order over macroscopic areas via predefined grain boundaries; and (3) synthesize and characterize DNA conjugated semiconductor nanocrystals and assemble them into 2- and 3-D binary superlattice arrays for photovoltaics.

14 SOLAR ENERGY↗

DOE OSTI2019

Surface Mechanical Properties of Bio-Inspired Architectures

The majority of the work in this field, including most of our own early work, has been focused on one-sided materials. More recently, we have focused on two-sided systems, mimicking attachment systems in organisms that use shape complementarity to endow interfaces with highly enhanced and selective adhesion and friction. We discovered the spontaneous appearance of meso-scale dislocations at interfaces between shape-complementary patterned surfaces and studied how their geometry and materials properties govern macroscopic adhesion and friction. Our second major thrust was to study the influence of surface properties, specifically the surface stress, in mechanical phenomenon involving soft materials. We showed that solid surface stress often plays a very significant and pervasive role and this requires a re-thinking of several canonical surface mechanical phenomena such as adhesive contact, wetting, fracture and surface-stress-driven shape change.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Parameter-free determination of the exchange constant in thin films using magnonic patterning

An all-electrical method is presented to determine the exchange constant of magnetic thin films using ferromagnetic resonance. For films of 20 nm thickness and below, the determination of the exchange constant A, a fundamental magnetic quantity, is anything but straightforward. Among others, the most common methods are based on the characterization of perpendicular standing spin-waves. These approaches are however challenging, due to (i) very high energies and (ii) rather small intensities in this thickness regime. In the presented approach, surface patterning is applied to a permalloy (Ni{sub 80}Fe{sub 20}) film and a Co{sub 2}Fe{sub 0.4}Mn{sub 0.6}Si Heusler compound. Acting as a magnonic crystal, such structures enable the coupling of backward volume spin-waves to the uniform mode. Subsequent ferromagnetic resonance measurements give access to the spin-wave spectra free of unquantifiable parameters and, thus, to the exchange constant A with high accuracy.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Surface Mechanical Properties of Bio-Inspired Architectures (Final Report)

36 MATERIALS SCIENCE↗

DOE OSTI2016

Fabrication of frequency selective surface for band stop IR-filter

Fabrication and characterization of frequency selective surfaces (FSS) on silicon dioxide/ silicon is reported. Electron beam lithography based techniques are used for the fabrication of periodic slot structure in tungsten layer on silicon dioxide/silicon. The fabrication process consists of growth of SiO{sub 2} on silicon, tungsten deposition, electron beam lithography, and wet etching of tungsten. The optical characterization of the structural pattern was carried out using fourier transform infrared spectroscopy (FTIR). The reflectance spectra clearly show a resonance peak at 9.09 µm in the mid infrared region. This indicates that the patterned surface acts as band stop filter in the mid-infrared region.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2016

Quantitative metrics for assessment of chemical image quality and spatial resolution

Rationale: Currently objective/quantitative descriptions of the quality and spatial resolution of mass spectrometry derived chemical images are not standardized. Development of these standardized metrics is required to objectively describe chemical imaging capabilities of existing and/or new mass spectrometry imaging technologies. Such metrics would allow unbiased judgment of intra-laboratory advancement and/or inter-laboratory comparison for these technologies if used together with standardized surfaces. Methods: We developed two image metrics, viz., chemical image contrast (ChemIC) based on signal-to-noise related statistical measures on chemical image pixels and corrected resolving power factor (cRPF) constructed from statistical analysis of mass-to-charge chronograms across features of interest in an image. These metrics, quantifying chemical image quality and spatial resolution, respectively, were used to evaluate chemical images of a model photoresist patterned surface collected using a laser ablation/liquid vortex capture mass spectrometry imaging system under different instrument operational parameters. Results: The calculated ChemIC and cRPF metrics determined in an unbiased fashion the relative ranking of chemical image quality obtained with the laser ablation/liquid vortex capture mass spectrometry imaging system. These rankings were used to show that both chemical image contrast and spatial resolution deteriorated with increasing surface scan speed, increased lane spacing and decreasing size of surface features. Conclusions: ChemIC and cRPF, respectively, were developed and successfully applied for the objective description of chemical image quality and spatial resolution of chemical images collected from model surfaces using a laser ablation/liquid vortex capture mass spectrometry imaging system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗