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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 1,207 records · Page 67
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Satellite aerosols retrieval over land surfaces using the structure functions

Remote sensing of aerosol optical thickness from space is difficult over continental surfaces. There are two retrieval algorithms, one based on the use of dark targets and a second based on contrast reduction between selected pixels. Improvements in the contrast reduction method are reported. A procedure is developed for using the satellite image to evaluate whether conditions for applying the structure method are met. The theoretical background is discussed, and the usefulness of the structure functions is demonstrated. The method is applied to NOAA Advanced Very High Resolution Radiometer (AVHRR) imagery where simultaneous ground measurements are used for validation.

Tanre, D.↗
NASA NTRS2015

Variable-Domain Displacement Transfer Functions for Converting Surface Strains into Deflections for Structural Deformed Shape Predictions

Variable-Domain Displacement Transfer Functions were formulated for shape predictions of complex wing structures, for which surface strain-sensing stations must be properly distributed to avoid jointed junctures, and must be increased in the high strain gradient region. Each embedded beam (depth-wise cross section of structure along a surface strain-sensing line) was discretized into small variable domains. Thus, the surface strain distribution can be described with a piecewise linear or a piecewise nonlinear function. Through discretization, the embedded beam curvature equation can be piece-wisely integrated to obtain the Variable-Domain Displacement Transfer Functions (for each embedded beam), which are expressed in terms of geometrical parameters of the embedded beam and the surface strains along the strain-sensing line. By inputting the surface strain data into the Displacement Transfer Functions, slopes and deflections along each embedded beam can be calculated for mapping out overall structural deformed shapes. A long tapered cantilever tubular beam was chosen for shape prediction analysis. The input surface strains were analytically generated from finite-element analysis. The shape prediction accuracies of the Variable- Domain Displacement Transfer Functions were then determined in light of the finite-element generated slopes and deflections, and were fofound to be comparable to the accuracies of the constant-domain Displacement Transfer Functions

displacement transfer functions↗
DOE OSTI2016

Experimental explanation of the formation mechanism of surface mound-structures by femtosecond laser on polycrystalline Ni{sub 60}Nb{sub 40}

Femtosecond laser surface processing (FLSP) is an emerging technique for creating functionalized surfaces with specialized properties, such as broadband optical absorption or superhydrophobicity/superhydrophilicity. It has been demonstrated in the past that FLSP can be used to form two distinct classes of mound-like, self-organized micro/nanostructures on the surfaces of various metals. Here, the formation mechanisms of below surface growth (BSG) and above surface growth (ASG) mounds on polycrystalline Ni{sub 60}Nb{sub 40} are studied. Cross-sectional imaging of these mounds by focused ion beam milling and subsequent scanning electron microscopy revealed evidence of the unique formation processes for each class of microstructure. BSG-mound formation during FLSP did not alter the microstructure of the base material, indicating preferential valley ablation as the primary formation mechanism. For ASG-mounds, the microstructure at the peaks of the mounds was clearly different from the base material. Transmission electron microscopy revealed that hydrodynamic melting of the surface occurred during FLSP under ASG-mound forming conditions. Thus, there is a clear difference in the formation mechanisms of ASG- and BSG-mounds during FLSP.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Methanol Decomposition on Copper Surfaces under Ambient Conditions: Mechanism, Surface Kinetics, and Structure Sensitivity

Here, we study the adsorption of methanol vapor under ambient pressure and temperature conditions on low-index Cu surfaces using surface-sensitive infrared (IR) and X-ray spectroscopy techniques. The first step of methanol decomposition, i.e. , breaking of the O—H bond to form surface-bound methoxy, readily occurs under ambient conditions. Time-lapse IR spectra clearly indicate a gradually decreasing methoxy coverage, which does not obey well established kinetic models. We rationalize the initial temperature-independent, high, nonequilibrium coverage of methoxy by a H-bonded methanol assembly in the precursor state. A temperature-dependent equilibrium coverage is achieved as the excess methoxy is eliminated gradually via further dehydrogenation to CO that desorbs to the gas phase. The kinetics of this process displays a significant structure sensitivity with considerably faster kinetics on the Cu(110) surface compared to Cu(111) and Cu(100) surfaces.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

The Temperature and Structure Dependence of Surface Tension of CaO-SiO{sub 2}-Na{sub 2}O-CaF{sub 2} Mold Fluxes

The surface tension of mold flux is one of the most important properties and varies with the temperature from the top to the bottom of the mold, which influences the adhesion and lubrication between the liquid mold flux and the solidified shell, further influencing the quality of the continuous billet. In the present paper, the effect of temperature on the surface tension of CaO-SiO{sub 2}-Na{sub 2}O-CaF{sub 2} mold-flux melts with different CaO/SiO{sub 2} mass ratios was investigated using the maximum-pull method. Furthermore, the microstructure of mold fluxes was analyzed using FT-IR and Raman spectra to discuss the change mechanism of surface tension. The results indicated that the temperature dependence of surface tension was different with different CaO/SiO{sub 2} mass ratios, and agreed with the modification of melt structure. When the CaO/SiO{sub 2} mass ratio was 0.67 and 0.85, the change of surface tension with temperature was relatively stable, and the influence of temperature on the structure was small. When the CaO/SiO{sub 2} mass ratio was 1.03 and 1.16, with an increase of temperature, the surface tension decreased linearly and the changing amplitude was large; the degree of polymerization of melts and average radii of silicon-oxygen anions also decreased, which intensified the molecular thermal motion and weakened the intermolecular interaction, resulting in a decrease of surface tension of melts.

36 MATERIALS SCIENCE↗
DOE OSTI2019

A projection-based method for topology optimization of structures with graded surfaces

Topology optimization (TO) is a generative design approach that is used to create new structures that are optimal for their purpose. Standard parameterizations of the TOproblem allow exploration of an arbitrarily complex design space, but must be constrained to ensure manufacturability; these constraints tend to be computationally expensive and intrusive to the design process. A relatively new parametrization of the TO problem uses geometry projection of known-manufacturable building blocksinto the design domain, but the existing library of building blocks compatible with projection is small. This project sought to expand this library with new shapes, and to determine whether theaddition of these new shapes could be used to design unit cells for micro-architected materials (MAMs) with improved stiffness-to-weight ratio compared with traditional designs,while retaining compatibility with additive manufacturing processes.Due to a reduction in scope, effort was focused on truss lattices with hollow, tapered, and curved struts. Hollowtruss lattices were found that outperform traditional designs like the octet truss in both stiffness and isotropy, as well as providing a decoupling between the stiffness and relative density. These new designs are expected to improve the performance of functionally graded structures in programmatic applications.

42 ENGINEERING↗
NASA NTRS1994

Microporous structure with layered interstitial surface treatment, and method and apparatus for preparation thereof

A microporous structure with layered interstitial surface treatments, and method and apparatus for preparation thereof is presented. The structure is prepared by sequentially subjecting a uniformly surface-treated structure to atomic oxygen treatment to remove an outer layer of surface treatment to a generally uniform depth, and then surface treating the so exposed layer with another surface treating agent. The atomic oxygen/surface treatment steps may optionally be repeated, each successive time to a lesser depth, to produce a microporous structure having multilayered surface treatments. The apparatus employs at least one side arm from a main atomic oxygen-containing chamber. The side arm has characteristic relaxation times such that a uniform atomic oxygen dose rate is delivered to a specimen positioned transversely in the side arm spaced from the main gas chamber.

Koontz, Steven L.↗
NASA NTRS1992

Microporous structure with layered interstitial surface treatment, and method and apparatus for preparation thereof

A microporous structure with layered interstitial surface treatments, and the method and apparatus for its preparation are disclosed. The structure is prepared by sequentially subjecting a uniformly surface treated structure to atomic oxygen treatment to remove an outer layer of surface treatment to a generally uniform depth, and then surface treating the so exposed layer with another surface treating agent. The atomic oxygen/surface treatment steps may optionally be repeated, each successive time to a lesser depth, to produce a microporous structure having multilayered surface treatments. The apparatus employs at least one side arm from a main oxygen-containing chamber. The side arm has characteristic relaxation times such that a uniform atomic oxygen dose rate is delivered to a specimen positioned transversely in the side arm spaced from the main gas chamber.

Koontz, Steven L.↗
DOE OSTI2014

Fe adsorption on hematite (α-Fe{sub 2}O{sub 3}) (0001) and magnetite (Fe{sub 3}O{sub 4}) (111) surfaces

The structure and electronic properties of different terminations of hematite (0001) and magnetite (111) surfaces upon submonolayer Fe adsorption were studied using the spin-polarized density functional theory (DFT) including the Hubbard correction term U (DFT+U). On both oxides the Fe atoms were adsorbed on the most stable iron and oxygen terminated surfaces. The results show that Fe atoms bind strongly both to hematite and magnetite surfaces, however, the binding is distinctly stronger at the oxygen than at the iron terminated surfaces. For both oxides and surface terminations the binding energy of the Fe decreases with increasing coverage, which indicates substantial repulsive interactions between Fe adatoms. On the hematite surface, the most stable sites for Fe adsorption are bulk continuation sites which result in formation of the Fe-rich terminations. On the magnetite surface, the bulk continuation site is favored only for Fe adsorption on the oxygen terminated surface while on the iron terminated one Fe adsorbs in a position closer to the surface iron layer. Submonolayer coverages of Fe modify substantially the surface electronic structure of the oxides and, depending on the termination, can change its character from half-metallic to insulating one, and vice versa.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Interfacial X-Ray Scattering from Small Surfaces: Adapting Mineral-Fluid Structure Methods for Microcrystalline Materials

Crystal truncation rod (CTR) X-ray diffraction is an invaluable tool for measuring mineral surface and adsorbate structures, and has been applied to several environmentally and geochemically important systems. Traditionally, the method has been restricted to single crystals with lateral dimensions >3 mm. Minerals that meet this size criterion represent a minute fraction of those that are relevant to interfacial geochemistry questions, however. Crystal screening, data collection, and CTR measurement methods have been developed for crystals of <0.3 mm in lateral size using the manganese oxide mineral chalcophanite (ZnMn 3 O 7 •3H 2 O) as a case study. Furthermore, this work demonstrates the feasibility of applying the CTR technique to previously inaccessible surfaces, opening up a large suite of candidate substrates for future study.

58 GEOSCIENCES↗
DOE OSTI2015

Structure-dependent localized surface plasmon resonance characteristics and surface enhanced Raman scattering performances of quasi-periodic nanoarrays: Measurements and analysis

A set of periodic and quasi-periodic Au nanoarrays with different morphologies have been fabricated by using electron beam lithography technique, and their optical properties have been examined experimentally and analyzed theoretically by scanning near-field optical microscope and finite element method, respectively. Results present that the localized surface plasmon resonance of the as-prepared Au nanoarrays exhibit the structure-depended characteristics. Comparing with the periodic nanoarrays, the quasi-periodic ones demonstrate stronger electric field enhancement, especially for Thue-Morse nanoarray. Meanwhile, the surface enhanced Raman scattering (SERS) spectra of 4-mercaptobenzoic acid molecular labeled nanoarrays show that the quasi-periodic nanoarrays exhibit distinct SERS enhancement, for example, a higher enhancement factor of ∼10{sup 7} is obtained for the Thue-Morse nanoarray consisted of square pillars of 100 nm size. Therefore, it is significant to optimally design and fabricate the chip-scale quasi-periodic nanoarrays with high localized electric field enhancement for SERS applications in biosensing field.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1974

Measurement and correlation of aerodynamic heating to surface corrugation stiffened structures in thick turbulent boundary layers

The flow conditions for which heating distributions were measured on corrugated surfaces and wavy walls in turbulent boundary layers are shown, along with the ratio of the displacement thickness to the roughness height versus the local edge Mach number for an equivalent smooth surface. The present data are seen to greatly extend the range of data available on corrugated surfaces in turbulent boundary layers. These data were obtained by testing fullscale corrugation roughened panels in the wall boundary layer of a supersonic and hypersonic wind tunnel. The experimental program used to obtain the data is described. The data are analyzed and correlated in terms of the pertinent flow and geometric parameters. The developed correlations are compared with the available thin boundary layer data, as well as with previously published correlation techniques.

Brandon, H. J.↗
DOE OSTI2019

Catalysis-Hub.org, an open electronic structure database for surface reactions

Abstract We present a new open repository for chemical reactions on catalytic surfaces, available at https://www.catalysis-hub.org . The featured database for surface reactions contains more than 100,000 chemisorption and reaction energies obtained from electronic structure calculations, and is continuously being updated with new datasets. In addition to providing quantum-mechanical results for a broad range of reactions and surfaces from different publications, the database features a systematic, large-scale study of chemical adsorption and hydrogenation on bimetallic alloy surfaces. The database contains reaction specific information, such as the surface composition and reaction energy for each reaction, as well as the surface geometries and calculational parameters, essential for data reproducibility. By providing direct access via the web-interface as well as a Python API, we seek to accelerate the discovery of catalytic materials for sustainable energy applications by enabling researchers to efficiently use the data as a basis for new calculations and model generation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Identifying the Critical Links in Road Transportation Networks: Centrality-based approach utilizing structural properties

Surface transportation road networks share structural properties similar to other complex networks (e.g., social networks, information networks, biological networks, and so on). This research investigates the structural properties of road networks for any possible correlation with the traffic characteristics such as link flows those determined independently. Additionally, we define a criticality index for the links of the road network that identifies the relative importance in the network. We tested our hypotheses with two sample road networks. Results show that, correlation exists between the link flows and centrality measures of a link of the road (dual graph approach is followed) and the criticality index is found to be effective for one test network to identify the vulnerable nodes.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2015

The atomic structure of low-index surfaces of the intermetallic compound InPd

The intermetallic compound InPd (CsCl type of crystal structure with a broad compositional range) is considered as a candidate catalyst for the steam reforming of methanol. Single crystals of this phase have been grown to study the structure of its three low-index surfaces under ultra-high vacuum conditions, using low energy electron diffraction (LEED), X-ray photoemission spectroscopy (XPS), and scanning tunneling microscopy (STM). During surface preparation, preferential sputtering leads to a depletion of In within the top few layers for all three surfaces. The near-surface regions remain slightly Pd-rich until annealing to ∼580 K. A transition occurs between 580 and 660 K where In segregates towards the surface and the near-surface regions become slightly In-rich above ∼660 K. This transition is accompanied by a sharpening of LEED patterns and formation of flat step-terrace morphology, as observed by STM. Several superstructures have been identified for the different surfaces associated with this process. Annealing to higher temperatures (≥750 K) leads to faceting via thermal etching as shown for the (110) surface, with a bulk In composition close to the In-rich limit of the existence domain of the cubic phase. The Pd-rich InPd(111) is found to be consistent with a Pd-terminated bulk truncation model as shown by dynamical LEED analysis while, after annealing at higher temperature, the In-rich InPd(111) is consistent with an In-terminated bulk truncation, in agreement with density functional theory (DFT) calculations of the relative surface energies. More complex surface structures are observed for the (100) surface. Additionally, individual grains of a polycrystalline sample are characterized by micro-spot XPS and LEED as well as low-energy electron microscopy. Results from both individual grains and “global” measurements are interpreted based on comparison to our single crystals findings, DFT calculations and previous literature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2012

Methods of Attaching or Grafting Carbon Nanotubes to Silicon Surfaces and Composite Structures Derived Therefrom

The present invention is directed toward methods of attaching or grafting carbon nanotubes (CNTs) to silicon surfaces. In some embodiments, such attaching or grafting occurs via functional groups on either or both of the CNTs and silicon surface. In some embodiments, the methods of the present invention include: (1) reacting a silicon surface with a functionalizing agent (such as oligo(phenylene ethynylene)) to form a functionalized silicon surface; (2) dispersing a quantity of CNTs in a solvent to form dispersed CNTs; and (3) reacting the functionalized silicon surface with the dispersed CNTs. The present invention is also directed to the novel compositions produced by such methods.

Tour, James M.↗
DOE OSTI2022

Surface and electronic structure at atomic length scales of the nonsymmorphic antiferromagnet Eu 5 In 2 Sb 6

We performed scanning tunneling microscopy and spectroscopy (STM/STS) measurements to investigate the Zintl phase Eu 5 ⁢In 2 ⁢Sb 6 , a nonsymmorphic antiferromagnet. The theoretical prediction of a nontrivial Fermi surface topology stabilized by the nonsymmorphic symmetry motivated our research. On the cleaved (010) plane, we obtained striped patterns that can be correlated to the stacking of the [In 2 ⁢Sb 6 ] 10- double chains along the crystallographic c axis. The attempted cleavage along the a axis revealed a more complex pattern. We combined the STS measurement on nonreconstructed (010) and (081) surfaces with DFT calculations to further elucidate the electronic structure of Eu 5 ⁢In 2 ⁢Sb 6 . From our investigations so far, direct experimental evidence of the predicted topological surface states remains elusive.

36 MATERIALS SCIENCE↗