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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

An atlas of monthly mean distributions of GEOSAT sea surface height, SSMI surface wind speed, AVHRR/2 sea surface temperature, and ECMWF surface wind components during 1988

Monthly mean global distributions for 1988 are presented with a common color scale and geographical map. Distributions are included for sea surface height variation estimated from GEOSAT; surface wind speed estimated from the Special Sensor Microwave Imager on the Defense Meteorological Satellite Program spacecraft; sea surface temperature estimated from the Advanced Very High Resolution Radiometer on NOAA spacecrafts; and the Cartesian components of the 10m height wind vector computed by the European Center for Medium Range Weather Forecasting. Charts of monthly mean value, sampling distribution, and standard deviation value are displayed. Annual mean distributions are displayed.

Halpern, D.↗
DOE OSTI2012

Identification of Simultaneous U(VI) Sorption Complexes and U(IV) Nanoprecipitates on the Magnetite (111) Surface

Sequestration of uranium (U) by magnetite is a potentially important sink for U in natural and contaminated environments. However, molecular-scale controls that favor U(VI) uptake including both adsorption of U(VI) and reduction to U(IV) by magnetite remain poorly understood, in particular, the role of U(VI)-CO{sub 3}-Ca complexes in inhibiting U(VI) reduction. To investigate U uptake pathways on magnetite as a function of U(VI) aqueous speciation, we performed batch sorption experiments on (111) surfaces of natural single crystals under a range of solution conditions (pH 5 and 10; 0.1 mM U(VI); 1 mM NaNO{sub 3}; and with or without 0.5 mM CO{sub 3} and 0.1 mM Ca) and characterized surface-associated U using grazing incidence extended X-ray absorption fine structure spectroscopy (GI-EXAFS), grazing incidence X-ray diffraction (GI-XRD), and scanning electron microscopy (SEM). In the absence of both carbonate ([CO{sub 3}]T, denoted here as CO{sub 3}) and calcium (Ca), or in the presence of CO{sub 3} only, coexisting adsorption of U(VI) surface species and reduction to U(IV) occurs at both pH 5 and 10. In the presence of both Ca and CO{sub 3}, only U(VI) adsorption (VI) occurs. When U reduction occurs, nanoparticulate UO{sub 2} forms only within and adjacent to surface microtopographic features such as crystal boundaries and cracks. This result suggests that U reduction is limited to defect-rich surface regions. Further, at both pH 5 and 10 in the presence of both CO{sub 3} and Ca, U(VI)-CO{sub 3}-Ca ternary surface species develop and U reduction is inhibited. These findings extend the range of conditions under which U(VI)-CO{sub 3}-Ca complexes inhibit U reduction.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2017

Oxidative Corrosion of the UO 2 (001) Surface by Nonclassical Diffusion

Uranium oxide is central to every stage of the nuclear fuel cycle, from mining through fuel fabrication and use, to waste disposal and environmental cleanup. Its chemical and mechanical stability are intricately linked to the concentration of interstitial O atoms within the structure and the oxidation state of U. We have previously shown that during corrosion of the UO2 (111) surface under either 1 atm O2 gas or oxygenated water at room temperature, oxygen interstitials diffuse into the substrate to form a superlattice with three-layer periodicity. In the current study, we present results from surface x-ray scattering that reveal the structure of the oxygen diffusion profile beneath the (001) surface. The first few layers below the surface oscillate strongly in their surface-normal lattice parameters, suggesting preferential interstitial occupation of every other layer below the surface, which is geometrically consistent with the interstitial network that forms below the oxidized (111) surface. Deeper layers are heavily contracted and indicate that the oxidation front penetrates ~52 Å below the (001) surface after 21 days of dry O2 gas exposure at ambient pressure and temperature. X-ray photoelectron spectroscopy indicates U is present as U(IV), U(V), and U(VI).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

Topology-Guided Design and Syntheses of Highly Stable Mesoporous Porphyrinic Zirconium Metal-Organic Frameworks with High Surface Area

Through a topology-guided strategy, a series of Zr-6-containing isoreticular porphyrinic metalorganic frameworks (MOFs), PCN-228, PCN-229, and PCN-230, with ftw-a topology were synthesized using the extended porphyrinic linkers. The bulky porphyrin ring ligand effectively prevents the network interpenetration which often appears in MOFs with increased linker length. The pore apertures of the structures range from 2.5 to 3.8 nm, and PCN-229 demonstrates the highest porosity and BET surface area among the previously reported Zr-MOFs. Additionally, by changing the relative direction of the terminal phenyl rings, this series replaces a Zr-8 cluster with a smaller Zr-6 cluster in a topologically identical framework. The high connectivity of the Zr-6 cluster yields frameworks with enhanced stability despite high porosity and ultralarge linker. As a representative example, PCN-230, constructed with the most extended porphyrinic linker, shows excellent stability in aqueous solutions with pH values ranging from 0 to 12 and demonstrates one of the highest pH tolerances among all porphyrinic MOFs. This work not only presents a successful example of rational design of MOFs with desired topology, but also provides a strategy for construction of stable mesoporous MOFs.

Liu, TF↗
DOE OSTI2012

Tuning the Surface Structure and Optical Properties of CdSe Clusters Using Coordination Chemistry

A series of nonstoichiometric CdSe clusters with lowest energy electronic absorptions between 409 and 420 nm has been prepared from cadmium 1-naphthoate, 2-naphthoate, 4-thiomethyl-1-naphthaote, and 1-naphthalene thiolate complexes and diphenylphosphine selenide (DPPSe). Pair distribution function analysis of X-ray diffraction data, ligand exchange experiments, and NMR molecular weight analyses suggest the nanocrystal core changes minimally among these clusters despite significant changes to their absorption and luminescence spectra. Photoluminescence excitation spectra obtained at 77 K reveal an energy transfer process between the surface-trapped excited state and the naphthalene-containing ligands that leads to ligand phosphorescence. A Dexter energy transfer mechanism is proposed to explain the observation of ligand phosphorescence on excitation of the cluster. These compounds demonstrate that cluster absorption and trap luminescence can be controlled with surface coordination chemistry.

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

Effectively suppressing dissolution of manganese from spinel lithium manganate via a nanoscale surface-doping approach

The capacity fade of lithium manganate-based cells is associated with the dissolution of Mn from cathode/electrolyte interface due to the disproportionation reaction of Mn( III), and the subsequent deposition of Mn(II) on the anode. Suppressing the dissolution of Mn from the cathode is critical to reducing capacity fade of LiMn2O4-based cells. Here we report a nanoscale surface-doping approach that minimizes Mn dissolution from lithium manganate. This approach exploits advantages of both bulk doping and surface-coating methods by stabilizing surface crystal structure of lithium manganate through cationic doping while maintaining bulk lithium manganate structure, and protecting bulk lithium manganate from electrolyte corrosion while maintaining ion and charge transport channels on the surface through the electrochemically active doping layer. Consequently, the surface-doped lithium manganate demonstrates enhanced electrochemical performance. This study provides encouraging evidence that surface doping could be a promising alternative to improve the cycling performance of lithium-ion batteries.

Lithium ion battery↗
DOE OSTI2015

Oxide driven strength evolution of silicon surfaces

Previous experiments have shown a link between oxidation and strength changes in single crystal silicon nanostructures but provided no clues as to the mechanisms leading to this relationship. Using atomic force microscope-based fracture strength experiments, molecular dynamics modeling, and measurement of oxide development with angle resolved x-ray spectroscopy we study the evolution of strength of silicon (111) surfaces as they oxidize and with fully developed oxide layers. We find that strength drops with partial oxidation but recovers when a fully developed oxide is formed and that surfaces intentionally oxidized from the start maintain their high initial strengths. MD simulations show that strength decreases with the height of atomic layer steps on the surface. These results are corroborated by a completely separate line of testing using micro-scale, polysilicon devices, and the slack chain method in which strength recovers over a long period of exposure to the atmosphere. Combining our results with insights from prior experiments we conclude that previously described strength decrease is a result of oxidation induced roughening of an initially flat silicon (1 1 1) surface and that this effect is transient, a result consistent with the observation that surfaces flatten upon full oxidation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Generalized adsorption isotherms for molecular and dissociative adsorption of a polar molecular species on two polar surface geometries: Perovskite (100) (Pm-3m) and fluorite (111) (Fm-3m)

Lattice based kinetic Monte Carlo simulations have been used to determine a functional form for the second order adsorption isotherms on two commonly investigated crystal surfaces: the (111) fluorite surface and the (100) perovskite surface which has the same geometric symmetry as the NaCl (100) surface. The functional form is generalized to be applicable to all values of the equilibrium constant by a shift along the pressure axis. Functions have been determined for estimating the pressure at which a desired coverage would be achieved and, conversely, for estimating the coverage at a certain pressure. The generalized form has been calculated by investigating the surface adsorbate coverage across a range of thermodynamic equilibrium constants that span the range 10{sup −26} to 10{sup 13}. The equations have been shown to be general for any value of the adsorption equilibrium constant.

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

Realizing in-plane surface diffraction by x-ray multiple-beam diffraction with large incidence angle

Based on rigorous dynamical-theory calculations, we demonstrate in this paper the principle of an x-ray multiple-beam diffraction (MBD) scheme that overcomes the long-lasting difficulties of high-resolution in-plane diffraction from crystal surfaces. This scheme only utilizes symmetric reflection geometry with large incident angles but activates the out-of-plane and in-plane diffraction processes simultaneously and separately in the continuous MBD planes. The in-plane diffraction is realized by detoured MBD, where the intermediate diffracted waves propagate parallel to the surface, which corresponds to an absolute Bragg surface diffraction configuration that is extremely sensitive to surface structures. Finally, a series of MBD diffraction and imaging techniques may be developed from this principle to study surface/interface (misfit) strains, lateral nanostructures, and phase transitions of a wide range of (pseudo)cubic crystal structures, including ultrathin epitaxial films and multilayers, quantum dots, strain-engineered semiconductor or (multi)ferroic materials, etc.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Influence of the carbon fiber surface microstructure on the surface chemistry generated by a thermo-chemical surface treatment

Carbon fibers made of textile and aerospace grade polyacrylonitrile precursor fibers were surface treated by a continuous gas phase thermo-chemical treatment. The surface chemistry generated by the surface treatment was characterized by X-ray photoelectron spectroscopy. The surface and the average entire micro-structure of the fibers were characterized by Raman spectroscopy and X-ray diffraction, respectively. Depending on the grade of the precursor, the final surface concentration of oxygen was comprised between 14% and 24%, whereas the typical commercial electro-chemical surface treatments led to concentrations of around 8% with the same fibers. The final concentration of oxygen was directly correlated to the size of the crystallites which was a function of the grade of the polyacrylonitrile precursor and to the corresponding surface micro-structure. The thermo-chemical surface treatment enabled a better control of the nature of the oxygen-containing functionalities as well. Whatever the grade of the precursor, desired hydroxyl groups and carboxylic acid functionalities were preferably generated, which was not observed with electro-chemical surface treatments.

Vautard, Frederic↗
NASA NTRS2001

'The surface management system' (SuMS) database: a surface-based database to aid cortical surface reconstruction, visualization and analysis

Surface reconstructions of the cerebral cortex are increasingly widely used in the analysis and visualization of cortical structure, function and connectivity. From a neuroinformatics perspective, dealing with surface-related data poses a number of challenges. These include the multiplicity of configurations in which surfaces are routinely viewed (e.g. inflated maps, spheres and flat maps), plus the diversity of experimental data that can be represented on any given surface. To address these challenges, we have developed a surface management system (SuMS) that allows automated storage and retrieval of complex surface-related datasets. SuMS provides a systematic framework for the classification, storage and retrieval of many types of surface-related data and associated volume data. Within this classification framework, it serves as a version-control system capable of handling large numbers of surface and volume datasets. With built-in database management system support, SuMS provides rapid search and retrieval capabilities across all the datasets, while also incorporating multiple security levels to regulate access. SuMS is implemented in Java and can be accessed via a Web interface (WebSuMS) or using downloaded client software. Thus, SuMS is well positioned to act as a multiplatform, multi-user 'surface request broker' for the neuroscience community.

NASA Discipline Neuroscience↗
DOE OSTI2014

High-precision instrument for measuring the surface tension, viscosity and surface viscoelasticity of liquids using ripplon surface laser-light scattering with tunable wavelength selection

Here we describe our new high-precision instrument that simultaneously measures the surface tension, viscosity, and surface viscoelasticity of liquids. The instrument works on the ripplon surface-laser light scattering principle and operates with an automatically tunable selection of ripplon wavelength from 4 to 1500 μm, which corresponds to the frequency range of observing surface phenomena from approximately 400 Hz to 3 MHz in the case of water. The heterodyne technique instrument uses a reference laser beam which intersects at an arbitrarily adjustable angle with a vertically directed probing beam. For the determination of the wavelength of selected ripplons we substituted with the interference fringe spacing, measured using a high-resolution beam profiler. To extract reliable surface tension and viscosity data from the experimentally obtained spectrum shape for a selected wavelength of ripplon, we developed an algorithm to calculate the exact solution of the dispersion equation. The uncertainties of surface tension and viscosity measurement were confirmed through the measurement of seven pure Newtonian liquids at 25 °C measured with the selected wavelength of ripplon from 40 μm to 467 μm. To verify the genuine capability of the tunable wavelength selection of ripplon, we measured the surface elasticity of soluble surface molecular layers spread on pentanoic acid solutions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Ptychographic x-ray imaging of surfaces on crystal truncation rod

Ptychography is a high-resolution imaging technique, which does not require lenses for image magnification and which provides phase contrast with high sensitivity. Here, we propose to use x-ray ptychography for the imaging of surface structure in crystalline samples. We show that ptychography can be used to image atomic step structures using coherent diffraction patterns recorded along the crystal truncation rod of a crystal surface. In a proof-of-concept experiment on a Pt (111) sample, we present ptychographic reconstructions showing features consistent with surface steps. Due to the penetration power of x-rays, this method could find interesting applications for the study of surface structures under buried interfaces or in harsh environments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Facile Dehydrogenation of Ethane on the IrO 2 (110) Surface

Realizing the efficient and selective conversion of ethane to ethylene is important for improving the utilization of hydrocarbon resources, yet remains a major challenge in catalysis. Herein, ethane dehydrogenation on the IrO 2 (110) surface is investigated using temperature-programmed reaction spectroscopy (TPRS) and density functional theory (DFT) calculations. The results show that ethane forms strongly bound σ-complexes on IrO 2 (110) and that a large fraction of the complexes undergo C–H bond cleavage during TPRS at temperatures below 200 K. Further, continued heating causes as much as 40% of the dissociated ethane to dehydrogenate and desorb as ethylene near 350 K, with the remainder oxidizing to CO x species. Both TPRS and DFT show that ethylene desorption is the rate-controlling step in the conversion of ethane to ethylene on IrO 2 (110) during TPRS. Partial hydrogenation of the IrO 2 (110) surface is found to enhance ethylene production from ethane while suppressing oxidation to CO x species. DFT predicts that hydrogenation of reactive oxygen atoms of the IrO 2 (110) surface effectively deactivates these sites as H atom acceptors, and causes ethylene desorption to become favored over further dehydrogenation and oxidation of ethane-derived species. Finally, the study reveals that IrO 2 (110) exhibits an exceptional ability to promote ethane dehydrogenation to ethylene near room temperature, and provides molecular-level insights for understanding how surface properties influence selectivity toward ethylene production.

bond cleavage oxidation↗