Search NASA⌕ Search

SEARCH · Search NASA

Results for “Surface functionalization”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
NASA NTRS1972

The geomorphic evolution of the lunar surface.

The solution of the function relating craters of the continuous degradation sequence with degree of erosion was defined as the geomorphic index of the area. Studies of the geomorphic index of stratigraphic surfaces show that areas covered by considerable ballistic sediments have a geomorphic index which is not a monotonic function of time. On the other hand, areas covered almost exclusively by mare flooding show an index which is a monotonic function of the age of the flooding. As each mare surface shows a considerable range in indices, it is concluded that maria are covered by surfaces formed through a considerable length of time. By using Apollo 11 and 12 radiometric ages it is suggested that the time of mare flooding lasted on the order of one billion years. The geomorphic index of highland surfaces shows a remarkable degree of order - i.e., the farther an area is inland from the mare shores, the higher will be the index. No explanation is given for this phenomenon, but it is suggested that lunar erosion is not just a localized phenomenon centered on the locus of an impact, but has lateral trends of regional dimensions.

Ronca, L. B.↗
DOE OSTI2018

Carbon Nanotube Web with Carboxylated Polythiophene “Assist” for High-Performance Battery Electrodes

In this paper, a carbon nanotube (CNT) web electrode comprising magnetite spheres and few-walled carbon nanotubes (FWNTs) linked by the carboxylated conjugated polymer, poly[3-(potassium-4-butanoate) thiophene] (PPBT), was designed to demonstrate benefits derived from the rational consideration of electron/ion transport coupled with the surface chemistry of the electrode materials components. To maximize transport properties, the approach introduces monodispersed spherical Fe 3 O 4 (sFe 3 O 4 ) for uniform Li + diffusion and a FWNT web electrode frame that affords characteristics of long-ranged electronic pathways and porous networks. The sFe 3 O 4 particles were used as a model high-capacity energy active material, owing to their well-defined chemistry with surface hydroxyl (-OH) functionalities that provide for facile detection of molecular interactions. PPBT, having a π-conjugated backbone and alkyl side chains substituted with carboxylate moieties, interacted with the FWNT π-electron-rich and hydroxylated sFe 3 O 4 surfaces, which enabled the formation of effective electrical bridges between the respective components, contributing to efficient electron transport and electrode stability. To further induce interactions between PPBT and the metal hydroxide surface, polyethylene glycol was coated onto the sFe 3 O 4 particles, allowing for facile materials dispersion and connectivity. Additionally, the introduction of carbon particles into the web electrode minimized sFe 3 O 4 aggregation and afforded more porous FWNT networks. Finally, as a consequence, the design of composite electrodes with rigorous consideration of specific molecular interactions induced by the surface chemistries favorably influenced electrochemical kinetics and electrode resistance, which afforded high-performance electrodes for battery applications.

25 ENERGY STORAGE↗
DOE OSTI2021

Effects of surface species and homogeneous reactions on rates and selectivity in ethane oxidation on oxide catalysts

Selective alkane oxidations on metal oxide catalysts involve complex mechanisms with multiple reactions in series and parallel, different types of reduced and oxidized surface species, and potential contributions from gas-phase reactions. We report kinetics and thermodynamics of elementary steps involved in C 2 H 6 -O 2 reactions on SiO 2 -supported small vanadium oxide domains are determined using density functional theory. These surface reactions together with gas-phase mechanisms are incorporated in kinetic simulations to determine how surface and gaseous reactions interact and contribute to rates and selectivity. The results show that gas-phase reactions within pore volumes in contact with the catalyst contribute significantly to C 2 H 6 activation rates, even at conditions where gas-phase reactions in empty volumes without catalyst are negligible. The majority of C 2 H 6 activations occur on the surface, via H abstraction by vanadium oxo species present at terminal lattice oxygens. The gas-phase activations via H-abstraction by OH radicals also exhibit significant contributions. The reduced centers formed by reactions at vanadium oxo species are re-oxidized rapidly and, therefore, are present in very small concentrations at reaction conditions. The re-oxidation steps lead to the formation of HO 2 radicals and surface peroxo species that are also rapidly consumed and are present in small concentrations. The peroxo species preferentially convert C 2 H 4 to its epoxide product and influence selectivity even at low concentrations. The gas-phase reactions decrease the concentrations of peroxo species and improve selectivity slightly. The effects of reaction conditions and catalyst site density provide further insights into how factors beyond conversions at lattice oxygens influence rates and selectivity in alkane oxidation reactions of significant industrial importance.

42 ENGINEERING↗
NASA NTRS1976

Gas-phase hydrogen permeation through alpha-titanium - Surface film and dimensional effects

The two techniques normally used to determine diffusivity and permeability in metals are considered and a description is presented of experiments which had been conducted to determine the direct effect of oxide and nitride films on the membrane surface as a function of location and thickness. The test specimens used in the experiments has been machined from commercially pure titanium rod. The results of the experiments show that hydrogen transport in alpha-titanium is partially or completely controlled by surface reactions depending upon membrane wall thickness and the composition and thickness of the surface film.

Shah, K. K.↗
NASA NTRS1979

Wing aerodynamic loading caused by jet-induced lift associated with STOL-OTW configurations

Surface pressure distributions were obtained with model-scale STOL-OTW configurations using various nozzles designed to promote flow attachment to the wing/flap surface. The nozzle configurations included slot-types and both circular and slot nozzles with external flow deflectors. The wing aerodynamic loading caused by the jet-induced lift is presented in conventional terms of delta p/q as a function of chordwise surface distance in the nozzle centerline plane as well as outboard of the nozzle centerline. Nozzle roof/deflector angle, chordwise location of the nozzle, wing size, and flap deflection angle are included in the geometric variables affecting the wing loading.

Vonglahn, U.↗
NASA NTRS1979

Wing aerodynamic loading caused by jet-induced lift associated with STOL-OTW configurations

Surface pressure distributions were obtained with model-scale STOL-OTW configurations using various nozzles designed to promote flow attachment to the wing-flap surface. The nozzle configurations included slot-types and both circular and slot nozzles with external flow deflectors. The wing aerodynamic loading caused by the jet-induced lift is presented in conventional terms of delta p/q as a function of chordwise surface distance in the nozzle centerline plane as well as outboard of the nozzle centerline. Included in the geometric variables affecting the wing loading are nozzle roof/deflector angle, chordwise location of the nozzle, wing size, and flap deflection angle.

Von Glahn, U.↗
NASA NTRS1981

The effects of clouds on the light produced by lightning

A Monte Carlo simulation of the effects of finite clouds on the light impulses was produced by point and finite lightning sources within cubical, cylindrical, and spherical clouds. It is shown that absorption is essentially negligible in the visible and near infrared. The fractions of photons which escape various cloud surfaces are a function of position and geometry of the source. The light emission is high for intracloud discharges and the incloud portion of cloud to ground discharges. It is concluded that the characteristic dimensions of the light escaping from a cloud surface are typically 60 to 70% of the cloud dimensions while the time broadening of an impulse by multiple scattering can be tens of microseconds or more.

Thomason, L. W.↗
DOE OSTI2025

Morphology Effects on Free Energies of Proton-Coupled Electron Transfer in Polyoxotungstates

Polyoxotungstates have previously been established to facilitate the hydrogenation of small molecule substrates via hydrogen atom transfer from reactive hydroxyl groups formed at the assembly surface. Understanding structure−function relationships that dictate the thermochemistry and kinetics of protoncoupled electron transfer is key to controlling this chemistry. In this work, we combine comprehensive electrochemical experiments and density functional theory calculations to address how different polyoxotungstate morphologies, specifically W 6 O 19 −2 , W 10 O 32 −4 , SiW 12 O 40 −4 , and P 2 W 18 O 62 −6 , affect the bond dissociation free energies of surface hydroxides (BDFE(O−H)) formed upon reduction of the assembly in acidic media. Our results reveal increasing hydroxide bond strengths with increasing cluster size, and that anisotropic cluster geometries result in substantial thermodynamic differentiation of H-binding sites. We demonstrate an excellent agreement between theory and experiments on the reported BDFE(O−H) values and, importantly, we elucidate how cluster size and shape affect electronic properties (local charges and frontier molecular orbitals), giving rise to sites with increased preference for hydrogen binding, demonstrated in higher BDFE(O−H). Overall, this work aids the understanding and design of polyoxometalates exhibiting surface sites with tailored interaction strengths.

anions↗
NASA NTRS1971

Thermal contact resistance in a non-ideal joint

The contact of two rough, wavy surfaces; the contact of two rough but nominally flat plates pressed together over a concentrated area; and the contact of two rough but nominally flat plates bolted together are considered. In each case the pressure distribution is calculated as a function of the surface properties. In the case of wavy surfaces it is found that all necessary information for any combination of parameters can be reduced to one master graph. In the other two cases one such graph is needed for each geometry used. The resulting pressure distributions are used in a specific heat transfer example and the total joint resistance versus roughness is presented. A method for decreasing the resistance by increasing the roughness is shown.

Roca, R. T.↗
NASA NTRS1975

Lunakhod-2 in Lemonnier crater

A study of surface properties of the Lemonnier Crater by Lunakhod 2 is summarized. Special efforts were made to determine the variations of physical-chemical properties of the lunar surface as a function of the selenological-morphological structure in the transition zone of a mare region to the highlands. Studies were also made of the local magnetic situation, physical-mechanical properties of the soil, and the optical properties of the surface.

Koval, A.↗
NASA NTRS2012

Adhesion in a Vacuum Environment and its Implications for Dust Mitigation Techniques on Airless Bodies

During the Apollo missions, the adhesion of dust to critical spacecraft systems was a greater problem than anticipated and resulted in functional degradation of thermal control surfaces, spacesuit seals, and other spacecraft components. Notably, Earth-based simulation efforts did not predict the magnitude and effects of dust adhesion in the lunar environment. Forty years later, we understand that the ultrahigh vacuum (UHV) environment, coupled with micrometeorite impacts and constant ion and photon bombardment from the sun result in atomically clean and high surface energy dust particles and spacecraft surfaces. However, both the dominant mechanism of adhesion in airless environments and the conditions for high fidelity simulation tests have still to be determined. The experiments presented in here aim to aid in the development of dust mitigation techniques for airless bodies (e.g., lunar surface, asteroids, moons of outer planets). The approach taken consists of (a) quantifying the adhesion between common polymer and metallic spacecraft materials and a synthetic noritic volcanic glass, as a function of surface cleanliness and of triboelectric charge transfer in a UHV environment, and (b) determining parameters for high fidelity tests through investigation of adhesion dependence on vacuum environment and sample treatment. Adhesion force has been measured between pins of spacecraft materials and a plate of synthetic volcanic glass by determining the pull-off force with a torsion balance. Although no significant adhesion is generally observed directly as a result of high surface energies, the adhesion due to induced electrostatic charge is observed to increase with spacecraft material cleanliness, in some cases by over a factor of 10. Furthermore, electrostatically-induced adhesion is found to decrease rapidly above pressures of 10-6 torr. It is concluded that high-fidelity tests should be conducted in high to ultrahigh vacuum and include an ionized surface cleaning process.

Berkebile, Stephen↗
DOE OSTI2020

Lineage-based functional types: characterising functional diversity to enhance the representation of ecological behaviour in Land Surface Models

Process-based vegetation models attempt to represent the wide range of trait variation in biomes by grouping ecologically similar species into plant functional types (PFTs). This approach has been successful in representing many aspects of plant physiology and biophysics but struggles to capture biogeographic history and ecological dynamics that determine biome boundaries and plant distributions. Grass-dominated ecosystems are broadly distributed across all vegetated continents and harbour large functional diversity, yet most Land Surface Models (LSMs) summarise grasses into two generic PFTs based primarily on differences between temperate C 3 grasses and (sub)tropical C 4 grasses. Incorporation of species-level trait variation is an active area of research to enhance the ecological realism of PFTs, which form the basis for vegetation processes and dynamics in LSMs. Using reported measurements, we developed grass functional trait values (physiological, structural, biochemical, anatomical, phenological, and disturbance-related) of dominant lineages to improve LSM representations. In this work, our method is fundamentally different from previous efforts, as it uses phylogenetic relatedness to create lineage-based functional types (LFTs), situated between species-level trait data and PFT-level abstractions, thus providing a realistic representation of functional diversity and opening the door to the development of new vegetation models.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1992

The stability functions in the bulk similarity formulation for the unstable boundary layer

An update is presented for the function C in the heat transfer equation and for the function Bw in the momentum transfer equation of the bulk similarity approach for the atmospheric boundary layer (ABL). Motives for this update are recent developments in the formulation of Monin-Obukhov functions for the surface layer, and the availability of the new data set of FIFE-89, the 1989 phase of the First ISLSCP Field Experiment, which took place over the same hilly prairie terrain in northeastern Kansas as the 1987 phase, i.e., FIFE-87. Functional forms developed in earlier studies are considered. In addition, a new form is derived based on a simple dual structure of the ABL. The functions are calibrated with the data set obtained during FIFE-87; the results are then verified with the independent data set acquired during FIFE-89.

Sugita, Michiaki↗
DOE OSTI2015

Combining density functional and incremental post-Hartree-Fock approaches for van der Waals dominated adsorbate-surface interactions: Ag{sub 2}/graphene

A combined density functional (DFT) and incremental post-Hartree-Fock (post-HF) approach, proven earlier to calculate He-surface potential energy surfaces [de Lara-Castells et al., J. Chem. Phys. 141, 151102 (2014)], is applied to describe the van der Waals dominated Ag{sub 2}/graphene interaction. It extends the dispersionless density functional theory developed by Pernal et al. [Phys. Rev. Lett. 103, 263201 (2009)] by including periodic boundary conditions while the dispersion is parametrized via the method of increments [H. Stoll, J. Chem. Phys. 97, 8449 (1992)]. Starting with the elementary cluster unit of the target surface (benzene), continuing through the realistic cluster model (coronene), and ending with the periodic model of the extended system, modern ab initio methodologies for intermolecular interactions as well as state-of-the-art van der Waals-corrected density functional-based approaches are put together both to assess the accuracy of the composite scheme and to better characterize the Ag{sub 2}/graphene interaction. The present work illustrates how the combination of DFT and post-HF perspectives may be efficient to design simple and reliable ab initio-based schemes in extended systems for surface science applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Electrochemical Control of the Morphology and Functional Properties of Hierarchically Structured, Dendritic Cu Surfaces

Electrodeposited dendritic copper foams have been extensively studied as an electrocatalyst for CO 2 reduction reaction (CO 2 RR). Many parameters, such as dendrite size, porosity, pore size, and crystal faceting, define the hierarchical properties of these structures and their subsequent bubble evolution and CO 2 RR capabilities. Herein, the effects the electrodeposition conditions (potential, pH) have on the resulting crystallinity, microstructure, and macroporosity of the copper foam are studied. These morphological differences and the corresponding effects on electrocatalytic activity are characterized. It is shown that the composition of the electrodeposition bath can have significant effects on the mechanics of bubble formation and detachment at the surface during hydrogen evolution reaction in acidic solutions. Similarly, the electrodeposition conditions for the synthesis of the foam affect the product selectivity during CO 2 RR electrocatalysis. As a result, foams deposited in alkaline electrodeposition solutions show high faradaic efficiency and specificity toward C 2 H 6 , an uncommon product of CO 2 RR, at modest applied potentials (−0.8 V versus reversible hydrogen electrode.

14 SOLAR ENERGY↗