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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 1,729 records · Page 96
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Surface-plasmons lasing in double-graphene-layer structures

We consider the concept of injection terahertz lasers based on double-graphene-layer (double-GL) structures with metal surface-plasmon waveguide and study the conditions of their operation. The laser under consideration exploits the resonant radiative transitions between GLs. This enables the double-GL laser room temperature operation and the possibility of voltage tuning of the emission spectrum. We compare the characteristics of the double-GL lasers with the metal surface-plasmon waveguides with those of such laser with the metal-metal waveguides.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Topological surface states on the nonpolar (110) and (111) surfaces of SmB 6

In order to clarify the controversial issue of the topological nature in a mixed-valent Kondo system, SmB 6 , we have explored the surface states on the nonpolar (110) surface of SmB 6 , employing both angle-resolved photoemission spectroscopy (ARPES) experiment and ab initio density-functional theory (DFT) band calculations. Based on ARPES spectroscopic fingerprints and the DFT surface band structures, we ascribe the observed spectral weights at $\bar{X}$ and $\bar{Y}$ on the (110) surface Brillouin zone to topological surface states (TSSs) of “topological insulator (TI)” nature and of “topological crystalline insulator (TCI)” nature, respectively. With varying the chemical potential, the double Dirac cones of the TCI nature exhibit a Lifshitz transition of Fermi surfaces with intriguing spin textures. Further, we have also examined the TSSs on the nearly nonpolar (111) surface of SmB 6 in connection with a recently reported ARPES result and proposed a way to probe the Dirac points that are buried in the bulk-projected bands.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1974

Scanning electron microscopy of lunar regolith from the Sea of Fertility

Scanning electron microscopy was used in studying the morphology and cathodoluminescence of lunar regolith particles. Surface and structure of two groups of particles are differentiated: (1) Crystalline with well defined facets and spalling surfaces, which are grains of minerals and rock fragments: and (2) amorphous, fused, and partially or entirely glazed particles. Local melting of particles and the round openings on their surfaces are attributed to secondary influence on the regolith of factors of lunar weathering and above all micrometeoric impacts.

Antoshin, M. K.↗
NASA NTRS1990

Simultaneous active control of flexural and extensional waves in beams

The simultaneous active control of flexural and extensional vibrations in elastic beams is experimentally investigated. The results demonstrate that using pairs of piezoceramic transducers, whose elements are symmetrically located and independently controlled by a multichannel adaptive controller, enables the high attenuation of both flexural and extensional response. This capability is due to the nature of the piezoceramic element, which when bonded to the surface of the structure and electrically excited, exerts a surface strain on the structure. This strain enables input of both shear forces and moments into the structural system. The results are applicable to many situations where extensional vibrations couple to large flexural vibrations and subsequently radiate significant sound levels.

Fuller, C. R.↗
DOE OSTI2015

Benzene derivatives adsorbed to the Ag(111) surface: Binding sites and electronic structure

Dispersion corrected Density Functional Theory calculations were employed to study the adsorption of benzenes derivatized with functional groups encompassing a large region of the activated/deactivated spectrum to the Ag(111) surface. Benzenes substituted with weak activating or deactivating groups, such as methyl and fluoro, do not have a strong preference for adsorbing to a particular site on the substrate, with the corrugations in the potential energy surface being similar to those of benzene. Strong activating (N(CH{sub 3}){sub 2}) and deactivating (NO{sub 2}) groups, on the other hand, possess a distinct site preference. The nitrogen in the former prefers to lie above a silver atom (top site), but in the latter a hollow hexagonal-closed-packed (H{sub hcp}) site of the Ag(111) surface is favored instead. Benzenes derivatized with classic activating groups donate electron density from their highest occupied molecular orbital to the surface, and those functionalized with deactivating groups withdraw electron density from the surface into orbitals that are unoccupied in the gas phase. For benzenes functionalized with two substituents, the groups that are strongly activating or deactivating control the site preference and the other groups assume sites that are, to a large degree, dictated by their positions on the benzene ring. The relative stabilities of the ortho, meta, and para positional isomers of disubstituted benzenes can, in some cases, be modified by adsorption to the surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2007

Larger, Lighter Space Telescopes by Implementing In-Space Manufacturing Concepts

There is a continuous demand for larger, lighter, and higher quality telescopes from both the astronomical and global surveillance communities one looking up and the other down. Enabling technologies must be developed and implemented that will allow this goal to be financially and technically feasible. The optical systems needed far high spatial resolution surveillance and astronomical applications require large optical, apertures with mention of future systems up to 150 meter in diameter. With traditional optical manufacturing technologies, large optical aperture means high mass and long fabrication lead times with associated high costs. Completely new approaches to optical fabrication must be developed to enable the fabrication of such optical systems. The cost and lead time associated with the fabrication of lightweight, high quality optical systems limits the feasible size of the optics. A primary factor in the launch cost of space optical systems is volume and mass. To minimize the mass of the high quality optics, optical fabricators implement materials with high specific stiffness and use honeycomb, or other structural minimization patterns, to support the optical surface; however, the structure must still be designed to survive launch loads. This sigmficantly adds to the fabrication difficulty and dramatically increases launch costs. One approach to minimizing launch volume and negating the need for the design to survive launch loads is to send the manufacturing facility and raw materials into space and perform the fabrication in-situ. We, are currently performing feasibility studies of initial concepts for inspace manufacturing of optical systems. By utilizing the micro-gravity and vacuum environment of space while eliminating the constraints defined by high launch forces and limited volume of the launch vehicle, the development of large, high quality glass membrane mirrors may be feasible. Several concepts were investigated to address the manufacturing of both optical surfaces and telescope structure. We will describe one of the primary approaches to utilize the space environment for optical manufacturing and describe initial results.

Mooney, James t.↗
DOE OSTI2019

Structure and Properties of Gallium-Oxide Films Produced by High-Frequency Magnetron-Assisted Deposition

The properties of gallium-oxide films produced by the radio-frequency magnetron-assisted sputtering of a β-Ga{sub 2}O{sub 3} target with deposition onto sapphire substrates are studied. The as-deposited gallium-oxide films are polycrystalline and contain crystallites of the α and β phases. Exposure to oxygen plasma does not bring about the appearance of new crystallites but makes crystallites several times larger in average dimensions in the substrate plane. After annealing at 900°C, the crystallite size becomes twice as large as that in the unannealed film. The films not subjected to thermal annealing exhibit a high resistance at 20°C. In the range of 50–500°C, the conductivity of the samples (G) only slightly depends on temperature (T) and, as T is elevated further, exponentially increases with the activation energy 0.7–1.0 eV. After annealing of the films in argon at 900°C (30 min), the conductivity G starts to sharply increase at T ≈ 350°C. In the dependence of lnG on T {sup –1}, a maximum in the range of 470–520°C and a portion of decreasing conductivity at higher temperatures are observed. The unusual temperature dependence of the conductivity after annealing is attributed to a change in the structure and phase composition of polycrystalline gallium-oxide films and, possibly, to some effects at the surface. The structures produced on insulating substrates are solar blind in the visible wavelength region and sensitive to radiation in the ultraviolet region (222 nm).

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Evolution of nontrivial Fermi surface features in the band structures of the homologous members Pb 5 Bi 6 Se 14 and Pb 5 Bi 12 Se 23

High-quality single crystals of (PbSe) 5 (Bi 2 Se 3 ) 3m were grown and analyzed by nuclear magnetic resonance (NMR) spectroscopy. We report on 77 Se and 207 Pb NMR shifts and nuclear spin-lattice relaxation measurements in the naturally formed heterostructure homology (PbSe) 5 (Bi 2 Se 3 ) 3m with m = 1 (Pb 5 Bi 6 Se 14 ) and m = 2 (Pb 5 Bi 12 Se 23 ). A distinct site-specific contribution has been detected for both nuclei as a function of temperature, which reveals an electronic changeover from a semiconducting (Pb 5 Bi 6 Se 14 ) to a semimetalliclike (Pb 5 Bi 12 Se 23 ) system with nontrivial band structure features near the Fermi level. The temperature dependences of the relaxation rates are dominated by significant changes in the topology of energy dispersions accompanied with band edges and crossings in the region of the Fermi surface. These results, which interrogate nuclear spin interactions from selected atomic sites, clearly expose the effects of the added Bi 2 Se 3 layer on the crystal and electronic structure of (Pb 5 Bi 12 Se 23 ). These findings provide direct microscopic insight into the unconventional and dual nature of the electronic structure of these homologous thermoelectric and topologically nontrivial compounds.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1994

Energy- and Structure-Related Properties for the (100) Surface of Beta-SiC

Calculations were carried out to investigate energy- and structure-related properties for the (100) surfaces of beta-SiC. Investigations for both C- and Si-terminated planes include (1 x 1), (2 x 1) and c(2 x 2) surface phases. All calculations were performed employing the empirical Tersoff function developed for SiC systems. This function has been used on several occasions, with varying sets of parameters to calculate properties for systems containing Si and C atoms. Here a comparative study was conducted. Results obtained from different sets of parameters were compared with respect to each other and also with values from the literature. Suitabilities and limitations of each parameter set were delineated.

Halicioglu, Timur↗
DOE OSTI2017

Characterization of Silicon Nanocrystal Surfaces by Multidimensional Solid-State NMR Spectroscopy

The chemical and photophysical properties of silicon nanocrystals (Si NCs) are strongly dependent on the chemical composition and structure of their surfaces. Here we use fast magic angle spinning (MAS) and proton detection to enable the rapid acquisition of dipolar and scalar 2D 1 H– 29 Si heteronuclear correlation (HETCOR) solid-state NMR spectra and reveal a molecular picture of hydride-terminated and alkyl-functionalized surfaces of Si NCs produced in a nonthermal plasma. 2D 1 H– 29 Si HETCOR and dipolar 2D 1 H– 1 H multiple-quantum correlation spectra illustrate that resonances from surface mono-, di-, and trihydride groups cannot be resolved, contrary to previous literature assignments. Instead the 2D NMR spectra illustrate that there is large distribution of 1 H and 29 Si chemical shifts for the surface hydride species in both the as-synthesized and functionalized Si NCs. However, proton-detected 1 H– 29 Si refocused INEPT experiments can be used to unambiguously differentiate NMR signals from the different surface hydrides. Varying the 29 Si evolution time in refocused INEPT experiments and fitting the oscillation of the NMR signals allows for the relative populations of the different surface hydrides to be estimated. This analysis confirms that monohydride species are the predominant surface species on the as-synthesized Si NCs. A reduction in the populations of the di- and trihydrides is observed upon functionalization with alkyl groups, consistent with our previous hypothesis that the trihydride, or silyl (*SiH 3 ), group is primarily responsible for initiating surface functionalization reactions. Density functional theory (DFT) calculations were used to obtain quantum chemical structural models of the Si NC surface and reproduce the observed 1 H and 29 Si chemical shifts. Furthermore, the approaches outlined here will be useful to obtain a more detailed picture of surface structures for Si NCs and other hydride-passivated nanomaterials.

29Si NMR↗
DOE OSTI2019

Identification of a Pt 3 Co Surface Intermetallic Alloy in Pt–Co Propane Dehydrogenation Catalysts

Bimetallic Pt-Co nanoparticles (NPs) were prepared and characterized by scanning transmission electron microscopy, in situ X-ray absorption spectroscopy, in situ synchrotron X-ray diffraction, and catalytic conversion for propane dehydrogenation with and without added H-2. In addition, the surface extended X-ray absorption fine structure (EXAFS) obtained by fitting the difference spectrum between the fully reduced and room-temperature-oxidized catalysts suggest that the surface structure remains Pt 3 Co, although the core changes from Pt to Pt 3 Co and to PtCo. At low Co loading, the bimetallic nanoparticles form a Pt3Co intermetallic surface alloy with Pt-rich core. With increasing Co loading, a full alloy forms where both the surface and NP compositions are Pt 3 Co. A further increase in Co loading leads to a Co-rich NP core, likely PtCo, with a surface of Pt 3 Co. Although Pt-Co intermetallic alloys form two different phases and several morphologies, the surface structures are similar in all catalysts. Although both monometallic Pt and Co are active for alkane dehydrogenation, all bimetallic Pt-Co catalysts are significantly more olefin selective than either single metal. The turnover rates of the bimetallic catalysts indicate that Pt is the active atom with little contribution from Co atoms. The high olefin selectivity is suggested to be due to Co acting as a less active structural promoter to break up large Pt ensembles in bimetallic NPs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Theoretical and experimental investigations on H2 sensing properties of flower-like titanium dioxide

Highlights: • Flower-like rutile TiO{sub 2} has been successfully synthesized. • The unique nanostructure show an great enhanced gas-sensing performance. • A sensing mechanism based on our calculation was proposal. - Abstract: Microstructure and gas sensing properties of partly agglomerating flower-like rutile TiO{sub 2} obtained using a one-pot hydrothermal method was investigated. Test results exhibited an excellent sensitivity to H{sub 2} gas and stable reproducibility. Further, we performed a first principles calculation of an established surface model to delve into the sensing mechanism. Adsorbed oxygen preferred to locate upon the Ti{sub 5c} site, while the electronic structure of surface had rather weak changes after hydrogen adsorption. This simulation may pave a new path to further discover the sensing mechanism of rutile TiO{sub 2}-based gas sensor.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Annealing effects on structural, electrical and optical properties of antimony-tinoxide thin films deposited by sol gel dip coating technique

Antimony-doped tin dioxide possess interesting physical and chemical properties. These properties have a wide range of applications such as catalysis and optoelectronic devices. In the present study, antimony-doped tin oxide (SnO2:Sb) thin films were deposited on the quartz substrates by sol-gel dip coating technique. The films were annealed at temperatures 350°C, 550°C and 850°C in air for 2 hours. The structure and surface morphologies were observed by X-ray diffraction (XRD) and Scanning electron microscopy (SEM). XRD patterns shows tetragonal structure for the SnO2:Sb films annealed at different temperatures. Crystallite size increased from 6 to 14 nm as annealing temperature increased from 350°C to 850°C. SEM studies reveals crack free and smooth surface for all the films. The grains are found to be homogenously distributed for films annealed at higher temperature. The electrical conductivity of the films annealed at 350°C and 550°C decreased and increased for the films annealed at 850°C. The optical properties of the films were investigated in the UV-visible-NIR region (200-900 nm) using UV spectra. The transmittance of the films decreased for films annealed at higher temperature. The optical energy band gap values (4.13 eV-4.83 eV) increased with the increase in annealing temperature.

36 MATERIALS SCIENCE↗
NASA NTRS1983

The relationship between surface topography, gravity anomalies, and temperature structure of convection

Consideration is given to the relationship between the temperature structure of mantle convection and the resulting surface topography and gravity anomalies, which are used in its investigation. Integral expressions relating the three variables as a function of wavelength are obtained with the use of Green's function solutions to the equations of motion for the case of constant-viscosity convection in a plane layer subject to a uniform gravitational field. The influence of the boundary conditions, particularly at large wavelengths, is pointed out, and surface topographies and gravity produced by convection are illustrated for a number of simple temperature distributions. It is shown that the upper thermal boundary layer plays an important role in determining the surface observables, while temperatures near the bottom of the layer affect mainly that boundary. This result is consistent with an explanation of geoid anomalies over mid-ocean swells in terms of convection beneath the lithosphere.

Parsons, B.↗
NASA NTRS2000

A Catchment-Based Approach to Modeling Land Surface Processes in a GCM: Model Structure - Part 1

A new strategy for modeling the land surface component of the climate system is described. The strategy is motivated by an arguable deficiency in most state-of-the-art land surface models (LSMs), namely the disproportionately higher emphasis given to the formulation of one-dimensional, vertical physics relative to the treatment of horizontal heterogeneity in surface properties -- particularly subgrid soil moisture variability and its effects on runoff generation. The new strategy calls for the partitioning of the continental surface into a mosaic of hydrologic catchments, delineated through analysis of high-resolution surface elevation data. The effective "grid" used for the land surface is therefore not specified by the overlying atmospheric grid. Within each catchment, the variability of soil moisture is related to characteristics of the topography and to three bulk soil moisture variables through a well-established model of catchment processes. This modeled variability allows the partitioning of the catchment into several areas representing distinct hydrological regimes, wherein distinct (regime-specific) evaporation and runoff parameterizations are applied. Care is taken to ensure that the deficiencies of the catchment model in regions of little to moderate topography are minimized.

Koster, Randal D.↗
DOE OSTI2014

Gradient changes in structural condition of the B2 phase of NiTi surface layers after electron-beam treatments

Structural conditions of the B2 phase of the Ti{sub 49.5}Ni{sub 50.5} alloy surface layers before and after electron-beam treatments (pulse duration τ = 150 μs, number of pulses n = 5, beam energy density E ≤ 20 J/cm{sup 2}) were studied by X-ray diffraction analysis. Analysis of the X-ray patterns demonstrates that surface layers modified by electron beam treatment contain phase with B2{sup surf} structure. It is revealed that the lattice parameter of the B2{sup surf} phase in the surface (modified) layer is also higher than the lattice parameter of the B2 phase in the underlying layer (a{sub B2} = 3.0159±0.0005). The values of lattice parameter of phase B2{sup surf} amounted a{sub B2}{sup surf} = 3.0316±0.0005 Å and a{sub B2}{sup surf} = 3.0252±0.0005 Å, for the specimens after electron-beam treatment at E{sub 1} = 15 J/cm{sup 2} and E{sub 2} = 20 J/cm{sup 2}, respectively. Inflated lattice parameters a{sub B2}{sup surf} are associated with changes in the chemical composition and the presence of residual stresses in the surface region of the samples after electron-beam treatments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Communication: Nanosize-induced restructuring of Sn nanoparticles

Stabilities and structures of β- and α-Sn nanoparticles are studied using density functional theory. Results show that β-Sn nanoparticles are more stable. For both phases of Sn, nanoparticles smaller than 1 nm (∼48 atoms) are amorphous and have a band gap between 0.4 and 0.7 eV. The formation of band gap is found to be due to amorphization. By increasing the size of Sn nanoparticles (1–2.4 nm), the degree of crystallization increases and the band gap decreases. In these cases, structures of the core of nanoparticles are bulk-like, but structures of surfaces on the faces undergo reconstruction. This study suggests a strong size dependence of electronic and atomic structures for Sn nanoparticle anodes in Li-ion batteries.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗