surface layer state: Topics by Science.gov

Sample records for surface layer state

Optical Tamm states in one-dimensional superconducting photonic crystal

DOE Office of Scientific and Technical Information (OSTI.GOV)

El Abouti, O.; El Boudouti, E. H.; IEMN, UMR-CNRS 8520, UFR de Physique, Université de Lille 1, 59655 Villeneuve d'Ascq

2016-08-15

In this study, we investigate localized and resonant optical waves associated with a semi-infinite superlattice made out of superconductor-dielectric bilayers and terminated with a cap layer. Both transverse electric and transverse magnetic waves are considered. These surface modes are analogous to the so-called Tamm states associated with electronic states found at the surface of materials. The surface guided modes induced by the cap layer strongly depend on whether the superlattice ends with a superconductor or a dielectric layer, the thickness of the surface layer, the temperature of the superconductor layer as well as on the polarization of the waves. Differentmore » kinds of surface modes are found and their properties examined. These structures can be used to realize the highly sensitive photonic crystal sensors.« less
Generation and characterization of surface layers on acoustically levitated drops.

PubMed

Tuckermann, Rudolf; Bauerecker, Sigurd; Cammenga, Heiko K

2007-06-15

Surface layers of natural and technical amphiphiles, e.g., octadecanol, stearic acid and related compounds as well as perfluorinated fatty alcohols (PFA), have been investigated on the surface of acoustically levitated drops. In contrast to Langmuir troughs, traditionally used in the research of surface layers at the air-water interface, acoustic levitation offers the advantages of a minimized and contact-less technique. Although the film pressure cannot be directly adjusted on acoustically levitated drops, it runs through a wide pressure range due to the shrinking surface of an evaporating drop. During this process, different states of the generated surface layer have been identified, in particular the phase transition from the gaseous or liquid-expanded to the liquid-condensed state of surface layers of octadecanol and other related amphiphiles. Characteristic parameters, such as the relative permeation resistance and the area per molecule in a condensed surface layer, have been quantified and were found comparable to results obtained from surface layers generated on Langmuir troughs.
The Acoustic Model Evaluation Committee (AMEC) Reports. Volume 1A. Summary of Range Independent Environment Acoustic Propagation Data Sets

DTIC Science & Technology

1982-09-01

experiment were: isothermal layer depth 36 ft depressed channel axis 66 ft surface water temperature 59.4 F sea state 2 Discussion The propagation loss...experiments were: isothermal layer depths 56 ft surface water temperature 59.7 0F - sea state 1 Discussion The propagation loss measurements are summarized...number of observations 1854 isothermal layer depth 33 ft surface water temperature 59.9°F sea state 2 Discussion The propagation loss measurements
Select strengths and biases of models in representing the Arctic winter boundary layer over sea ice: the Larcform 1 single column model intercomparison

NASA Astrophysics Data System (ADS)

Pithan, Felix; Ackerman, Andrew; Angevine, Wayne M.; Hartung, Kerstin; Ickes, Luisa; Kelley, Maxwell; Medeiros, Brian; Sandu, Irina; Steeneveld, Gert-Jan; Sterk, H. A. M.; Svensson, Gunilla; Vaillancourt, Paul A.; Zadra, Ayrton

2016-09-01

Weather and climate models struggle to represent lower tropospheric temperature and moisture profiles and surface fluxes in Arctic winter, partly because they lack or misrepresent physical processes that are specific to high latitudes. Observations have revealed two preferred states of the Arctic winter boundary layer. In the cloudy state, cloud liquid water limits surface radiative cooling, and temperature inversions are weak and elevated. In the radiatively clear state, strong surface radiative cooling leads to the build-up of surface-based temperature inversions. Many large-scale models lack the cloudy state, and some substantially underestimate inversion strength in the clear state. Here, the transformation from a moist to a cold dry air mass is modeled using an idealized Lagrangian perspective. The trajectory includes both boundary layer states, and the single-column experiment is the first Lagrangian Arctic air formation experiment (Larcform 1) organized within GEWEX GASS (Global atmospheric system studies). The intercomparison reproduces the typical biases of large-scale models: some models lack the cloudy state of the boundary layer due to the representation of mixed-phase microphysics or to the interaction between micro- and macrophysics. In some models, high emissivities of ice clouds or the lack of an insulating snow layer prevent the build-up of surface-based inversions in the radiatively clear state. Models substantially disagree on the amount of cloud liquid water in the cloudy state and on turbulent heat fluxes under clear skies. Observations of air mass transformations including both boundary layer states would allow for a tighter constraint of model behavior.
DOE Office of Scientific and Technical Information (OSTI.GOV)

McNeill, Jason Douglas

Electronic states of a thin layer of material on a surface possess unique physical and chemical properties. Some of these properties arise from the reduced dimensionality of the thin layer with respect to the bulk or the properties of the electric field where two materials of differing dielectric constants meet at an interface. Other properties are related to the nature of the surface chemical bond. Here, the properties of excess electrons in thin layers of Xenon, Krypton, and alkali metals are investigated, and the bound state energies and effective masses of the excess electrons are determined using two-photon photoemission. Formore » Xenon, the dependence of bound state energy, effective mass, and lifetime on layer thickness from one to nine layers is examined. Not all quantities were measured at each coverage. The two photon photoemission spectra of thin layers of Xenon on a Ag(111) substrate exhibit a number of sharp, well-defined peaks. The binding energy of the excess electronic states of Xenon layers exhibited a pronounced dependence on coverage. A discrete energy shift was observed for each additional atomic layer. At low coverage, a series of states resembling a Rydberg series is observed. This series is similar to the image state series observed on clean metal surfaces. Deviations from image state energies can be described in terms of the dielectric constant of the overlayer material and its effect on the image potential. For thicker layers of Xe (beyond the first few atomic layers), the coverage dependence of the features begins to resemble that of quantum well states. Quantum well states are related to bulk band states. However, the finite thickness of the layer restricts the perpendicular wavevector to a discrete set of values. Therefore, the spectrum of quantum well states contains a series of peaks which correspond to the various allowed values of the perpendicular wavevector. Analysis of the quantum well spectrum yields electronic band structure information. In this case, the quantum well states examined are derived from the Xenon conduction band. Measurements of the energies as a function of coverage yield the dispersion along the axis perpendicular to the surface while angle-resolved two-photon photoemission measurements yield information about dispersion along the surface parallel. The relative importance of the image potential and the overlayer band structure also depends on the quantum number and energy of the state. Some members of the image series may have an energy which is in an energy gap of the layer material, therefore such states may tend to remain physically outside the layer and retain much of their image character even at higher coverages. This is the case for the n = 1 image state of the Xe/Ag(111) system. The energies of image states which are excluded from the layer have a complex dependence on the thickness of the layer and its dielectric constant. The population decay kinetics of excited electronic states of the layer were also determined. Lifetimes are reported for the first three excited states for 1-6 atomic layers of Xe on Ag(111). As the image states evolve into quantum well states with increasing coverage, the lifetimes undergo an oscillation which marks a change in the spatial extent of the state. For example, the n = 2 quantum well state decreases substantially at 3-5 layers as the electron probability density in the layer increases. The lifetime data are modeled by extending the two-band nearly-free-electron approximation to account for the insulating Xe layer.« less
Emergence of Metallic Properties at LiFePO4 Surfaces and LiFePO4/Li2S Interfaces: An Ab Initio Study.

PubMed

Timoshevskii, Vladimir; Feng, Zimin; Bevan, Kirk H; Zaghib, Karim

2015-08-26

The atomic and electronic structures of the LiFePO4 (LFP) surface, both bare and reconstructed upon possible oxygenation, are theoretically studied by ab initio methods. On the basis of total energy calculations, the atomic structure of the oxygenated surface is proposed, and the effect of surface reconstruction on the electronic properties of the surface is clarified. While bare LFP(010) surface is insulating, adsorption of oxygen leads to the emergence of semimetallic behavior by inducing the conducting states in the band gap of the system. The physical origin of these conducting states is investigated. We further demonstrate that deposition of Li2S layers on top of oxygenated LFP(010) surface leads to the formation of additional conducting hole states in the first layer of Li2S surface because of the charge transfer from sulfur p-states to the gap states of LFP surface. This demonstrates that oxygenated LFP surface not only provides conducting layers itself, but also induces conducting channels in the top layer of Li2S. These results help to achieve further understanding of potential role of LFP particles in improving the performance of Li-S batteries through emergent interface conductivity.
Antisoiling technology: Theories of surface soiling and performance of antisoiling surface coatings

NASA Technical Reports Server (NTRS)

Cuddihy, E. F.; Willis, P. B.

1984-01-01

Physical examination of surfaces undergoing natural outdoor soiling suggests that soil matter accumulates in up to three distinct layers. The first layer involves strong chemical attachment or strong chemisorption of soil matter on the primary surface. The second layer is physical, consisting of a highly organized arrangement of soil creating a gradation in surface energy from a high associated with the energetic first layer to the lowest possible state on the outer surfce of the second layer. The lowest possible energy state is dictated by the physical nature of the regional atmospheric soiling materials. These first two layers are resistant to removal by rain. The third layer constitutes a settling of loose soil matter, accumulating in dry periods and being removed during rainy periods. Theories and evidence suggest that surfaces that should be naturally resistant to the formation of the first two-resistant layers should be hard, smooth, hydrophobic, free of first-period elements, and have the lowest possible surface energy. These characteristics, evolving as requirements for low-soiling surfaces, suggest that surfaces or surface coatings should be of fluorocarbon chemistry. Evidence for the three-soil-layer concept, and data on the positive performance of candidate fluorocarbon coatings on glass and transparent plastic films after 28 months of outdoor exposure, are presented.
Concentration and saturation effects of tethered polymer chains on adsorbing surfaces

NASA Astrophysics Data System (ADS)

Descas, Radu; Sommer, Jens-Uwe; Blumen, Alexander

2006-12-01

We consider end-grafted chains at an adsorbing surface under good solvent conditions using Monte Carlo simulations and scaling arguments. Grafting of chains allows us to fix the surface concentration and to study a wide range of surface concentrations from the undersaturated state of the surface up to the brushlike regime. The average extension of single chains in the direction parallel and perpendicular to the surface is analyzed using scaling arguments for the two-dimensional semidilute surface state according to Bouchaud and Daoud [J. Phys. (Paris) 48, 1991 (1987)]. We find good agreement with the scaling predictions for the scaling in the direction parallel to the surface and for surface concentrations much below the saturation concentration (dense packing of adsorption blobs). Increasing the grafting density we study the saturation effects and the oversaturation of the adsorption layer. In order to account for the effect of excluded volume on the adsorption free energy we introduce a new scaling variable related with the saturation concentration of the adsorption layer (saturation scaling). We show that the decrease of the single chain order parameter (the fraction of adsorbed monomers on the surface) with increasing concentration, being constant in the ideal semidilute surface state, is properly described by saturation scaling only. Furthermore, the simulation results for the chains' extension from higher surface concentrations up to the oversaturated state support the new scaling approach. The oversaturated state can be understood using a geometrical model which assumes a brushlike layer on top of a saturated adsorption layer. We provide evidence that adsorbed polymer layers are very sensitive to saturation effects, which start to influence the semidilute surface scaling even much below the saturation threshold.
Select strengths and biases of models in representing the Arctic winter boundary layer over sea ice: the Larcform 1 single column model intercomparison

DOE PAGES

Pithan, Felix; Ackerman, Andrew; Angevine, Wayne M.; ...

2016-08-27

We struggle to represent lower tropospheric temperature and moisture profiles and surface fluxes in Artic winter using weather and climate models, partly because they lack or misrepresent physical processes that are specific to high latitudes. Observations have revealed two preferred states of the Arctic winter boundary layer. In the cloudy state, cloud liquid water limits surface radiative cooling, and temperature inversions are weak and elevated. In the radiatively clear state, strong surface radiative cooling leads to the build-up of surface-based temperature inversions. Many large-scale models lack the cloudy state, and some substantially underestimate inversion strength in the clear state. Themore » transformation from a moist to a cold dry air mass is modeled using an idealized Lagrangian perspective. The trajectory includes both boundary layer states, and the single-column experiment is the first Lagrangian Arctic air formation experiment (Larcform 1) organized within GEWEX GASS (Global atmospheric system studies). The intercomparison reproduces the typical biases of large-scale models: some models lack the cloudy state of the boundary layer due to the representation of mixed-phase microphysics or to the interaction between micro- and macrophysics. In some models, high emissivities of ice clouds or the lack of an insulating snow layer prevent the build-up of surface-based inversions in the radiatively clear state. Models substantially disagree on the amount of cloud liquid water in the cloudy state and on turbulent heat fluxes under clear skies. Finally, observations of air mass transformations including both boundary layer states would allow for a tighter constraint of model behavior.« less
Select strengths and biases of models in representing the Arctic winter boundary layer over sea ice: the Larcform 1 single column model intercomparison

PubMed Central

Pithan, Felix; Ackerman, Andrew; Angevine, Wayne M.; Hartung, Kerstin; Ickes, Luisa; Kelley, Maxwell; Medeiros, Brian; Sandu, Irina; Steeneveld, Gert-Jan; Sterk, HAM; Svensson, Gunilla; Vaillancourt, Paul A.; Zadra, Ayrton

2017-01-01

Weather and climate models struggle to represent lower tropospheric temperature and moisture profiles and surface fluxes in Arctic winter, partly because they lack or misrepresent physical processes that are specific to high latitudes. Observations have revealed two preferred states of the Arctic winter boundary layer. In the cloudy state, cloud liquid water limits surface radiative cooling, and temperature inversions are weak and elevated. In the radiatively clear state, strong surface radiative cooling leads to the build-up of surface-based temperature inversions. Many large-scale models lack the cloudy state, and some substantially underestimate inversion strength in the clear state. Here, the transformation from a moist to a cold dry air mass is modelled using an idealized Lagrangian perspective. The trajectory includes both boundary layer states, and the single-column experiment is the first Lagrangian Arctic air formation experiment (Larcform 1) organized within GEWEX GASS (Global atmospheric system studies). The intercomparison reproduces the typical biases of large-scale models: Some models lack the cloudy state of the boundary layer due to the representation of mixed-phase micro-physics or to the interaction between micro-and macrophysics. In some models, high emissivities of ice clouds or the lack of an insulating snow layer prevent the build-up of surface-based inversions in the radiatively clear state. Models substantially disagree on the amount of cloud liquid water in the cloudy state and on turbulent heat fluxes under clear skies. Observations of air mass transformations including both boundary layer states would allow for a tighter constraint of model behaviour. PMID:28966718
Select strengths and biases of models in representing the Arctic winter boundary layer over sea ice: the Larcform 1 single column model intercomparison.

PubMed

Pithan, Felix; Ackerman, Andrew; Angevine, Wayne M; Hartung, Kerstin; Ickes, Luisa; Kelley, Maxwell; Medeiros, Brian; Sandu, Irina; Steeneveld, Gert-Jan; Sterk, Ham; Svensson, Gunilla; Vaillancourt, Paul A; Zadra, Ayrton

2016-09-01

Weather and climate models struggle to represent lower tropospheric temperature and moisture profiles and surface fluxes in Arctic winter, partly because they lack or misrepresent physical processes that are specific to high latitudes. Observations have revealed two preferred states of the Arctic winter boundary layer. In the cloudy state, cloud liquid water limits surface radiative cooling, and temperature inversions are weak and elevated. In the radiatively clear state, strong surface radiative cooling leads to the build-up of surface-based temperature inversions. Many large-scale models lack the cloudy state, and some substantially underestimate inversion strength in the clear state. Here, the transformation from a moist to a cold dry air mass is modelled using an idealized Lagrangian perspective. The trajectory includes both boundary layer states, and the single-column experiment is the first L agrangian Arc tic air form ation experiment (Larcform 1) organized within GEWEX GASS (Global atmospheric system studies). The intercomparison reproduces the typical biases of large-scale models: Some models lack the cloudy state of the boundary layer due to the representation of mixed-phase micro-physics or to the interaction between micro-and macrophysics. In some models, high emissivities of ice clouds or the lack of an insulating snow layer prevent the build-up of surface-based inversions in the radiatively clear state. Models substantially disagree on the amount of cloud liquid water in the cloudy state and on turbulent heat fluxes under clear skies. Observations of air mass transformations including both boundary layer states would allow for a tighter constraint of model behaviour.
Surface nematic order in iron pnictides

NASA Astrophysics Data System (ADS)

Song, Kok Wee; Koshelev, Alexei E.

2016-09-01

Electronic nematicity plays an important role in iron-based superconductors. These materials have a layered structure and the theoretical description of their magnetic and nematic transitions has been well established in the two-dimensional approximation, i.e., when the layers can be treated independently. However, the interaction between iron layers mediated by electron tunneling may cause nontrivial three-dimensional behavior. Starting from the simplest model for orbital nematic in a single layer, we investigate the influence of interlayer tunneling on the bulk nematic order and a possible preemptive state where this order is only formed near the surface. We found that the interlayer tunneling suppresses the bulk nematicity, which makes favorable the formation of a surface nematic order above the bulk transition temperature. The purely electronic tunneling Hamiltonian, however, favors a nematic order parameter that alternates from layer to layer. The uniform bulk state typically observed experimentally may be stabilized by the coupling with the elastic lattice deformation. Depending on the strength of this coupling, we found three regimes: (i) surface nematic and alternating bulk order, (ii) surface nematic and uniform bulk order, and (iii) uniform bulk order without the intermediate surface phase. The intermediate surface-nematic state may resolve the current controversy about the existence of a weak nematic transition in the compound BaFe2As2 -xPx .
Positron states and annihilation characteristics of surface-trapped positrons at the oxidized Cu(110) surface

NASA Astrophysics Data System (ADS)

Fazleev, N. G.; Olenga, Antoine; Weiss, A. H.

2013-03-01

The process by which oxide layers are formed on metal surfaces is still not well understood. In this work we present the results of theoretical studies of positron states and annihilation characteristics of surface-trapped positrons at the oxidized Cu(110) surface. An ab-initio investigation of stability and associated electronic properties of different adsorption phases of oxygen on Cu(110) has been performed on the basis of density functional theory and using DMOl3 code. The changes in the positron work function and the surface dipole moment when oxygen atoms occupy on-surface and sub-surface sites have been attributed to charge redistribution within the first two layers, buckling effects within each layer and interlayer expansion. The computed positron binding energy, positron surface state wave function, and annihilation probabilities of surface trapped positrons with relevant core electrons demonstrate their sensitivity to oxygen coverage, elemental content, atomic structure of the topmost layers of surfaces, and charge transfer effects. Theoretical results are compared with experimental data obtained from studies of oxidized transition metal surfaces using positron annihilation induced Auger electron spectroscopy. This work was supported in part by the National Science Foundation Grant DMR-0907679.
Electronically shielded solid state charged particle detector

DOEpatents

Balmer, D.K.; Haverty, T.W.; Nordin, C.W.; Tyree, W.H.

1996-08-20

An electronically shielded solid state charged particle detector system having enhanced radio frequency interference immunity includes a detector housing with a detector entrance opening for receiving the charged particles. A charged particle detector having an active surface is disposed within the housing. The active surface faces toward the detector entrance opening for providing electrical signals representative of the received charged particles when the received charged particles are applied to the active surface. A conductive layer is disposed upon the active surface. In a preferred embodiment, a nonconductive layer is disposed between the conductive layer and the active surface. The conductive layer is electrically coupled to the detector housing to provide a substantially continuous conductive electrical shield surrounding the active surface. The inner surface of the detector housing is supplemented with a radio frequency absorbing material such as ferrite. 1 fig.
Electronically shielded solid state charged particle detector

DOEpatents

Balmer, David K.; Haverty, Thomas W.; Nordin, Carl W.; Tyree, William H.

1996-08-20

An electronically shielded solid state charged particle detector system having enhanced radio frequency interference immunity includes a detector housing with a detector entrance opening for receiving the charged particles. A charged particle detector having an active surface is disposed within the housing. The active surface faces toward the detector entrance opening for providing electrical signals representative of the received charged particles when the received charged particles are applied to the active surface. A conductive layer is disposed upon the active surface. In a preferred embodiment, a nonconductive layer is disposed between the conductive layer and the active surface. The conductive layer is electrically coupled to the detector housing to provide a substantially continuous conductive electrical shield surrounding the active surface. The inner surface of the detector housing is supplemented with a radio frequency absorbing material such as ferrite.
Chemical Composition of Surfaces of Polycrystalline Silver Held in Water Vapor

NASA Astrophysics Data System (ADS)

Ashkhotov, O. G.; Khubezhov, S. A.; Aleroev, M. A.; Grigorkina, G. S.; Ashkhotova, I. B.; Magkoev, T. T.; Bliev, A. P.; Ramonova, A. G.; Kibizov, D. D.

2018-01-01

The chemical composition of surfaces and near-surface layers of massive polycrystalline silver held in water vapor for 2 h at 1073 K is studied via Auger and X-ray photoelectron spectroscopy. It is shown that the oxygen on a surface is in the molecular state. In near-surface layers at depths of up to 8 nm, it is predominantly in the atomic state typical of chemisorbed Ag2O.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Song, Kok Wee; Koshelev, Alexei E.

Electronic nematicity plays an important role in iron-based superconductors. These materials have a layered structure and the theoretical description of their magnetic and nematic transitions has been well established in the two-dimensional approximation, i.e., when the layers can be treated independently. However, the interaction between iron layers mediated by electron tunneling may cause nontrivial three-dimensional behavior. Starting from the simplest model for orbital nematic in a single layer, we investigate the influence of interlayer tunneling on the bulk nematic order and a possible preemptive state where this order is only formed near the surface. In addition, we found that themore » interlayer tunneling suppresses the bulk nematicity, which makes favorable the formation of a surface nematic order above the bulk transition temperature. The purely electronic tunneling Hamiltonian, however, favors a nematic order parameter that alternates from layer to layer. The uniform bulk state typically observed experimentally may be stabilized by the coupling with the elastic lattice deformation. Depending on the strength of this coupling, we found three regimes: (i) surface nematic and alternating bulk order, (ii) surface nematic and uniform bulk order, and (iii) uniform bulk order without the intermediate surface phase. Lastly, the intermediate surface-nematic state may resolve the current controversy about the existence of a weak nematic transition in the compound BaFe 2As 2-xP x .« less
Surface nematic order in iron pnictides

DOE PAGES

Song, Kok Wee; Koshelev, Alexei E.

2016-09-09

Electronic nematicity plays an important role in iron-based superconductors. These materials have a layered structure and the theoretical description of their magnetic and nematic transitions has been well established in the two-dimensional approximation, i.e., when the layers can be treated independently. However, the interaction between iron layers mediated by electron tunneling may cause nontrivial three-dimensional behavior. Starting from the simplest model for orbital nematic in a single layer, we investigate the influence of interlayer tunneling on the bulk nematic order and a possible preemptive state where this order is only formed near the surface. In addition, we found that themore » interlayer tunneling suppresses the bulk nematicity, which makes favorable the formation of a surface nematic order above the bulk transition temperature. The purely electronic tunneling Hamiltonian, however, favors a nematic order parameter that alternates from layer to layer. The uniform bulk state typically observed experimentally may be stabilized by the coupling with the elastic lattice deformation. Depending on the strength of this coupling, we found three regimes: (i) surface nematic and alternating bulk order, (ii) surface nematic and uniform bulk order, and (iii) uniform bulk order without the intermediate surface phase. Lastly, the intermediate surface-nematic state may resolve the current controversy about the existence of a weak nematic transition in the compound BaFe 2As 2-xP x .« less
Electronic properties of Al xGa 1- xAs surface passivated by ultrathin silicon interface control layer

NASA Astrophysics Data System (ADS)

Adamowicz, B.; Miczek, M.; Ikeya, K.; Mutoh, M.; Saitoh, T.; Fujikura, H.; Hasegawa, H.

1999-03-01

The photoluminescence surface state spectroscopy (PLS 3) method was applied to a study of the surface state distribution ( NSS), effective surface recombination velocity ( Seff), electron ( EFn) and hole ( EFp) quasi-Fermi levels and band bending ( VS) on the Al 0.33Ga 0.67As surface air-exposed and passivated by the Si interface control layer (ICL) technique. Using the detailed measurements of the PL quantum efficiency for different excitation intensities, combined with the rigorous computer simulations of the bulk and surface recombination processes, the behavior and correlation among the surface characteristics under photo-excitation was determined. The present analysis indicated that forming of a Si 3N 4/Si ICL double layer (with a monolayer level control) on AlGaAs surface reduces the minimum interface state density down to 10 10 cm -2 eV -1 and surface recombination velocity to the range of 10 4 cm/s under low excitations.
Effect of the External Lubrication Method for a Rotary Tablet Press on the Adhesion of the Film Coating Layer.

PubMed

Kondo, Hisami; Toyota, Hiroyasu; Kamiya, Takayuki; Yamashita, Kazunari; Hakomori, Tadashi; Imoto, Junko; Kimura, Shin-Ichiro; Iwao, Yasunori; Itai, Shigeru

2017-01-01

External lubrication is a useful method which reduces the adhesion of powder to punches and dies by spraying lubricants during the tableting process. However, no information is available on whether the tablets prepared using an external lubrication system can be applicable for a film coating process. In this study, we evaluated the adhesion force of the film coating layer to the surface of tablets prepared using an external lubrication method, compared with those prepared using internal lubrication method. We also evaluated wettability, roughness and lubricant distribution state on the tablet surface before film coating, and investigated the relationship between peeling of the film coating layer and these tablet surface properties. Increasing lubrication through the external lubrication method decreased wettability of the tablet surface. However, no change was observed in the adhesion force of the film coating layer. On the other hand, increasing lubrication through the internal lubrication method, decreased both wettability of the tablet surface and the adhesion force of the film coating layer. The magnesium stearate distribution state on the tablet surface was assessed using an X-ray fluorescent analyzer and lubricant agglomerates were observed in the case of the internal lubrication method. However, the lubricant was uniformly dispersed in the external lubrication samples. These results indicate that the distribution state of the lubricant affects the adhesion force of the film coating layer, and external lubrication maintained sufficient lubricity and adhesion force of the film coating layer with a small amount of lubricant.

Mechanical Properties of Degraded PMR-15 Resin

NASA Technical Reports Server (NTRS)

Tsuji, Luis C.; McManus, Hugh L.; Bowles, Kenneth J.

1998-01-01

Thermo-oxidative aging produces a non-uniform degradation state in PMR-15 resin. A surface layer, usually attributed to oxidative degradation, forms. This surface layer has different properties from the inner material. A set of material tests was designed to separate the properties of the oxidized surface layer from the properties of interior material. Test specimens were aged at 316 C in either air or nitrogen, for durations of up to 800 hours. The thickness of the oxidized surface layer in air aged specimens, and the shrinkage and Coefficient of Thermal Expansion (CTE) of nitrogen aged specimens were measured directly. Four-point-bend tests were performed to determine modulus of both the oxidized surface layer and the interior material. Bimaterial strip specimens consisting of oxidized surface material and unoxidized interior material were constructed and used to determine surface layer shrinkage and CTE. Results confirm that the surface layer and core materials have substantially different properties.
ELLIPSOMETRY OF ELECTROCHEMICAL SURFACE LAYERS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Muller, R.H.

1977-06-01

Ellipsometry is concerned with the analysis and interpretation of changes in the state of polarization caused by reflection. The technique has found increasing interest in recent years for the measurement of thin films because it is unusually sensitive, disturbs the object minimally and can be applied to surfaces contained in any optically transparent medium. Film thicknesses amenable to measurement range from fractional monoatomic coverage to microscopic thicknesses. The measurement of changes in the state of polarization of light due to reflection provides an unusually sensitive tool for observing surface layers in any optically transparent environment. A fast, self-compensating ellipsometer hasmore » been used to observe the electrochemical formation of reacted surface layers. The optical effect of mass-transport boundary layers and component imperfections have been taken into account in the interpretation of results.« less
Passivation of surface states of α-Fe2O3(0001) surface by deposition of Ga2O3 overlayers: A density functional theory study.

PubMed

Ulman, Kanchan; Nguyen, Manh-Thuong; Seriani, Nicola; Gebauer, Ralph

2016-03-07

There is a big debate in the community regarding the role of surface states of hematite in the photoelectrochemical water splitting. Experimental studies on non-catalytic overlayers passivating the hematite surface states claim a favorable reduction in the overpotential for the water splitting reaction. As a first step towards understanding the effect of these overlayers, we have studied the system Ga2O3 overlayers on hematite (0001) surfaces using first principles computations in the PBE+U framework. Our computations suggest that stoichiometric terminations of Ga2O3 overlayers are energetically more favored than the bare surface, at ambient oxygen chemical potentials. Energetics suggest that the overlayers prefer to grow via a layer-plus-island (Stranski-Krastanov) growth mode with a critical layer thickness of 1-2 layers. Thus, a complete wetting of the hematite surface by an overlayer of gallium oxide is thermodynamically favored. We establish that the effect of deposition of the Ga2O3 overlayers on the bare hematite surface is to passivate the surface states for the stoichiometric termination. For the oxygen terminated surface which is the most stable termination under photoelectrochemical conditions, the effect of deposition of the Ga2O3 overlayer is to passivate the hole-trapping surface state.
Tuning the magnetism of the top-layer FeAs on BaFe2As2 (001): First-principles study

NASA Astrophysics Data System (ADS)

Zhang, Bing-Jing; Liu, Kai; Lu, Zhong-Yi

2018-04-01

Magnetism may play an important role in inducing the superconductivity in iron-based superconductors. As a prototypical system, the surface of BaFe2As2 provides a good platform for studying related magnetic properties. We have designed systematic first-principles calculations to clarify the surface magnetism of BaFe2As2 (001), which previously has received little attention in comparison with surface structures and electronic states. We find that the surface environment has an important influence on the magnetic properties of the top-layer FeAs. For As-terminated surfaces, the magnetic ground state of the top-layer FeAs is in the staggered dimer antiferromagnetic (AFM) order, distinct from that of the bulk, while for Ba-terminated surfaces the collinear (single-stripe) AFM order is the most stable, the same as that in the bulk. When a certain coverage of Ba or K atoms is deposited onto the As-terminated surface, the calculated energy differences among different AFM orders for the top-layer FeAs on BaFe2As2 (001) can be much reduced, indicating enhanced spin fluctuations. To compare our results with available scanning tunneling microscopy (STM) measurements, we have simulated the STM images of several structural/magnetic terminations. Astonishingly, when the top-layer FeAs is in the staggered dimer AFM order, a stripe pattern appears in the simulated STM image even when the surface Ba atoms adopt a √{2 }×√{2 } structure, while a √{2 }×√{2 } square pattern comes out for the 1 ×1 full As termination. Our results suggest: (i) the magnetic state at the BaFe2As2 (001) surface can be quite different from that in the bulk; (ii) the magnetic properties of the top-layer FeAs can be tuned effectively by surface doping, which may likely induce superconductivity at the surface layer; (iii) both the surface termination and the AFM order in the top-layer FeAs can affect the STM image of BaFe2As2 (001), which needs to be taken into account when identifying the surface termination.
Design high water clearances for highway pavements : [executive summary].

DOT National Transportation Integrated Search

2008-01-01

The majority of state roads in Florida are built using asphalt concrete surfaces. They are constructed in layers. The bottom layer consists of the native soil. The top layer is the surface course, or pavement. It is built upon one or more intermediat...
Direct charge carrier injection into Ga2O3 thin films using an In2O3 cathode buffer layer: their optical, electrical and surface state properties

NASA Astrophysics Data System (ADS)

Cui, W.; Zhao, X. L.; An, Y. H.; Guo, D. Y.; Qing, X. Y.; Wu, Z. P.; Li, P. G.; Li, L. H.; Cui, C.; Tang, W. H.

2017-04-01

Conductive Ga2O3 thin films with an In2O3 buffer layer have been prepared on c-plane sapphire substrates using a laser molecular beam epitaxy technique. The effects of the In2O3 buffer layer on the structure and optical, electrical and surface state properties of the Ga2O3 films have been studied. The change in conductivity of the thin films is attributed to different thicknesses of the In2O3 buffer layer, which determine the concentration of charge carriers injected into the upper Ga2O3 layer from the interface of the bilayer thin films. In addition, the increase in flat band voltage shift and capacitance values as the In2O3 buffer layer thickens are attributed to the increase in surface state density, which also contributes to the rapid shrinkage of the optical band gap of the Ga2O3. With transparency to visible light, high n-type conduction and the ability to tune the optical band gap and surface state density, we propose that Ga2O3/In2O3 bilayer thin film is an ideal n-type semiconductor for fabrication of transparent power devices, solar cell electrodes and gas sensors.
An equilibrium model for the coupled ocean-atmosphere boundary layer in the tropics

NASA Technical Reports Server (NTRS)

Sui, C.-H.; Lau, K.-M.; Betts, Alan K.

1991-01-01

An atmospheric convective boundary layer (CBL) model is coupled to an ocean mixed-layer (OML) model in order to study the equilibrium state of the coupled system in the tropics, particularly in the Pacific region. The equilibrium state of the coupled system is solved as a function of sea-surface temperature (SST) for a given surface wind and as a function of surface wind for a given SST. It is noted that in both cases, the depth of the CBL and OML increases and the upwelling below the OML decreases, corresponding to either increasing SST or increasing surface wind. The coupled ocean-atmosphere model is solved iteratively as a function of surface wind for a fixed upwelling and a fixed OML depth, and it is observed that SST falls with increasing wind in both cases. Realistic gradients of mixed-layer depth and upwelling are observed in experiments with surface wind and SST prescribed as a function of longitude.
Mechanical Properties of Degraded PMR-15 Resin

NASA Technical Reports Server (NTRS)

Tsuji, Luis C.

2000-01-01

Thermo-oxidative aging produces a nonuniform degradation state in PMR-15 resin. A surface layer, usually attributed to oxidative degradation, forms. This surface layer has different properties from the inner material. A set of material tests was designed to separate the properties of the oxidized surface layer from the properties of interior material. Test specimens were aged at 316 C in either air or nitrogen, for durations of up to 800 hr. The thickness of the oxidized surface layer in air aged specimens, and the shrinkage and coefficient of thermal expansion (CTE) of nitrogen aged specimens were measured directly. The nitrogen-aged specimens were assumed to have the same properties as the interior material in the air-aged specimens. Four-point-bend tests were performed to determine modulus of both the oxidized surface layer and the interior material. Bimaterial strip specimens consisting of oxidized surface material and unoxidized interior material were constructed and used to determine surface layer shrinkage and CTE. Results confirm that the surface layer and core materials have substantially different properties.
The Surface Structure of Ground Metal Crystals

NASA Technical Reports Server (NTRS)

Boas, W.; Schmid, E.

1944-01-01

The changes produced on metallic surfaces as a result of grinding and polishing are not as yet fully understood. Undoubtedly there is some more or less marked change in the crystal structure, at least, in the top layer. Hereby a diffusion of separated crystal particles may be involved, or, on plastic material, the formation of a layer in greatly deformed state, with possible recrystallization in certain conditions. Czochralski verified the existence of such a layer on tin micro-sections by successive observations of the texture after repeated etching; while Thomassen established, roentgenographically by means of the Debye-Scherrer method, the existence of diffused crystal fractions on the surface of ground and polished tin bars, which he had already observed after turning (on the lathe). (Thickness of this layer - 0.07 mm). Whether this layer borders direct on the undamaged base material or whether deformed intermediate layers form the transition, nothing is known. One observation ty Sachs and Shoji simply states that after the turning of an alpha-brass crystal the disturbance starting from the surface, penetrates fairly deep (approx. 1 mm) into the crystal (proof by recrystallization at 750 C).
Photoluminescence and capacitance voltage characterization of GaAs surface passivated by an ultrathin GaN interface control layer

NASA Astrophysics Data System (ADS)

Anantathanasarn, Sanguan; Hasegawa, Hideki

2002-05-01

A novel surface passivation technique for GaAs using an ultrathin GaN interface control layer (GaN ICL) formed by surface nitridation was characterized by ultrahigh vacuum (UHV) photoluminescence (PL) and capacitance-voltage ( C- V) measurements. The PL quantum efficiency was dramatically enhanced after being passivated by the GaN ICL structure, reaching as high as 30 times of the initial clean GaAs surface. Further analysis of PL data was done by the PL surface state spectroscopy (PLS 3) simulation technique. PL and C- V results are in good agreement indicating that ultrathin GaN ICL reduces the gap states and unpins the Fermi level, realizing a wide movement of Fermi level within the midgap region and reduction of the effective surface recombination velocity by a factor of 1/60. GaN layer also introduced a large negative surface fixed charge of about 10 12 cm -2. A further improvement took place by depositing a Si 3N 4 layer on GaN ICL/GaAs structure.
Inversion layer solar cell fabrication and evaluation

NASA Technical Reports Server (NTRS)

Call, R. L.

1972-01-01

Silicon solar cells with induced junctions were created by forming an inversion layer near the surface of the silicon by supplying a sheet of positive charge above the surface. This charged layer was supplied through three mechanisms: (1) supplying a positive potential to a transparent electrode separated from the silicon surface by a dielectric, (2) contaminating the oxide layer with positive ions, and (3) forming donor surface states that leave a positive charge on the surface. A movable semi-infinite shadow delineated the extent of sensitivity of the cell due to the inversion region. Measurements of the inversion layer cell response to light of different wavelengths indicated it to be more sensitive to the shorter wavelengths of the sun's spectrum than conventional cells. Theory of the conductance of the inversion layer vs. strength of the inversion layer was compared with experiment and found to match. Theoretical determinations of junction depth and inversion layer strength were made as a function of the surface potential for the transparent electrode cell.
Evidence of circular Rydberg states in beam-foil experiments: Role of the surface wake field

NASA Astrophysics Data System (ADS)

Sharma, Gaurav; Puri, Nitin K.; Kumar, Pravin; Nandi, T.

2017-12-01

We have employed the concept of the surface wake field to model the formation of the circular Rydberg states in the beam-foil experiments. The experimental studies of atomic excitation processes show the formation of circular Rydberg states either in the bulk of the foil or at the exit surface, and the mechanism is explained by several controversial theories. The present model is based on the interesting fact that the charge state fraction as well as the surface wake field depend on the foil thickness and it resolves a long-standing discrepancy on the mechanism of the formation of circular Rydberg states. The influence of exit layers is twofold. Initially, the high angular momentum Rydberg states are produced in the last layers of the foil by the Stark switching due to the bulk wake field and finally, they are transferred to the circular Rydberg states as a single multiphoton process due to the influence of the surface wake field.
Synergistic Effect of Superhydrophobicity and Oxidized Layers on Corrosion Resistance of Aluminum Alloy Surface Textured by Nanosecond Laser Treatment.

PubMed

Boinovich, Ludmila B; Emelyanenko, Alexandre M; Modestov, Alexander D; Domantovsky, Alexandr G; Emelyanenko, Kirill A

2015-09-02

We report a new efficient method for fabricating a superhydrophobic oxidized surface of aluminum alloys with enhanced resistance to pitting corrosion in sodium chloride solutions. The developed coatings are considered very prospective materials for the automotive industry, shipbuilding, aviation, construction, and medicine. The method is based on nanosecond laser treatment of the surface followed by chemisorption of a hydrophobic agent to achieve the superhydrophobic state of the alloy surface. We have shown that the surface texturing used to fabricate multimodal roughness of the surface may be simultaneously used for modifying the physicochemical properties of the thick surface layer of the substrate itself. Electrochemical and wetting experiments demonstrated that the superhydrophobic state of the metal surface inhibits corrosion processes in chloride solutions for a few days. However, during long-term contact of a superhydrophobic coating with a solution, the wetted area of the coating is subjected to corrosion processes due to the formation of defects. In contrast, the combination of an oxide layer with good barrier properties and the superhydrophobic state of the coating provides remarkable corrosion resistance. The mechanisms for enhancing corrosion protective properties are discussed.
Microstructure, tribological and strength properties of the surface layer in metal-ceramic composite nano-structured by electron irradiation

NASA Astrophysics Data System (ADS)

Ovcharenko, V. E.; Ivanov, K. V.; Mokhovikov, A. A.

2017-12-01

Exemplified by metal-ceramic composite TiC-(Ni-Cr) with the ratio of components 50:50, the paper presents findings of the study on patterns of nanoscale structural-phase state formation in the surface layer of the composite under pulsed electron irradiation in inert gas plasmas with different ionization energies and atomic weights and their influence on tribological and strength properties of the surface layer.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Neiman, Aleksei A., E-mail: nasa@ispms.tsc.ru; Lotkov, Aleksandr I.; Gudimova, Ekaterina Y.

The paper reports on a study of regularities of formation gradient nano-, submicron and microstructural conditions in the surface layers of the samples after pulsed electron-beam melting of tantalum coating on the substrate NiTi alloy. Experimentally revealed the presence of submicron columnar structure in the upper layers of the tantalum coating. After irradiation modified NiTi surface takes on a layered structure in which each layer differs in phase composition and structural phase state.
Assessment of surface turbulent fluxes using geostationary satellite surface skin temperatures and a mixed layer planetary boundary layer scheme

NASA Technical Reports Server (NTRS)

Diak, George R.; Stewart, Tod R.

1989-01-01

A method is presented for evaluating the fluxes of sensible and latent heating at the land surface, using satellite-measured surface temperature changes in a composite surface layer-mixed layer representation of the planetary boundary layer. The basic prognostic model is tested by comparison with synoptic station information at sites where surface evaporation climatology is well known. The remote sensing version of the model, using satellite-measured surface temperature changes, is then used to quantify the sharp spatial gradient in surface heating/evaporation across the central United States. An error analysis indicates that perhaps five levels of evaporation are recognizable by these methods and that the chief cause of error is the interaction of errors in the measurement of surface temperature change with errors in the assigment of surface roughness character. Finally, two new potential methods for remote sensing of the land-surface energy balance are suggested which will relay on space-borne instrumentation planned for the 1990s.
Experimentally demonstrate the surface state and optical topological phase transition of one dimensional hyperbolic metamaterials in Otto and KR configuration (Conference Presentation)

NASA Astrophysics Data System (ADS)

Wei, Chih Chung; Un, Leng-Wai; Yen, Ta-Jen

2017-05-01

One-dimension hyperbolic metamaterials (1DHMMs) possess marvelous and considerable applications: hyperlens, spontaneous emission engineering and nonlinear optics. Conventionally, effective medium theory, which is only valid for long wavelength limit, was used to predict and analyze the optical properties and applications. In our previous works, we considered a binary 1DHMM which consists of alternative metallic and dielectric layers, and rigorously demonstrated the existence of surface states and bulk-interface correspondence with the plasmonic band theory from the coupled surface plasmon point of view. In the plasmonic band structure, we can classify 1DHMMs into two classes: metallic-like and dielectric-like, depending on the formation of the surface states with dielectric and metallic material, respectively. Band crossing exists only when the dielectric layers are thicker than the metallic ones, which is independent from the dielectric constants. Furthermore, the 1DHMMs are all metallic-like without band crossing. On the other hand, the 1DHMMs with band crossing are metal-like before the band crossing point, while they are dielectric-like after the band crossing point. In this work, we measure the surface states formed by dielectric material and 1DHMMs with band crossing in Otto configuration. With white light source and fixed incident angle, we measure the reflectance to investigate the existence of the surface states of 1DHMMs with various thickness ratio of metallic to dielectric layers. Conclusively, our results show that the surface states of 1DHMMs exist only when the thickness ratio is larger than 0.15. The disappearance of the surface states indicates the topological phase transition of 1DHMMs. Our experimental results will benefit new applications for manipulating light on the surface of hyperbolic metamaterials.
What's on the Surface? Physics and Chemistry of Delta-Doped Surfaces

NASA Technical Reports Server (NTRS)

Hoenk, Michael

2011-01-01

Outline of presentation: 1. Detector surfaces and the problem of stability 2. Delta-doped detectors 3. Physics of Delta-doped Silicon 4. Chemistry of the Si-SiO2 Interface 5. Physics and Chemistry of Delta-doped Surfaces a. Compensation b. Inversion c. Quantum exclusion. Conclusions: 1. Quantum confinement of electrons and holes dominates the behavior of delta-doped surfaces. 2. Stability of delta-doped detectors: Delta-layer creates an approx 1 eV tunnel barrier between bulk and surface. 3. At high surface charge densities, Tamm-Shockley states form at the surface. 4. Surface passivation by quantum exclusion: Near-surface delta-layer suppresses T-S trapping of minority carriers. 5. The Si-SiO2 interface compensates the surface 6. For delta-layers at intermediate depth, surface inversion layer forms 7. Density of Si-SiO2 interface charge can be extremely high (>10(exp 14)/sq cm)
Compositions of surface layers formed on amalgams in air, water, and saline.

PubMed

Hanawa, T; Gnade, B E; Ferracane, J L; Okabe, T; Watari, F

1993-12-01

The surface layers formed on both a zinc-free and a zinc-containing dental amalgam after polishing and aging in air, water, or saline, were characterized using x-ray photoelectron spectroscopy (XPS) to determine the compositions of the surface layers which might govern the release of mercury from amalgam. The XPS data revealed that the formation of the surface layer on the zinc-containing amalgam was affected by the environment in which the amalgam was polished and aged, whereas that on the zinc-free amalgam was not affected. In addition, among the elements contained in amalgam, zinc was the most reactive with the environment, and was preferentially dissolved from amalgam into water or saline. Mercury atoms existed in the metallic state in the surface layer.
Surface impedance and optimum surface resistance of a superconductor with an imperfect surface

NASA Astrophysics Data System (ADS)

Gurevich, Alex; Kubo, Takayuki

2017-11-01

We calculate a low-frequency surface impedance of a dirty, s -wave superconductor with an imperfect surface incorporating either a thin layer with a reduced pairing constant or a thin, proximity-coupled normal layer. Such structures model realistic surfaces of superconducting materials which can contain oxide layers, absorbed impurities, or nonstoichiometric composition. We solved the Usadel equations self-consistently and obtained spatial distributions of the order parameter and the quasiparticle density of states which then were used to calculate a low-frequency surface resistance Rs(T ) and the magnetic penetration depth λ (T ) as functions of temperature in the limit of local London electrodynamics. It is shown that the imperfect surface in a single-band s -wave superconductor results in a nonexponential temperature dependence of Z (T ) at T ≪Tc which can mimic the behavior of multiband or d -wave superconductors. The imperfect surface and the broadening of the gap peaks in the quasiparticle density of states N (ɛ ) in the bulk give rise to a weakly temperature-dependent residual surface resistance. We show that the surface resistance can be optimized and even reduced below its value for an ideal surface by engineering N (ɛ ) at the surface using pair-breaking mechanisms, particularly by incorporating a small density of magnetic impurities or by tuning the thickness and conductivity of the normal layer and its contact resistance. The results of this work address the limit of Rs in superconductors at T ≪Tc , and the ways of engineering the optimal density of states by surface nanostructuring and impurities to reduce losses in superconducting microresonators, thin-film strip lines, and radio-frequency cavities for particle accelerators.

Formation of Surface and Quantum-Well States in Ultra Thin Pt Films on the Au(111) Surface

PubMed Central

Silkin, Igor V.; Koroteev, Yury M.; Echenique, Pedro M.; Chulkov, Evgueni V.

2017-01-01

The electronic structure of the Pt/Au(111) heterostructures with a number of Pt monolayers n ranging from one to three is studied in the density-functional-theory framework. The calculations demonstrate that the deposition of the Pt atomic thin films on gold substrate results in strong modifications of the electronic structure at the surface. In particular, the Au(111) s-p-type Shockley surface state becomes completely unoccupied at deposition of any number of Pt monolayers. The Pt adlayer generates numerous quantum-well states in various energy gaps of Au(111) with strong spatial confinement at the surface. As a result, strong enhancement in the local density of state at the surface Pt atomic layer in comparison with clean Pt surface is obtained. The excess in the density of states has maximal magnitude in the case of one monolayer Pt adlayer and gradually reduces with increasing number of Pt atomic layers. The spin–orbit coupling produces strong modification of the energy dispersion of the electronic states generated by the Pt adlayer and gives rise to certain quantum states with a characteristic Dirac-cone shape. PMID:29232833
Studying urban land-atmospheric interactions by coupling an urban canopy model with a single column atmospheric models

NASA Astrophysics Data System (ADS)

Song, J.; Wang, Z.

2013-12-01

Studying urban land-atmospheric interactions by coupling an urban canopy model with a single column atmospheric models Jiyun Song and Zhi-Hua Wang School of Sustainable Engineering and the Built Environment, Arizona State University, PO Box 875306, Tempe, AZ 85287-5306 Landuse landcover changes in urban area will modify surface energy budgets, turbulent fluxes as well as dynamic and thermodynamic structures of the overlying atmospheric boundary layer (ABL). In order to study urban land-atmospheric interactions, we coupled a single column atmospheric model (SCM) to a cutting-edge single layer urban canopy model (SLUCM). Modification of surface parameters such as the fraction of vegetation and engineered pavements, thermal properties of building and pavement materials, and geometrical features of street canyon, etc. in SLUCM dictates the evolution of surface balance of energy, water and momentum. The land surface states then provide lower boundary conditions to the overlying atmosphere, which in turn modulates the modification of ABL structure as well as vertical profiles of temperature, humidity, wind speed and tracer gases. The coupled SLUCM-SCM model is tested against field measurements of surface layer fluxes as well as profiles of temperature and humidity in the mixed layer under convective conditions. After model test, SLUCM-SCM is used to simulate the effect of changing urban land surface conditions on the evolution of ABL structure and dynamics. Simulation results show that despite the prescribed atmospheric forcing, land surface states impose significant impact on the physics of the overlying vertical atmospheric layer. Overall, this numerical framework provides a useful standalone modeling tool to assess the impacts of urban land surface conditions on the local hydrometeorology through land-atmospheric interactions. It also has potentially far-reaching implications to urban ecohydrological services for cities under future expansion and climate challenges.
Effect of the Chemical State of the Surface on the Relaxation of the Surface Shell Atoms in SiC and GaN Nanocrystals

NASA Technical Reports Server (NTRS)

Palosz, B.; Grzanka, E.; Stelmakh, S.; Pielaszek, R.; Bismayer, U.; Weber, H. P.; Janik, J. F.; Palosz, W.; Curreri, Peter A. (Technical Monitor)

2002-01-01

The effect of the chemical state of the surface of nanoparticles on the relaxation in the near-surface layer was examined using the concept of the apparent lattice parameter (alp) determined for different diffraction vectors Q. The apparent lattice parameter is a lattice parameter determined either from an individual Bragg reflection, or from a selected region of the diffraction pattern. At low diffraction vectors the Bragg peak positions are affected mainly by the structure of the near-surface layer, while at high Q-values only the interior of the nano-grain contributes to the diffraction pattern. Following the measurements on raw (as prepared) powders we investigated powders cleaned by annealing at 400C under vacuum, and the same powders wetted with water. Theoretical alp-Q plots showed that the structure of the surface layer depends on the sample treatment. Semi-quantitative analysis based on the comparison of the experimental and theoretical alp-Q plots was performed. Theoretical alp-Q relations were obtained from the diffraction patterns calculated for models of nanocrystals with a strained surface layer using the Debye functions.
2D layered transport properties from topological insulator Bi2Se3 single crystals and micro flakes

PubMed Central

Chiatti, Olivio; Riha, Christian; Lawrenz, Dominic; Busch, Marco; Dusari, Srujana; Sánchez-Barriga, Jaime; Mogilatenko, Anna; Yashina, Lada V.; Valencia, Sergio; Ünal, Akin A.; Rader, Oliver; Fischer, Saskia F.

2016-01-01

Low-field magnetotransport measurements of topological insulators such as Bi2Se3 are important for revealing the nature of topological surface states by quantum corrections to the conductivity, such as weak-antilocalization. Recently, a rich variety of high-field magnetotransport properties in the regime of high electron densities (∼1019 cm−3) were reported, which can be related to additional two-dimensional layered conductivity, hampering the identification of the topological surface states. Here, we report that quantum corrections to the electronic conduction are dominated by the surface states for a semiconducting case, which can be analyzed by the Hikami-Larkin-Nagaoka model for two coupled surfaces in the case of strong spin-orbit interaction. However, in the metallic-like case this analysis fails and additional two-dimensional contributions need to be accounted for. Shubnikov-de Haas oscillations and quantized Hall resistance prove as strong indications for the two-dimensional layered metallic behavior. Temperature-dependent magnetotransport properties of high-quality Bi2Se3 single crystalline exfoliated macro and micro flakes are combined with high resolution transmission electron microscopy and energy-dispersive x-ray spectroscopy, confirming the structure and stoichiometry. Angle-resolved photoemission spectroscopy proves a single-Dirac-cone surface state and a well-defined bulk band gap in topological insulating state. Spatially resolved core-level photoelectron microscopy demonstrates the surface stability. PMID:27270569
Large-eddy simulations of a Salt Lake Valley cold-air pool

NASA Astrophysics Data System (ADS)

Crosman, Erik T.; Horel, John D.

2017-09-01

Persistent cold-air pools are often poorly forecast by mesoscale numerical weather prediction models, in part due to inadequate parameterization of planetary boundary-layer physics in stable atmospheric conditions, and also because of errors in the initialization and treatment of the model surface state. In this study, an improved numerical simulation of the 27-30 January 2011 cold-air pool in Utah's Great Salt Lake Basin is obtained using a large-eddy simulation with more realistic surface state characterization. Compared to a Weather Research and Forecasting model configuration run as a mesoscale model with a planetary boundary-layer scheme where turbulence is highly parameterized, the large-eddy simulation more accurately captured turbulent interactions between the stable boundary-layer and flow aloft. The simulations were also found to be sensitive to variations in the Great Salt Lake temperature and Salt Lake Valley snow cover, illustrating the importance of land surface state in modelling cold-air pools.
Inversion layer solar cell fabrication and evaluation. [measurement of response of inversion layer solar cell to light of different wavelengths

NASA Technical Reports Server (NTRS)

Call, R. L.

1973-01-01

Silicon solar cells operating with induced junctions rather than diffused junctions have been fabricated and tested. Induced junctions were created by forming an inversion layer near the surface of the silicon by supplying a sheet of positive charge above the surface. This charged layer was supplied through three mechanisms: (1) applying a positive potential to a transparent electrode separated from the silicon surface by a dielectric, (2) contaminating the oxide layer with positive ions, and (3) forming donor surface states that leave a positive charge on the surface. A movable semi-infinite shadow delineated the extent of sensitivity of the cell due to the inversion region. Measurements of the response of the inversion layer cell to light of different wavelengths indicated it to be more sensitive to the shorter wavelengths of the sun's spectrum than conventional cells. The greater sensitivity occurs because of the shallow junction and the strong electric field at the surface.
Surface states and annihilation characteristics of positrons trapped at the oxidized Cu(100) surface

NASA Astrophysics Data System (ADS)

Fazleev, N. G.; Weiss, A. H.

2013-06-01

In this work we present the results of theoretical studies of positron surface and bulk states and annihilation probabilities of surface-trapped positrons with relevant core electrons at the oxidized Cu(100) surface under conditions of high oxygen coverage. Oxidation of the Cu(100) surface has been studied by performing an ab-initio investigation of the stability and electronic structure of the Cu(100) missing row reconstructed surface at various on-surface and subsurface oxygen coverages ranging from 0.5 to 1.5 monolayers using density functional theory (DFT). All studied structures have been found to be energetically more favorable as compared to structures formed by purely on-surface oxygen adsorption. The observed decrease in the positron work function when oxygen atoms occupy on-surface and subsurface sites has been attributed to a significant charge redistribution within the first two layers, buckling effects within each layer and an interlayer expansion. The computed positron binding energy, positron surface state wave function, and annihilation probabilities of the surface trapped positrons with relevant core electrons demonstrate their sensitivity to oxygen coverage, atomic structure of the topmost layers of surfaces, and charge transfer effects. Theoretical results are compared with experimental data obtained from studies of oxidation of the Cu(100) surface using positron annihilation induced Auger electron spectroscopy (PAES). The results presented provide an explanation for the changes observed in the probability of annihilation of surface trapped positrons with Cu 3p core-level electrons as a function of annealing temperature.
Thermodynamics of manganese oxides: Sodium, potassium, and calcium birnessite and cryptomelane

PubMed Central

Birkner, Nancy; Navrotsky, Alexandra

2017-01-01

Manganese oxides with layer and tunnel structures occur widely in nature and inspire technological applications. Having variable compositions, these structures often are found as small particles (nanophases). This study explores, using experimental thermochemistry, the role of composition, oxidation state, structure, and surface energy in the their thermodynamic stability. The measured surface energies of cryptomelane, sodium birnessite, potassium birnessite and calcium birnessite are all significantly lower than those of binary manganese oxides (Mn3O4, Mn2O3, and MnO2), consistent with added stabilization of the layer and tunnel structures at the nanoscale. Surface energies generally decrease with decreasing average manganese oxidation state. A stabilizing enthalpy contribution arises from increasing counter-cation content. The formation of cryptomelane from birnessite in contact with aqueous solution is favored by the removal of ions from the layered phase. At large surface area, surface-energy differences make cryptomelane formation thermodynamically less favorable than birnessite formation. In contrast, at small to moderate surface areas, bulk thermodynamics and the energetics of the aqueous phase drive cryptomelane formation from birnessite, perhaps aided by oxidation-state differences. Transformation among birnessite phases of increasing surface area favors compositions with lower surface energy. These quantitative thermodynamic findings explain and support qualitative observations of phase-transformation patterns gathered from natural and synthetic manganese oxides. PMID:28130549
De-bonding of hot mix asphalt pavements in Washington State : an initial investigation.

DOT National Transportation Integrated Search

2008-11-01

Recent evidence in Washington State indicates that de-bonding of HMA surface layers may become a significant : problem. De-bonding describes a condition where adjacent layers of HMA lose adhesion to one another and can : become separated. Typic...
Effect of inversion layer at iron pyrite surface on photovoltaic device

NASA Astrophysics Data System (ADS)

Uchiyama, Shunsuke; Ishikawa, Yasuaki; Uraoka, Yukiharu

2018-03-01

Iron pyrite has great potential as a thin-film solar cell material because it has high optical absorption, low cost, and is earth-abundant. However, previously reported iron pyrite solar cells showed poor photovoltaic characteristics. Here, we have numerically simulated its photovoltaic characteristics and band structures by utilizing a two-dimensional (2D) device simulator, ATLAS, to evaluate the effects of an inversion layer at the surface and a high density of deep donor defect states in the bulk. We found that previous device structures did not consider the inversion layer at the surface region of iron pyrite, which made it difficult to obtain the conversion efficiency. Therefore, we remodeled the device structure and suggested that removing the inversion layer and reducing the density of deep donor defect states would lead to a high conversion efficiency of iron pyrite solar cells.
A SIMPLE, EFFICIENT SOLUTION OF FLUX-PROFILE RELATIONSHIPS IN THE ATMOSPHERIC SURFACE LAYER

EPA Science Inventory

This note describes a simple scheme for analytical estimation of the surface layer similarity functions from state variables. What distinguishes this note from the many previous papers on this topic is that this method is specifically targeted for numerical models where simplici...
Multiple charge density wave states at the surface of TbT e 3

DOE PAGES

Fu, Ling; Kraft, Aaron M.; Sharma, Bishnu; ...

2016-11-01

We studied TbTe 3 using scanning tunneling microscopy (STM) in the temperature range of 298–355 K. Our measurements detect a unidirectional charge density wave (CDW) state in the surface Te layer with a wave vector consistent with that of the bulk q CDW = 0.30 ± 0.01c*. However, unlike previous STM measurements, and differing from measurements probing the bulk, we detect two perpendicular orientations for the unidirectional CDW with no directional preference for the in-plane crystal axes (a or c axis) and no noticeable difference in wave vector magnitude. In addition, we find regions in which the bidirectional CDW statesmore » coexist. We propose that observation of two unidirectional CDW states indicates a decoupling of the surface Te layer from the rare-earth block layer below, and that strain variations in the Te surface layer drive the local CDW direction to the specific unidirectional or, in rare occurrences, bidirectional CDW orders observed. This indicates that similar driving mechanisms for CDW formation in the bulk, where anisotropic lattice strain energy is important, are at play at the surface. Furthermore, the wave vectors for the bidirectional order we observe differ from those theoretically predicted for checkerboard order competing with stripe order in a Fermi-surface nesting scenario, suggesting that factors beyond Fermi-surface nesting drive CDW order in TbTe 3. As a result, our temperature-dependent measurements provide evidence for localized CDW formation above the bulk transition temperature T CDW.« less
On the shedding of impaled droplets: The role of transient intervening layers

NASA Astrophysics Data System (ADS)

Stamatopoulos, Christos; Schutzius, Thomas M.; Köppl, Christian J.; Hayek, Nicolas El; Maitra, Tanmoy; Hemrle, Jaroslav; Poulikakos, Dimos

2016-01-01

Maintaining the non-wetting property of textured hydrophobic surfaces is directly related to the preservation of an intervening fluid layer (gaseous or immiscible liquid) between the droplet and substrate; once displaced, it cannot be recovered spontaneously as the fully penetrated Wenzel wetting state is energetically favorable. Here, we identify pathways for the “lifting” of droplets from the surface texture, enabling a complete Wenzel-to-Cassie-Baxter wetting state transition. This is accomplished by the hemiwicking of a transient (limited lifetime due to evaporation) low surface tension (LST) liquid, which is capable of self-assembling as an intervening underlayer, lifting the droplet from its impaled state and facilitating a skating-like behavior. In the skating phase, a critical substrate tilting angle is identified, up to which underlayer and droplet remain coupled exhibiting a pseudo-Cassie-Baxter state. For greater titling angles, the droplet, driven by inertia, detaches itself from the liquid intervening layer and transitions to a traditional Cassie-Baxter wetting state, thereby accelerating and leaving the underlayer behind. A model is also presented that elucidates the mechanism of mobility recovery. Ultimately, this work provides a better understanding of multiphase mass transfer of immiscible LST liquid-water mixtures with respect to establishing facile methods towards retaining intervening layers.
On the shedding of impaled droplets: The role of transient intervening layers

PubMed Central

Stamatopoulos, Christos; Schutzius, Thomas M.; Köppl, Christian J.; Hayek, Nicolas El; Maitra, Tanmoy; Hemrle, Jaroslav; Poulikakos, Dimos

2016-01-01

Maintaining the non-wetting property of textured hydrophobic surfaces is directly related to the preservation of an intervening fluid layer (gaseous or immiscible liquid) between the droplet and substrate; once displaced, it cannot be recovered spontaneously as the fully penetrated Wenzel wetting state is energetically favorable. Here, we identify pathways for the “lifting” of droplets from the surface texture, enabling a complete Wenzel-to-Cassie-Baxter wetting state transition. This is accomplished by the hemiwicking of a transient (limited lifetime due to evaporation) low surface tension (LST) liquid, which is capable of self-assembling as an intervening underlayer, lifting the droplet from its impaled state and facilitating a skating-like behavior. In the skating phase, a critical substrate tilting angle is identified, up to which underlayer and droplet remain coupled exhibiting a pseudo-Cassie-Baxter state. For greater titling angles, the droplet, driven by inertia, detaches itself from the liquid intervening layer and transitions to a traditional Cassie-Baxter wetting state, thereby accelerating and leaving the underlayer behind. A model is also presented that elucidates the mechanism of mobility recovery. Ultimately, this work provides a better understanding of multiphase mass transfer of immiscible LST liquid-water mixtures with respect to establishing facile methods towards retaining intervening layers. PMID:26743806
Surface acceptor states in MBE-grown CdTe layers

NASA Astrophysics Data System (ADS)

Wichrowska, Karolina; Wosinski, Tadeusz; Tkaczyk, Zbigniew; Kolkovsky, Valery; Karczewski, Grzegorz

2018-04-01

A deep-level hole trap associated with surface defect states has been revealed with deep-level transient spectroscopy investigations of metal-semiconductor junctions fabricated on nitrogen doped p-type CdTe layers grown by the molecular-beam epitaxy technique. The trap displayed the hole-emission activation energy of 0.33 eV and the logarithmic capture kinetics indicating its relation to extended defect states at the metal-semiconductor interface. Strong electric-field-induced enhancement of the thermal emission rate of holes from the trap has been attributed to the phonon-assisted tunneling effect from defect states involving very large lattice relaxation around the defect and metastability of its occupied state. Passivation with ammonium sulfide of the CdTe surface, prior to metallization, results in a significant decrease in the trap density. It also results in a distinct reduction in the width of the surface-acceptor-state-induced hysteresis loops in the capacitance vs. voltage characteristics of the metal-semiconductor junctions.
Oxygen-implanted induced formation of oxide layer enhances blood compatibility on titanium for biomedical applications.

PubMed

Hung, Wei-Chiang; Chang, Fang-Mo; Yang, Tzu-Sen; Ou, Keng-Liang; Lin, Che-Tong; Peng, Pei-Wen

2016-11-01

Titanium dioxide (TiO2) layers were prepared on a Ti substrate by using oxygen plasma immersion ion implantation (oxygen PIII). The surface chemical states, structure, and morphology of the layers were studied using X-ray photoelectron spectroscopy, X-ray diffraction, Raman microscopy, atomic force microscopy and scanning electron microscope. The mechanical properties, such as the Young's modulus and hardness, of the layers were investigated using nanoindentation testing. The Ti(4+) chemical state was determined to be present on oxygen-PIII-treated surfaces, which consisted of nanocrystalline TiO2 with a rutile structure. Compared with Ti substrates, the oxygen-PIII-treated surfaces exhibited decreased Young's moduli and hardness. Parameters indicating the blood compatibility of the oxygen-PIII-treated surfaces, including the clotting time and platelet adhesion and activation, were studied in vitro. Clotting time assays indicated that the clotting time of oxygen-PIII-treated surfaces was longer than that of the Ti substrate, which was associated with decreased fibrinogen adsorption. In conclusion, the surface characteristics and the blood compatibility of Ti implants can be modified and improved using oxygen PIII. Copyright © 2016 Elsevier B.V. All rights reserved.
Enhanced magneto-optical imaging of internal stresses in the removed surface layer

NASA Astrophysics Data System (ADS)

Agalidi, Yuriy; Kozhukhar, Pavlo; Levyi, Sergii; Turbin, Dmitriy

2015-10-01

The paper describes a software method of reconstructing the state of the removed surface layer by visualising internal stresses in the underlying layers of the sample. Such a problem typically needs to be solved as part of forensic investigation that aims to reveal original marking of a sample with removed surface layer. For example, one may be interested in serial numbers of weapons or vehicles that had the surface layer of metal removed from the number plate. Experimental results of studying gradient internal stress fields in ferromagnetic sample using the NDI method of magneto-optical imaging (MOI) are presented. Numerical modelling results of internal stresses enclosed in the surface marking region are analysed and compared to the experimental results of magneto-optical imaging (MOI). MOI correction algorithm intended for reconstructing internal stress fields in the removed surface layer by extracting stresses retained by the underlying layers is described. Limiting ratios between parameters of a marking font are defined for the considered correction algorithm. Enhanced recognition properties for hidden stresses left by marking symbols are experimentally verified and confirmed.
Study of first electronic transition and hydrogen bonding state of ultra-thin water layer of nanometer thickness on an α-alumina surface by far-ultraviolet spectroscopy

NASA Astrophysics Data System (ADS)

Goto, Takeyoshi; Kinugasa, Tomoya

2018-05-01

The first electronic transition (A˜ ← X˜) and the hydrogen bonding state of an ultra-thin water layer of nanometer thickness between two α-alumina surfaces (0.5-20 nm) were studied using far-ultraviolet (FUV) spectroscopy in the wavelength range 140-180 nm. The ultra-thin water layer of nanometer thickness was prepared by squeezing a water droplet ( 1 μL) between a highly polished α-alumina prism and an α-alumina plate using a high pressure clamp ( 4.7 MPa), and the FUV spectra of the water layer at different thicknesses were measured using the attenuated total reflection method. As the water layer became thinner, the A˜ ← X˜ bands were gradually shifted to higher or lower energy relative to that of bulk water; at thicknesses smaller than 4 nm, these shifts were substantial (0.1-0.2 eV) in either case. The FUV spectra of the water layer with thickness < 4 nm indicate the formation of structured ice-like hydrogen bond (H-bond) layers for the higher energy shifts or the formation of slightly weaker H-bond layers as compared to those in the bulk liquid state for lower energy shifts. In either case, the H-bond structure of bulk liquid water is nearly lost at thicknesses below 4 nm, because of steric hydration forces between the α-alumina surfaces.
Distinct oxygen hole doping in different layers of Sr₂CuO 4-δ/La₂CuO₄ superlattices

DOE PAGES

Smadici, S.; Lee, J. C. T.; Rusydi, A.; ...

2012-03-28

X-ray absorption in Sr₂CuO 4-δ/La₂CuO₄ (SCO/LCO) superlattices shows a variable occupation with doping of a hole state different from holes doped for x≲x optimal in bulk La 2-xSr xCuO₄ and suggests that this hole state is on apical oxygen atoms and polarized in the a-b plane. Considering the surface reflectivity gives a good qualitative description of the line shapes of resonant soft x-ray scattering. The interference between superlattice and surface reflections was used to distinguish between scatterers in the SCO and the LCO layers, with the two hole states maximized in different layers of the superlattice.
Optimization of the parameters of ITO-CdTe photovoltaic cells

NASA Astrophysics Data System (ADS)

Adib, N.; Simashkevich, A. V.; Sherban, D. A.

The effect of the surface state density at the interface and of the static charge in the intermediate oxide layer on the photoelectric parameters of solar cells based on ITO-nCdTe semiconductor-insulator-semiconductor structures is calculated theoretically. It is shown that,under AMI conditions, the conversion efficiency of such cells can be as high as 12 percent (short-circuit current, 23 mA/sq cm; open-circuit voltage, 0.65 V; fill factor, 0.8), provided that the surface states are acceptors and the oxide is negatively charged. It is concluded that surface states and the dielectric layer charge have a positive effect on the efficiency of solar cells of this type.

Parameter variation effects on temperature elevation in a steady-state, one-dimensional thermal model for millimeter wave exposure of one- and three-layer human tissue.

PubMed

Kanezaki, Akio; Hirata, Akimasa; Watanabe, Soichi; Shirai, Hiroshi

2010-08-21

The present study describes theoretical parametric analysis of the steady-state temperature elevation in one-dimensional three-layer (skin, fat and muscle) and one-layer (skin only) models due to millimeter-wave exposure. The motivation of this fundamental investigation is that some variability of warmth sensation in the human skin has been reported. An analytical solution for a bioheat equation was derived by using the Laplace transform for the one-dimensional human models. Approximate expressions were obtained to investigate the dependence of temperature elevation on different thermal and tissue thickness parameters. It was shown that the temperature elevation on the body surface decreases monotonically with the blood perfusion rate, heat conductivity and heat transfer from the body to air. Also revealed were the conditions where maximum and minimum surface temperature elevations were observed for different thermal and tissue thickness parameters. The surface temperature elevation in the three-layer model is 1.3-2.8 times greater than that in the one-layer model. The main reason for this difference is attributed to the adiabatic nature of the fat layer. By considering the variation range of thermal and tissue thickness parameters which causes the maximum and minimum temperature elevations, the dominant parameter influencing the surface temperature elevation was found to be the heat transfer coefficient between the body surface and air.
Few-layer nanoplates of Bi 2 Se 3 and Bi 2 Te 3 with highly tunable chemical potential.

PubMed

Kong, Desheng; Dang, Wenhui; Cha, Judy J; Li, Hui; Meister, Stefan; Peng, Hailin; Liu, Zhongfan; Cui, Yi

2010-06-09

A topological insulator (TI) represents an unconventional quantum phase of matter with insulating bulk band gap and metallic surface states. Recent theoretical calculations and photoemission spectroscopy measurements show that group V-VI materials Bi(2)Se(3), Bi(2)Te(3), and Sb(2)Te(3) are TIs with a single Dirac cone on the surface. These materials have anisotropic, layered structures, in which five atomic layers are covalently bonded to form a quintuple layer, and quintuple layers interact weakly through van der Waals interaction to form the crystal. A few quintuple layers of these materials are predicted to exhibit interesting surface properties. Different from our previous nanoribbon study, here we report the synthesis and characterizations of ultrathin Bi(2)Te(3) and Bi(2)Se(3) nanoplates with thickness down to 3 nm (3 quintuple layers), via catalyst-free vapor-solid (VS) growth mechanism. Optical images reveal thickness-dependent color and contrast for nanoplates grown on oxidized silicon (300 nm SiO(2)/Si). As a new member of TI nanomaterials, ultrathin TI nanoplates have an extremely large surface-to-volume ratio and can be electrically gated more effectively than the bulk form, potentially enhancing surface state effects in transport measurements. Low-temperature transport measurements of a single nanoplate device, with a high-k dielectric top gate, show decrease in carrier concentration by several times and large tuning of chemical potential.
Surface State Density Determines the Energy Level Alignment at Hybrid Perovskite/Electron Acceptors Interfaces.

PubMed

Zu, Fengshuo; Amsalem, Patrick; Ralaiarisoa, Maryline; Schultz, Thorsten; Schlesinger, Raphael; Koch, Norbert

2017-11-29

Substantial variations in the electronic structure and thus possibly conflicting energetics at interfaces between hybrid perovskites and charge transport layers in solar cells have been reported by the research community. In an attempt to unravel the origin of these variations and enable reliable device design, we demonstrate that donor-like surface states stemming from reduced lead (Pb 0 ) directly impact the energy level alignment at perovskite (CH 3 NH 3 PbI 3-x Cl x ) and molecular electron acceptor layer interfaces using photoelectron spectroscopy. When forming the interfaces, it is found that electron transfer from surface states to acceptor molecules occurs, leading to a strong decrease in the density of ionized surface states. As a consequence, for perovskite samples with low surface state density, the initial band bending at the pristine perovskite surface can be flattened upon interface formation. In contrast, for perovskites with a high surface state density, the Fermi level is strongly pinned at the conduction band edge, and only minor changes in surface band bending are observed upon acceptor deposition. Consequently, depending on the initial perovskite surface state density, very different interface energy level alignment situations (variations over 0.5 eV) are demonstrated and rationalized. Our findings help explain the rather dissimilar reported energy levels at interfaces with perovskites, refining our understanding of the operating principles in devices comprising this material.
Structural-phase states and wear resistance of surface formed on steel by surfacing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kapralov, Evgenie V.; Raykov, Sergey V.; Vaschuk, Ekaterina S.

2014-11-14

Investigations of elementary and phase structure, state of defect structure and tribological characteristics of a surfacing, formed on a low carbon low-alloy steel by a welding method were carried out. It was revealed that a surfacing, formed on a steel surface is accompanied by the multilayer formation, and increases the wear resistance of the layer surfacing as determined.
Abnormal Multiple Charge Memory States in Exfoliated Few-Layer WSe2 Transistors.

PubMed

Chen, Mikai; Wang, Yifan; Shepherd, Nathan; Huard, Chad; Zhou, Jiantao; Guo, L J; Lu, Wei; Liang, Xiaogan

2017-01-24

To construct reliable nanoelectronic devices based on emerging 2D layered semiconductors, we need to understand the charge-trapping processes in such devices. Additionally, the identified charge-trapping schemes in such layered materials could be further exploited to make multibit (or highly desirable analog-tunable) memory devices. Here, we present a study on the abnormal charge-trapping or memory characteristics of few-layer WSe 2 transistors. This work shows that multiple charge-trapping states with large extrema spacing, long retention time, and analog tunability can be excited in the transistors made from mechanically exfoliated few-layer WSe 2 flakes, whereas they cannot be generated in widely studied few-layer MoS 2 transistors. Such charge-trapping characteristics of WSe 2 transistors are attributed to the exfoliation-induced interlayer deformation on the cleaved surfaces of few-layer WSe 2 flakes, which can spontaneously form ambipolar charge-trapping sites. Our additional results from surface characterization, charge-retention characterization at different temperatures, and density functional theory computation strongly support this explanation. Furthermore, our research also demonstrates that the charge-trapping states excited in multiple transistors can be calibrated into consistent multibit data storage levels. This work advances the understanding of the charge memory mechanisms in layered semiconductors, and the observed charge-trapping states could be further studied for enabling ultralow-cost multibit analog memory devices.
Effect of surface state on the oxidation behavior of welded 308L in simulated nominal primary water of PWR

NASA Astrophysics Data System (ADS)

Ming, Hongliang; Zhang, Zhiming; Wang, Jiazhen; Zhu, Ruolin; Ding, Jie; Wang, Jianqiu; Han, En-Hou; Ke, Wei

2015-05-01

The oxidation behavior of 308L weld metal (WM) with different surface state in the simulated nominal primary water of pressurized water reactor (PWR) was studied by scanning electron microscopy (SEM) equipped with energy dispersive X-ray spectroscopy (EDS), X-ray diffraction (XRD) analyzer and X-ray photoelectron spectroscopy (XPS). After 480 h immersion, a duplex oxide film composed of a Fe-rich outer layer (Fe3O4, Fe2O3 and a small amount of NiFe2O4, Ni(OH)2, Cr(OH)3 and (Ni, Fe)Cr2O4) and a Cr-rich inner layer (FeCr2O4 and NiCr2O4) can be formed on the 308L WM samples with different surface state. The surface state has no influence on the phase composition of the oxide films but obviously affects the thickness of the oxide films and the morphology of the oxides (number & size). With increasing the density of dislocations and subgrain boundaries in the cold-worked superficial layer, the thickness of the oxide film, the number and size of the oxides decrease.
Thickened boundary layer theory for air film drag reduction on a van body surface

NASA Astrophysics Data System (ADS)

Xie, Xiaopeng; Cao, Lifeng; Huang, Heng

2018-05-01

To elucidate drag reduction mechanism on a van body surface under air film condition, a thickened boundary layer theory was proposed and a frictional resistance calculation model of the van body surface was established. The frictional resistance on the van body surface was calculated with different parameters of air film thickness. In addition, the frictional resistance of the van body surface under the air film condition was analyzed by computational fluid dynamics (CFD) simulation and different air film states that influenced the friction resistance on the van body surface were discussed. As supported by the CFD simulation results, the thickened boundary layer theory may provide reference for practical application of air film drag reduction on a van body surface.
Electronic structure studies of a clock-reconstructed Al/Pd(1 0 0) surface alloy

NASA Astrophysics Data System (ADS)

Kirsch, Janet E.; Tainter, Craig J.

We have employed solid-state Fenske-Hall band structure calculations to examine the electronic structure of Al/Pd(1 0 0), a surface alloy that undergoes a reconstruction, or rearrangement, of the atoms in the top few surface layers. Surface alloys are materials that consist primarily of a single elemental metal, but which have a bimetallic surface composition that is only a few atomic layers in thickness. The results of this study indicate that reconstruction into a clock configuration simultaneously optimizes the intralayer bonding within the surface plane and the bonding between the first and second atomic layers. These results also allow us to examine the fundamental relationship between the electronic and physical structures of this reconstructed surface alloy.
Impact of Langmuir Turbulence on Upper Ocean Response to Hurricane Edouard: Model and Observations

NASA Astrophysics Data System (ADS)

Blair, A.; Ginis, I.; Hara, T.; Ulhorn, E.

2017-12-01

Tropical cyclone intensity is strongly affected by the air-sea heat flux beneath the storm. When strong storm winds enhance upper ocean turbulent mixing and entrainment of colder water from below the thermocline, the resulting sea surface temperature cooling may reduce the heat flux to the storm and weaken the storm. Recent studies suggest that this upper ocean turbulence is strongly affected by different sea states (Langmuir turbulence), which are highly complex and variable in tropical cyclone conditions. In this study, the upper ocean response under Hurricane Edouard (2014) is investigated using a coupled ocean-wave model with and without an explicit sea state dependent Langmuir turbulence parameterization. The results are compared with in situ observations of sea surface temperature and mixed layer depth from AXBTs, as well as satellite sea surface temperature observations. Overall, the model results of mixed layer deepening and sea surface temperature cooling under and behind the storm are consistent with observations. The model results show that the effects of sea state dependent Langmuir turbulence can be significant, particularly on the mixed layer depth evolution. Although available observations are not sufficient to confirm such effects, some observed trends suggest that the sea state dependent parameterization might be more accurate than the traditional (sea state independent) parameterization.
Evidence of a Transition Layer between the Free Surface and the Bulk.

PubMed

Ogieglo, Wojciech; Tempelman, Kristianne; Napolitano, Simone; Benes, Nieck E

2018-03-15

The free surface, a very thin layer at the interface between polymer and air, is considered the main source of the perturbations in the properties of ultrathin polymer films, i.e., nanoconfinement effects. The structural relaxation of such a layer is decoupled from the molecular dynamics of the bulk. The free surface is, in fact, able to stay liquid even below the temperature where the polymer resides in the glassy state. Importantly, this surface layer is expected to have a very sharp interface with the underlying bulk. Here, by analyzing the penetration of n-hexane into polystyrene films, we report on the existence of a transition region, not observed by previous investigations, extending for 12 nm below the free surface. The presence of such a layer permits reconciling the behavior of interfacial layers with current models and has profound implications on the performance of ultrathin membranes. We show that the expected increase in the flux of the permeating species is actually overruled by nanoconfinement.
Structure-phase state and mechanical properties of surface layers in titanium nikelide single crystals after shock mechanical treatment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Surikova, N., E-mail: surikova@ispms.tsc.ru; Panin, V., E-mail: paninve@ispms.tsc.ru; Vlasov, I.

2015-10-27

The influence of ultrasonic shock surface treatment (USST) on refine structure and mechanical characteristics of surface layers and deformation behaviour of volume samples of TiNi(Fe, Mo) shape memory effect alloy single crystals is studied using optical and transmission electron microscope, X-ray diffraction, nanoindentation, mechanical attrition testing and experiments on uniaxial tension.
Structure-phase state and mechanical properties of surface layers in titanium nikelide single crystals after shock mechanical treatment

NASA Astrophysics Data System (ADS)

Surikova, N.; Panin, V.; Vlasov, I.; Narkevich, N.; Surikov, N.; Tolmachev, A.

2015-10-01

The influence of ultrasonic shock surface treatment (USST) on refine structure and mechanical characteristics of surface layers and deformation behaviour of volume samples of TiNi(Fe, Mo) shape memory effect alloy single crystals is studied using optical and transmission electron microscope, X-ray diffraction, nanoindentation, mechanical attrition testing and experiments on uniaxial tension.
Direct observation of a surface resonance state and surface band inversion control in black phosphorus

NASA Astrophysics Data System (ADS)

Ehlen, N.; Sanna, A.; Senkovskiy, B. V.; Petaccia, L.; Fedorov, A. V.; Profeta, G.; Grüneis, A.

2018-01-01

We report a Cs-doping-induced band inversion and the direct observation of a surface resonance state with an elliptical Fermi surface in black phosphorus (BP) using angle-resolved photoemission spectroscopy. By selectively inducing a higher electron concentration (1.7 ×1014cm-2 ) in the topmost layer, the changes in the Coulomb potential are sufficiently large to cause surface band inversion between the parabolic valence band of BP and a parabolic surface state around the Γ point of the BP Brillouin zone. Tight-binding calculations reveal that band gap openings at the crossing points in the two high-symmetry directions of the Brillouin zone require out-of-plane hopping and breaking of the glide mirror symmetry. Ab initio calculations are in very good agreement with the experiment if a stacking fault on the BP surface is taken into account. The demonstrated level of control over the band structure suggests the potential application of few-layer phosphorene in topological field-effect transistors.
Observation of a brine layer on an ice surface with an environmental scanning electron microscope at higher pressures and temperatures.

PubMed

Krausko, Ján; Runštuk, Jiří; Neděla, Vilém; Klán, Petr; Heger, Dominik

2014-05-20

Observation of a uranyl-salt brine layer on an ice surface using backscattered electron detection and ice surface morphology using secondary-electron detection under equilibrium conditions was facilitated using an environmental scanning electron microscope (ESEM) at temperatures above 250 K and pressures of hundreds of Pa. The micrographs of a brine layer over ice grains prepared by either slow or shock freezing provided a complementary picture of the contaminated ice grain boundaries. Fluorescence spectroscopy of the uranyl ions in the brine layer confirmed that the species exists predominately in the solvated state under experimental conditions of ESEM.
On the sensitivity of mesoscale models to surface-layer parameterization constants

NASA Astrophysics Data System (ADS)

Garratt, J. R.; Pielke, R. A.

1989-09-01

The Colorado State University standard mesoscale model is used to evaluate the sensitivity of one-dimensional (1D) and two-dimensional (2D) fields to differences in surface-layer parameterization “constants”. Such differences reflect the range in the published values of the von Karman constant, Monin-Obukhov stability functions and the temperature roughness length at the surface. The sensitivity of 1D boundary-layer structure, and 2D sea-breeze intensity, is generally less than that found in published comparisons related to turbulence closure schemes generally.
Formation of Ideal Rashba States on Layered Semiconductor Surfaces Steered by Strain Engineering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ming, Wenmei; Wang, Z. F.; Zhou, Miao

2015-12-10

Spin splitting of Rashba states in two-dimensional electron system provides a mechanism of spin manipulation for spintronics applications. However, Rashba states realized experimentally to date are often outnumbered by spin-degenerated substrate states at the same energy range, hindering their practical applications. Here, by density functional theory calculation, we show that Au one monolayer film deposition on a layered semiconductor surface β-InSe(0001) can possess “ideal” Rashba states with large spin splitting, which are completely situated inside the large band gap of the substrate. The position of the Rashba bands can be tuned over a wide range with respect to the substratemore » band edges by experimentally accessible strain. Furthermore, our nonequilibrium Green’s function transport calculation shows that this system may give rise to the long-sought strong current modulation when made into a device of Datta-Das transistor. Similar systems may be identified with other metal ultrathin films and layered semiconductor substrates to realize ideal Rashba states.« less
On the Interaction between Marine Boundary Layer Cellular Cloudiness and Surface Heat Fluxes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kazil, J.; Feingold, G.; Wang, Hailong

2014-01-02

The interaction between marine boundary layer cellular cloudiness and surface uxes of sensible and latent heat is investigated. The investigation focuses on the non-precipitating closed-cell state and the precipitating open-cell state at low geostrophic wind speed. The Advanced Research WRF model is used to conduct cloud-system-resolving simulations with interactive surface fluxes of sensible heat, latent heat, and of sea salt aerosol, and with a detailed representation of the interaction between aerosol particles and clouds. The mechanisms responsible for the temporal evolution and spatial distribution of the surface heat fluxes in the closed- and open-cell state are investigated and explained. Itmore » is found that the horizontal spatial structure of the closed-cell state determines, by entrainment of dry free tropospheric air, the spatial distribution of surface air temperature and water vapor, and, to a lesser degree, of the surface sensible and latent heat flux. The synchronized dynamics of the the open-cell state drives oscillations in surface air temperature, water vapor, and in the surface fluxes of sensible and latent heat, and of sea salt aerosol. Open-cell cloud formation, cloud optical depth and liquid water path, and cloud and rain water path are identified as good predictors of the spatial distribution of surface air temperature and sensible heat flux, but not of surface water vapor and latent heat flux. It is shown that by enhancing the surface sensible heat flux, the open-cell state creates conditions by which it is maintained. While the open-cell state under consideration is not depleted in aerosol, and is insensitive to variations in sea-salt fluxes, it also enhances the sea-salt flux relative to the closed-cell state. In aerosol-depleted conditions, this enhancement may replenish the aerosol needed for cloud formation, and hence contribute to the perpetuation of the open-cell state as well. Spatial homogenization of the surface fluxes is found to have only a small effect on cloud properties in the investigated cases. This indicates that sub-grid scale spatial variability in the surface flux of sensible and latent heat and of sea salt aerosol may not be required in large scale and global models to describe marine boundary layer cellular cloudiness.« less
Molecular charge distribution and dispersion of electronic states in the contact layer between pentacene and Cu(119) and beyond

NASA Astrophysics Data System (ADS)

Annese, E.; Fujii, J.; Baldacchini, C.; Zhou, B.; Viol, C. E.; Vobornik, I.; Betti, M. G.; Rossi, G.

2008-05-01

The interaction of pentacene molecules in contact with the Cu(119) stepped surface has been directly imaged by scanning tunneling microscopy and analyzed by angle resolved photoemission spectroscopy. Interacting molecules, which are in contact with copper, generate dispersive electronic states associated with a perturbed electron charge density distribution of the molecular orbitals. In contrast, the electron charge density of molecules of the pentacene on top of the first layer, which is not in direct contact with the Cu surface, shows an intramolecular structure very similar to that of the free molecule. Our results indicate that the delocalization of the molecular states in the pentacene/Cu system is confined to the very first molecular layer at the interface.
Addressing the Interface Issues in All-Solid-State Bulk-Type Lithium Ion Battery via an All-Composite Approach.

PubMed

Chen, Ru-Jun; Zhang, Yi-Bo; Liu, Ting; Xu, Bing-Qing; Lin, Yuan-Hua; Nan, Ce-Wen; Shen, Yang

2017-03-22

All-solid-state bulk-type lithium ion batteries (LIBs) are considered ultimate solutions to the safety issues associated with conventional LIBs using flammable liquid electrolyte. The development of bulk-type all-solid-state LIBs has been hindered by the low loading of active cathode materials, hence low specific surface capacity, and by the high interface resistance, which results in low rate and cyclic performance. In this contribution, we propose and demonstrate a synergistic all-composite approach to fabricating flexible all-solid-state LIBs. PEO-based composite cathode layers (filled with LiFePO 4 particles) of ∼300 μm in thickness and composite electrolyte layers (filled with Al-LLZTO particles) are stacked layer-by-layer with lithium foils as negative layer and hot-pressed into a monolithic all-solid-state LIB. The flexible LIB delivers a high specific discharge capacity of 155 mAh/g, which corresponds to an ultrahigh surface capacity of 10.8 mAh/cm 2 , exhibits excellent capacity retention up to at least 10 cycles and could work properly under harsh operating conditions such as bending or being sectioned into pieces. The all-composite approach is favorable for improving both mesoscopic and microscopic interfaces inside the all-solid-state LIB and may provide a new toolbox for design and fabrication of all-solid-state LIBs.
Magnetic field-related heating instabilities in the surface layers of the sun and stars

NASA Technical Reports Server (NTRS)

Ferrari, A.; Rosner, R.; Vaiana, G. S.

1982-01-01

The stability of a magnetized low-density plasma to current-driven filamentation instabilities is investigated and the results are applied to the surface layers of stars. Unlike previous studies, the initial (i.e., precoronal) state of the stellar surface atmosphere is taken to be a low-density, optically thin magnetized plasma in radiative equilibrium. The linear analysis shows that the surface layers of main-sequence stars (including the sun) which are threaded by magnetic fields are unstable; the instabilities considered lead to structuring perpendicular to the ambient magnetic fields. These results suggest that relatively modest surface motions, in conjunction with the presence of magnetic fields, suffice to account for the presence of inhomogeneous chromospheric and coronal plasma overlying a star's surface.

Pump-probe surface photovoltage spectroscopy measurements on semiconductor epitaxial layers.

PubMed

Jana, Dipankar; Porwal, S; Sharma, T K; Kumar, Shailendra; Oak, S M

2014-04-01

Pump-probe Surface Photovoltage Spectroscopy (SPS) measurements are performed on semiconductor epitaxial layers. Here, an additional sub-bandgap cw pump laser beam is used in a conventional chopped light geometry SPS setup under the pump-probe configuration. The main role of pump laser beam is to saturate the sub-bandgap localized states whose contribution otherwise swamp the information related to the bandgap of material. It also affects the magnitude of Dember voltage in case of semi-insulating (SI) semiconductor substrates. Pump-probe SPS technique enables an accurate determination of the bandgap of semiconductor epitaxial layers even under the strong influence of localized sub-bandgap states. The pump beam is found to be very effective in suppressing the effect of surface/interface and bulk trap states. The overall magnitude of SPV signal is decided by the dependence of charge separation mechanisms on the intensity of the pump beam. On the contrary, an above bandgap cw pump laser can be used to distinguish the signatures of sub-bandgap states by suppressing the band edge related feature. Usefulness of the pump-probe SPS technique is established by unambiguously determining the bandgap of p-GaAs epitaxial layers grown on SI-GaAs substrates, SI-InP wafers, and p-GaN epilayers grown on Sapphire substrates.
Analytical model of surface potential profiles and transfer characteristics for hetero stacked tunnel field-effect transistors

NASA Astrophysics Data System (ADS)

Xu, Hui Fang; Sun, Wen; Han, Xin Feng

2018-06-01

An analytical model of surface potential profiles and transfer characteristics for hetero stacked tunnel field-effect transistors (HS-TFETs) is presented for the first time, where hetero stacked materials are composed of two different bandgaps. The bandgap of the underlying layer is smaller than that of the upper layer. Under different device parameters (upper layer thickness, underlying layer thickness, and hetero stacked materials) and temperature, the validity of the model is demonstrated by the agreement of its results with the simulation results. Moreover, the results show that the HS-TFETs can obtain predominant performance with relatively slow changes of subthreshold swing (SS) over a wide drain current range, steep average subthreshold swing, high on-state current, and large on–off state current ratio.
Solid state radiative heat pump

DOEpatents

Berdahl, P.H.

1984-09-28

A solid state radiative heat pump operable at room temperature (300 K) utilizes a semiconductor having a gap energy in the range of 0.03-0.25 eV and operated reversibly to produce an excess or deficit of change carriers as compared equilibrium. In one form of the invention an infrared semiconductor photodiode is used, with forward or reverse bias, to emit an excess or deficit of infrared radiation. In another form of the invention, a homogenous semiconductor is subjected to orthogonal magnetic and electric fields to emit an excess or deficit of infrared radiation. Three methods of enhancing transmission of radiation the active surface of the semiconductor are disclosed. In one method, an anti-refection layer is coated into the active surface of the semiconductor, the anti-reflection layer having an index of refraction equal to the square root of that of the semiconductor. In the second method, a passive layer is speaced trom the active surface of the semiconductor by a submicron vacuum gap, the passive layer having an index of refractive equal to that of the semiconductor. In the third method, a coupler with a paraboloid reflecting surface surface is in contact with the active surface of the semiconductor, the coupler having an index of refraction about the same as that of the semiconductor.
Anodic behavior of uranium in AlCl3-1-ethyl-3-methyl-imidazolium chloride ionic liquid

NASA Astrophysics Data System (ADS)

Jiang, Yidong; Luo, Lizhu; Wang, Shaofei; Bin, Ren; Zhang, Guikai; Wang, Xiaolin

2018-01-01

The oxidation state of metals unambiguously affects its anodic behavior in ionic liquid. We systematically investigated the anodic behavior of uranium with different surface oxidation states by electrochemical measurements, spectroscopic methods and surface analysis techniques. In the anodic process, metal uranium can be oxidized to U3+. The corresponding products accumulated on the metal/ILs interface will form a viscous layer. The anodic behavior of uranium is also strongly dependent upon the surface oxide states including thickness and homogeneity of the oxide film. With an increase in the thickness of oxide film, it will be breached at potentials in excess of a critical value. A uniform oxide on uranium surface can be breached evenly, and then the underlying metal starts to dissolve forming a viscous layer which can facilitate uniformly stripping of oxide, thus giving an oxide-free surface. Otherwise, a nonuniform oxide can result in a severe pitted surface with residue oxygen.
Unoccupied surface states of LaB6(001) studied by k -resolved inverse photoemission

NASA Astrophysics Data System (ADS)

Morimoto, Osamu; Kunii, Satoru; Kakizaki, Akito

2006-06-01

We have measured k -resolved inverse photoemission spectra of LaB6(001) to study unoccupied surface states. The surface states are observed near the Fermi level (EF) and at 6.8eV above EF , which are originated from La5d and La4f states, respectively. The surface state near EF shows energy dispersion along the Γ - M direction of the surface Brillouin zone, which does not agree with that of a recently reported theoretical calculation. It is deduced that at a LaB6(001) surface, electrons are transferred from the subsurface to the topmost La layer. This charge redistribution can reduce surface dipole moments.
Comparisons of predicted steady-state levels in rooms with extended- and local-reaction bounding surfaces

NASA Astrophysics Data System (ADS)

Hodgson, Murray; Wareing, Andrew

2008-01-01

A combined beam-tracing and transfer-matrix model for predicting steady-state sound-pressure levels in rooms with multilayer bounding surfaces was used to compare the effect of extended- and local-reaction surfaces, and the accuracy of the local-reaction approximation. Three rooms—an office, a corridor and a workshop—with one or more multilayer test surfaces were considered. The test surfaces were a single-glass panel, a double-drywall panel, a carpeted floor, a suspended-acoustical ceiling, a double-steel panel, and glass fibre on a hard backing. Each test surface was modeled as of extended or of local reaction. Sound-pressure levels were predicted and compared to determine the significance of the surface-reaction assumption. The main conclusions were that the difference between modeling a room surface as of extended or of local reaction is not significant when the surface is a single plate or a single layer of material (solid or porous) with a hard backing. The difference is significant when the surface consists of multilayers of solid or porous material and includes a layer of fluid with a large thickness relative to the other layers. The results are partially explained by considering the surface-reflection coefficients at the first-reflection angles.
STM/STS Study of the Sb (111) Surface

NASA Astrophysics Data System (ADS)

Chekmazov, S. V.; Bozhko, S. I.; Smirnov, A. A.; Ionov, A. M.; Kapustin, A. A.

An Sb crystal is a Peierls insulator. Formation of double layers in the Sb structure is due to the shift of atomic planes (111) next but one along the C3 axis. Atomic layers inside the double layer are connected by covalent bonds. The interaction between double layers is determined mainly by Van der Waals forces. The cleave of an Sb single crystal used to be via break of Van der Waals bonds. However, using scanning tunneling microscopy (STM) and spectroscopy (STS) we demonstrated that apart from islands equal in thickness to the double layer, steps of one atomic layer in height also exist on the cleaved Sb (111) surface. Formation of "unpaired" (111) planes on the surface leads to a local break of conditions of Peierls transition. STS experiment reveals higher local density of states (LDOS) measured for "unpaired" (111) planes in comparison with those for the double layer.
Spin polarized surface resonance bands in single layer Bi on Ge(1 1 1)

NASA Astrophysics Data System (ADS)

Bottegoni, F.; Calloni, A.; Bussetti, G.; Camera, A.; Zucchetti, C.; Finazzi, M.; Duò, L.; Ciccacci, F.

2016-05-01

The spin features of surface resonance bands in single layer Bi on Ge(1 1 1) are studied by means of spin- and angle-resolved photoemission spectroscopy and inverse photoemission spectroscopy. We characterize the occupied and empty surface states of Ge(1 1 1) and show that the deposition of one monolayer of Bi on Ge(1 1 1) leads to the appearance of spin-polarized surface resonance bands. In particular, the C 3v symmetry, which Bi adatoms adopt on Ge(1 1 1), allows for the presence of Rashba-like occupied and unoccupied electronic states around the \\overline{\\text{M}} point of the Bi surface Brillouin zone with a giant spin-orbit constant |{α\\text{R}}| =≤ft(1.4+/- 0.1\\right) eV · Å.
Inversion layer solar cell fabrication and evaluation. [etching on silicon films

NASA Technical Reports Server (NTRS)

Call, R. L.

1974-01-01

Inversion layer solar cells were fabricated by etching through the diffused layer on p-type silicon wafers in a comb-like contact pattern. The charge separation comes from an induced p-n junction at the surface. The inverted surface is caused by a layer of transparent material applied to the surface that either contains free positive ions or that creates donor states at the interface. Cells are increased from 3 ma I sub sc to 100 ma by application of sodium silicate. The action is unstable, however, and decays. Non-mesa contaminated oxide cells were fabricated with short circuit currents of over 100 ma measured in the sun. Cells of this type have demonstrated stability.
Atomic and electronic structure of the CdTe(111)B–(2√3 × 4) orthogonal surface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bekenev, V. L., E-mail: bekenev@ipms.kiev.ua; Zubkova, S. M.

2017-01-15

The atomic and electronic structure of four variants of Te-terminated CdTe(111)B–(2√3 × 4) orthogonal polar surface (ideal, relaxed, reconstructed, and reconstructed with subsequent relaxation) are calculated ab initio for the first time. The surface is modeled by a film composed of 12 atomic layers with a vacuum gap of ~16 Å in the layered superlattice approximation. To close Cd dangling bonds on the opposite side of the film, 24 fictitious hydrogen atoms with a charge of 1.5 electrons each are added. Ab initio calculations are performed using the Quantum Espresso program based on density functional theory. It is demonstrated thatmore » relaxation leads to splitting of the four upper layers. The band energy structures and total and layer-by-layer densities of electronic states for the four surface variants are calculated and analyzed.« less
Tribological properties of multifunctional coatings with Shape Memory Effect in abrasive wear

NASA Astrophysics Data System (ADS)

Blednova, Zh. M.; Dmitrenko, D. V.; Balaev, E. U. O.

2018-01-01

The article gives research results of the abrasive wear process on samples made of Steel 1045, U10 and with applied composite surface layer "Nickel-Multicomponent material with Shape Memory Effect (SME) based on TiNi". For the tests we have chosen TiNiZr, which is in the martensite state and TiNiHfCu, which is in the austenitic state at the test temperature. The formation of the surface layer was carried out by high-speed oxygen-fuel deposition in a protective atmosphere of argon. In the wear test, Al2O3 corundum powder was used as an abrasive. It is shown that the wear rate of samples with a composite surface layer of multicomponent materials with SME is significantly reduced in comparison with the base, which is explained by reversible phase transformations of the surface layer with SME. After carrying out the additional surface plastic deformation (SPD), the resistance of the laminated composition to abrasion wear has greatly enhanced, due to the reinforcing effect of the SPD. It is recommended for products working in conditions of abrasive wear and high temperatures to use the complex formation technology of the surface composition "steel-nickel-material with high-temperature SME", including preparation of the substrate surface and the deposited material, high-speed spraying in the protective atmosphere of argon, followed by SPD.
Simultaneous Conduction and Valence Band Quantization in Ultrashallow High-Density Doping Profiles in Semiconductors

NASA Astrophysics Data System (ADS)

Mazzola, F.; Wells, J. W.; Pakpour-Tabrizi, A. C.; Jackman, R. B.; Thiagarajan, B.; Hofmann, Ph.; Miwa, J. A.

2018-01-01

We demonstrate simultaneous quantization of conduction band (CB) and valence band (VB) states in silicon using ultrashallow, high-density, phosphorus doping profiles (so-called Si:P δ layers). We show that, in addition to the well-known quantization of CB states within the dopant plane, the confinement of VB-derived states between the subsurface P dopant layer and the Si surface gives rise to a simultaneous quantization of VB states in this narrow region. We also show that the VB quantization can be explained using a simple particle-in-a-box model, and that the number and energy separation of the quantized VB states depend on the depth of the P dopant layer beneath the Si surface. Since the quantized CB states do not show a strong dependence on the dopant depth (but rather on the dopant density), it is straightforward to exhibit control over the properties of the quantized CB and VB states independently of each other by choosing the dopant density and depth accordingly, thus offering new possibilities for engineering quantum matter.
Theoretical aspects of studies of oxide and semiconductor surfaces using low energy positrons

NASA Astrophysics Data System (ADS)

Fazleev, N. G.; Maddox, W. B.; Weiss, A. H.

2011-01-01

This paper presents the results of a theoretical study of positron surface and bulk states and annihilation characteristics of surface trapped positrons at the oxidized Cu(100) single crystal and at both As- and Ga-rich reconstructed GaAs(100) surfaces. The variations in atomic structure and chemical composition of the topmost layers of the surfaces associated with oxidation and reconstructions and the charge redistribution at the surfaces are found to affect localization and spatial extent of the positron surface-state wave functions. The computed positron binding energy, work function, and annihilation characteristics reveal their sensitivity to charge transfer effects, atomic structure and chemical composition of the topmost layers of the surfaces. Theoretical positron annihilation probabilities with relevant core electrons computed for the oxidized Cu(100) surface and the As- and Ga-rich reconstructed GaAs(100) surfaces are compared with experimental ones estimated from the positron annihilation induced Auger peak intensities measured from these surfaces.
Spectroscopic determination of surface geometry: Ti(0001)-H(1×1)

NASA Astrophysics Data System (ADS)

Feibelman, Peter J.; Hamann, D. R.

1980-02-01

The electronic structure of a Ti(0001) film covered by a monolayer of H is shown to depend strongly on the location of the H atom in the surface unit cell. Best agreement with experiment is found with the H's in three-fold sites, 0.8 a.u. outside the outer Ti layer. In this geometry the H atoms "heal" the surface-the clean Ti(0001) surface state near the Fermi level is removed and the outer layer d-like local density of states (LDOS) is quite similar to that of the interior. Additionally, the calculated work function is 4.0 eV and an H-derived peak in the calculated LDOS appears 5 eV below EF, in agreement with photoemission measurements.
Investigation of nanoparticulate silicon as printed layers using scanning electron microscopy, transmission electron microscopy, X-ray absorption spectroscopy and X-ray photoelectron spectroscopy

DOE PAGES

Unuigbe, David M.; Harting, Margit; Jonah, Emmanuel O.; ...

2017-08-21

The presence of native oxide on the surface of silicon nanoparticles is known to inhibit charge transport on the surfaces. Scanning electron microscopy (SEM) studies reveal that the particles in the printed silicon network have a wide range of sizes and shapes. High-resolution transmission electron microscopy reveals that the particle surfaces have mainly the (111)- and (100)-oriented planes which stabilizes against further oxidation of the particles. X-ray absorption spectroscopy (XANES) and X-ray photoelectron spectroscopy (XPS) measurements at the O 1s-edge have been utilized to study the oxidation and local atomic structure of printed layers of silicon nanoparticles which were milledmore » for different times. XANES results reveal the presence of the +4 (SiO 2) oxidation state which tends towards the +2 (SiO) state for higher milling times. Si 2pXPS results indicate that the surfaces of the silicon nanoparticles in the printed layers are only partially oxidized and that all three sub-oxide, +1 (Si 2O), +2 (SiO) and +3 (Si 2O 3), states are present. The analysis of the change in the sub-oxide peaks of the silicon nanoparticles shows the dominance of the +4 state only for lower milling times.« less
Confined Electroconvective and Flexoelectric Instabilities Deep in the Freedericksz State of Nematic CB7CB.

PubMed

Krishnamurthy, Kanakapura S; Palakurthy, Nani Babu; Yelamaggad, Channabasaveshwar V

2017-06-01

We report wormlike flexoelectric structures evolving deep in the Freedericksz state of a nematic layer of the liquid crystal cyanobiphenyl-(CH2) 7 -cyanobiphenyl. They form in the predominantly splay-bend thin boundary layers and are built up of solitary flexoelectric domains of the Bobylev-Pikin type. Their formation is possibly triggered by the gradient flexoelectric surface instability that remains optically discernible up to unusually high frequencies. The threshold voltage at which the worms form scales as square root of the frequency; in their extended state, worms often appear as labyrinthine structures on a section of loops that separate regions of opposite director deviation. Such asymmetric loops are also derived through pincement-like dissociation of ring-shaped walls. Formation of isolated domains of bulk electroconvection precedes the onset of surface instabilities. In essence, far above the Freedericksz threshold, the twisted nematic layer behaves as a combination of two orthogonally oriented planar half-layers destabilized by localized flexoelectric distortion.
A proposed physical model for the impregnated tungsten cathode based on Auger surface studies of the Ba-O-W system

NASA Technical Reports Server (NTRS)

Forman, R.

1979-01-01

Auger spectra and work function measurements are used to study the surface reactions between tungsten surface and adsorbed layers of barium, and barium and oxygen. The barium on an impregnated tungsten cathod seems to be an intermediate state, probably a coadsorbed barium-oxygen layer on tungsten. A slightly revised version of the previously suggested (1976) impregnated tungsten cathode model is proposed. This revised model assumes that the cathode surface during life has an adsorbed surface layer of a monolayer or less of both barium and oxygen on the surface. At end of life, steep drop in electron emission and resultant cathode failure occur. Recent NASA life test results on TWT type tubes are reported and explained by the proposed model.
Superhydrophobic alumina surface based on stearic acid modification

NASA Astrophysics Data System (ADS)

Feng, Libang; Zhang, Hongxia; Mao, Pengzhi; Wang, Yanping; Ge, Yang

2011-02-01

A novel superhydrophobic alumina surface is fabricated by grafting stearic acid layer onto the porous and roughened aluminum film. The chemical and phase structure, morphology, and the chemical state of the atoms at the superhydrophobic surface were investigated by techniques as FTIR, XRD, FE-SEM, and XPS, respectively. Results show that a super water-repellent surface with a contact angle of 154.2° is generated. The superhydrophobic alumina surface takes on an uneven flowerlike structure with many nanometer-scale hollows distribute in the nipple-shaped protrusions, and which is composed of boehmite crystal and γ-Al2O3. Furthermore, the roughened and porous alumina surface is coated with a layer of hydrophobic alkyl chains which come from stearic acid molecules. Therefore, both the roughened structure and the hydrophobic layer endue the alumina surface with the superhydrophobic behavior.
Effect of gold subsurface layer on the surface activity and segregation in Pt/Au/Pt3M (where M = 3d transition metals) alloy catalyst from first-principles.

PubMed

Kim, Chang-Eun; Lim, Dong-Hee; Jang, Jong Hyun; Kim, Hyoung Juhn; Yoon, Sung Pil; Han, Jonghee; Nam, Suk Woo; Hong, Seong-Ahn; Soon, Aloysius; Ham, Hyung Chul

2015-01-21

The effect of a subsurface hetero layer (thin gold) on the activity and stability of Pt skin surface in Pt3M system (M = 3d transition metals) is investigated using the spin-polarized density functional theory calculation. First, we find that the heterometallic interaction between the Pt skin surface and the gold subsurface in Pt/Au/Pt3M system can significantly modify the electronic structure of the Pt skin surface. In particular, the local density of states projected onto the d states of Pt skin surface near the Fermi level is drastically decreased compared to the Pt/Pt/Pt3M case, leading to the reduction of the oxygen binding strength of the Pt skin surface. This modification is related to the increase of surface charge polarization of outmost Pt skin atoms by the electron transfer from the gold subsurface atoms. Furthermore, a subsurface gold layer is found to cast the energetic barrier to the segregation loss of metal atoms from the bulk (inside) region, which can enhance the durability of Pt3M based catalytic system in oxygen reduction condition at fuel cell devices. This study highlights that a gold subsurface hetero layer can provide an additional mean to tune the surface activity toward oxygen species and in turn the oxygen reduction reaction, where the utilization of geometric strain already reaches its practical limit.
Analysis of in-flight boundary-layer state measurements on a subsonic transport wing in high-lift configuration

NASA Technical Reports Server (NTRS)

vanDam, C. P.; Los, S. M.; Miley, S. J.; Yip, L. P.; Banks, D. W.; Roback, V. E.; Bertelrud, A.

1995-01-01

Flight experiments on NASA Langley's B737-100 (TSRV) airplane have been conducted to document flow characteristics in order to further the understanding of high-lift flow physics, and to correlate and validate computational predictions and wind-tunnel measurements. The project is a cooperative effort involving NASA, industry, and universities. In addition to focusing on in-flight measurements, the project includes extensive application of various computational techniques, and correlation of flight data with computational results and wind-tunnel measurements. Results obtained in the most recent phase of flight experiments are analyzed and presented in this paper. In-flight measurements include surface pressure distributions, measured using flush pressure taps and pressure belts on the slats, main element, and flap elements; surface shear stresses, measured using Preston tubes; off-surface velocity distributions, measured using shear-layer rakes; aeroelastic deformations of the flap elements, measured using an optical positioning system; and boundary-layer transition phenomena, measured using hot-film anemometers and an infrared imaging system. The analysis in this paper primarily focuses on changes in the boundary-layer state that occurred on the slats, main element, and fore flap as a result of changes in flap setting and/or flight condition. Following a detailed description of the experiment, the boundary-layer state phenomenon will be discussed based on data measured during these recent flight experiments.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ivanov, Yuri, E-mail: yufi55@mail.ru; National Research Tomsk State University, 36 Lenina Str., Tomsk, 634050; National Research Tomsk Polytechnic University, 30 Lenina Str., Tomsk, 634050

The present work is devoted to numerical simulation of temperature fields and the analysis of structural and strength properties of the samples surface layer of boron carbide ceramics treated by the high-current pulsed electron-beam of the submillisecond duration. The samples made of sintered boron carbide ceramics are used in these investigations. The problem of calculating the temperature field is reduced to solving the thermal conductivity equation. The electron beam density ranges between 8…30 J/cm{sup 2}, while the pulse durations are 100…200 μs in numerical modelling. The results of modelling the temperature field allowed ascertaining the threshold parameters of the electronmore » beam, such as energy density and pulse duration. The electron beam irradiation is accompanied by the structural modification of the surface layer of boron carbide ceramics either in the single-phase (liquid or solid) or two-phase (solid-liquid) states. The sample surface of boron carbide ceramics is treated under the two-phase state (solid-liquid) conditions of the structural modification. The surface layer is modified by the high-current pulsed electron-beam produced by SOLO installation at the Institute of High Current Electronics of the Siberian Branch of the Russian Academy of Sciences, Tomsk, Russia. The elemental composition and the defect structure of the modified surface layer are analyzed by the optical instrument, scanning electron and transmission electron microscopes. Mechanical properties of the modified layer are determined measuring its hardness and crack resistance. Research results show that the melting and subsequent rapid solidification of the surface layer lead to such phenomena as fragmentation due to a crack network, grain size reduction, formation of the sub-grained structure due to mechanical twinning, and increase of hardness and crack resistance.« less
The structure and properties of boron carbide ceramics modified by high-current pulsed electron-beam

NASA Astrophysics Data System (ADS)

Ivanov, Yuri; Tolkachev, Oleg; Petyukevich, Maria; Teresov, Anton; Ivanova, Olga; Ikonnikova, Irina; Polisadova, Valentina

2016-01-01

The present work is devoted to numerical simulation of temperature fields and the analysis of structural and strength properties of the samples surface layer of boron carbide ceramics treated by the high-current pulsed electron-beam of the submillisecond duration. The samples made of sintered boron carbide ceramics are used in these investigations. The problem of calculating the temperature field is reduced to solving the thermal conductivity equation. The electron beam density ranges between 8…30 J/cm2, while the pulse durations are 100…200 μs in numerical modelling. The results of modelling the temperature field allowed ascertaining the threshold parameters of the electron beam, such as energy density and pulse duration. The electron beam irradiation is accompanied by the structural modification of the surface layer of boron carbide ceramics either in the single-phase (liquid or solid) or two-phase (solid-liquid) states. The sample surface of boron carbide ceramics is treated under the two-phase state (solid-liquid) conditions of the structural modification. The surface layer is modified by the high-current pulsed electron-beam produced by SOLO installation at the Institute of High Current Electronics of the Siberian Branch of the Russian Academy of Sciences, Tomsk, Russia. The elemental composition and the defect structure of the modified surface layer are analyzed by the optical instrument, scanning electron and transmission electron microscopes. Mechanical properties of the modified layer are determined measuring its hardness and crack resistance. Research results show that the melting and subsequent rapid solidification of the surface layer lead to such phenomena as fragmentation due to a crack network, grain size reduction, formation of the sub-grained structure due to mechanical twinning, and increase of hardness and crack resistance.
Parasitic oscillation suppression in solid state lasers using optical coatings

DOEpatents

Honea, Eric C.; Beach, Raymond J.

2005-06-07

A laser gain medium having a layered coating on at least certain surfaces of the laser gain medium. The layered coating having a reflective inner material and an absorptive scattering outside material.
Studies of heat source driven natural convection. Ph.D. Thesis. Technical Report, Jul. 1974 - Aug. 1975

NASA Technical Reports Server (NTRS)

Kulacki, F. A.; Emara, A. A.

1975-01-01

Natural convection energy transport in a horizontal layer of internally heated fluid was measured for Rayleigh numbers from 1890 to 2.17 x 10 to the 12th power. The fluid layer is bounded below by a rigid zero-heat-flux surface and above by a rigid constant-temperature surface. Joule heating by an alternating current passing horizontally through the layer provides the uniform volumetric energy source. The overall steady-state heat transfer coefficient at the upper surface was determined by measuring the temperature difference across the layer and power input to the fluid. The correlation between the Nusselt and Rayleigh numbers for the data of the present study and the data of the Kulacki study is given.
Burnishing rolling process of the surface prepared in the turning process

NASA Astrophysics Data System (ADS)

Kulakowska, Agnieszka; Kukielka, Leon; Kaldunski, Pawel; Bohdal, Lukasz; Patyk, Radoslaw; Chodor, Jaroslaw; Kukielka, Krzysztof

2018-05-01

The aim of this article is to demonstrate the possibility of using burnishing rolling process as the technology of product development. The experimental researches were carried out, showing the ability to form the surface layer of the product with the desired properties. First, during turning rolling the surfaces of the samples were prepared. Then, the surfaces were burnished. The influence of turning process on the state of the surface layer parameters of C45 steel shafts are shown. Among the examined aspects the surface roughness, nano-roughness, material bearing, surface microstructure, metallographic structure were considered. Numerical simulation were conducted. Conclusions from the experiments and simulation were given.
Reaction Heterogeneity in LiNi 0.8 Co 0.15 Al 0.05 O 2 Induced by Surface Layer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grenier, Antonin; Liu, Hao; Wiaderek, Kamila M.

2017-08-15

Through operando synchrotron powder X-ray diffraction (XRD) analysis of layered transition metal oxide electrodes of composition LiNi0.8Co0.15Al0.05O2 (NCA), we decouple the intrinsic bulk reaction mechanism from surface-induced effects. For identically prepared and cycled electrodes stored in different environments, we demonstrate that the intrinsic bulk reaction for pristine NCA follows solid-solution mechanism, not a two-phase as suggested previously. By combining high resolution powder X-ray diffraction, diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and surface sensitive X-ray photoelectron spectroscopy (XPS), we demonstrate that adventitious Li2CO3 forms on the electrode particle surface during exposure to air, through reaction with atmospheric CO2. This surfacemore » impedes ionic and electronic transport to the underlying electrode, with progressive erosion of this layer during cycling giving rise to different reaction states in particles with an intact vs an eroded Li2CO3 surface-coating. This reaction heterogeneity, with a bimodal distribution of reaction states, has previously been interpreted as a “two-phase” reaction mechanism for NCA, as an activation step that only occurs during the first cycle. Similar surface layers may impact the reaction mechanism observed in other electrode materials using bulk probes such as operando powder XRD.« less
Anticipating land surface change

PubMed Central

Streeter, Richard; Dugmore, Andrew J.

2013-01-01

The interplay of human actions and natural processes over varied spatial and temporal scales can result in abrupt transitions between contrasting land surface states. Understanding these transitions is a key goal of sustainability science because they can represent abrupt losses of natural capital. This paper recognizes flickering between alternate land surface states in advance of threshold change and critical slowing down in advance of both threshold changes and noncritical transformation. The early warning signals we observe are rises in autocorrelation, variance, and skewness within millimeter-resolution thickness measurements of tephra layers deposited in A.D. 2010 and A.D. 2011. These signals reflect changing patterns of surface vegetation, which are known to provide early warning signals of critical transformations. They were observed toward migrating soil erosion fronts, cryoturbation limits, and expanding deflation zones, thus providing potential early warning signals of land surface change. The record of the spatial patterning of vegetation contained in contemporary tephra layers shows how proximity to land surface change could be assessed in the widespread regions affected by shallow layers of volcanic fallout (those that can be subsumed within the existing vegetation cover). This insight shows how we could use tephra layers in the stratigraphic record to identify “near misses,” close encounters with thresholds that did not lead to tipping points, and thus provide additional tools for archaeology, sustainability science, and contemporary land management. PMID:23530230
Evidence of a reduction reaction of oxidized iron/cobalt by boron atoms diffused toward naturally oxidized surface of CoFeB layer during annealing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sato, Soshi, E-mail: sato.soshi@cies.tohoku.ac.jp; Honjo, Hiroaki; Niwa, Masaaki

2015-04-06

We have investigated the redox reaction on the surface of Ta/CoFeB/MgO/CoFeB magnetic tunnel junction stack samples after annealing at 300, 350, and 400 °C for 1 h using angle-resolved X-ray photoelectron spectroscopy for precise analysis of the chemical bonding states. At a capping tantalum layer thickness of 1 nm, both the capping tantalum layer and the surface of the underneath CoFeB layer in the as-deposited stack sample were naturally oxidized. By comparison of the Co 2p and Fe 2p spectra among the as-deposited and annealed samples, reduction of the naturally oxidized cobalt and iron atoms occurred on the surface of the CoFeB layer.more » The reduction reaction was more significant at higher annealing temperature. Oxidized cobalt and iron were reduced by boron atoms that diffused toward the surface of the top CoFeB layer. A single CoFeB layer was prepared on SiO{sub 2}, and a confirmatory evidence of the redox reaction with boron diffusion was obtained by angle-resolved X-ray photoelectron spectroscopy analysis of the naturally oxidized surface of the CoFeB single layer after annealing. The redox reaction is theoretically reasonable based on the Ellingham diagram.« less
A scheme for computing surface layer turbulent fluxes from mean flow surface observations

NASA Technical Reports Server (NTRS)

Hoffert, M. I.; Storch, J.

1978-01-01

A physical model and computational scheme are developed for generating turbulent surface stress, sensible heat flux and humidity flux from mean velocity, temperature and humidity at some fixed height in the atmospheric surface layer, where conditions at this reference level are presumed known from observations or the evolving state of a numerical atmospheric circulation model. The method is based on coupling the Monin-Obukov surface layer similarity profiles which include buoyant stability effects on mean velocity, temperature and humidity to a force-restore formulation for the evolution of surface soil temperature to yield the local values of shear stress, heat flux and surface temperature. A self-contained formulation is presented including parameterizations for solar and infrared radiant fluxes at the surface. Additional parameters needed to implement the scheme are the thermal heat capacity of the soil per unit surface area, surface aerodynamic roughness, latitude, solar declination, surface albedo, surface emissivity and atmospheric transmissivity to solar radiation.
AlxGa1-xAs Single-Quantum-Well Surface-Emitting Lasers

NASA Technical Reports Server (NTRS)

Kim, Jae H.

1992-01-01

Surface-emitting solid-state laser contains edge-emitting Al0.08Ga0.92As single-quantum-well (SQW) active layer sandwiched between graded-index-of-refraction separate-confinement-heterostructure (GRINSCH) layers of AlxGa1-xAs, includes etched 90 degree mirrors and 45 degree facets to direct edge-emitted beam perpendicular to top surface. Laser resembles those described in "Pseudomorphic-InxGa1-xAs Surface-Emitting Lasers" (NPO-18243). Suitable for incorporation into optoelectronic integrated circuits for photonic computing; e.g., optoelectronic neural networks.
Structure and hemocompatibility of nanocrystalline titanium nitride produced under glow-discharge conditions

NASA Astrophysics Data System (ADS)

Sowińska, Agnieszka; Czarnowska, Elżbieta; Tarnowski, Michał; Witkowska, Justyna; Wierzchoń, Tadeusz

2018-04-01

Significant efforts are being made towards developing novel antithrombotic materials. The purpose of the presented study was to characterize two variants of nitrided surface layers produced on alloy Ti-6Al-4V in different areas of low-temperature plasma - at the plasma potential (TiNp) or at the cathode potential (TiNc). The layers were characterized in terms of their microstructure, surface topography and wettability, and platelet response to the environment of different pH. The produced layers were of the TiN + Ti2N + αTiN-type, but the layer produced at the plasma potential was thinner, smoother and had lower surface free energy compared with that produced at the cathode potential. Biological evaluation demonstrated more fibrinogen buildup, less platelet adhesion and aggregation, and fewer strongly activated platelets on the TiNp surface compared with those parameters on the TiNc surface and on the titanium alloy in its initial state. Interestingly, both surface types were significantly resistant to fibrinogen adsorption and platelet adhesion in the environment of lower pH. In conclusion, the nitrided surface layer produced at the plasma potential is a promising material and this basic information is critical for further development of hemocompatible materials.
Controlled surface oxidation of multi-layered graphene anode to increase hole injection efficiency in organic electronic devices

NASA Astrophysics Data System (ADS)

Han, Tae-Hee; Kwon, Sung-Joo; Seo, Hong-Kyu; Lee, Tae-Woo

2016-03-01

Ultraviolet ozone (UVO) surface treatment of graphene changes its sp2-hybridized carbons to sp3-bonded carbons, and introduces oxygen-containing components. Oxidized graphene has a finite energy band gap, so UVO modification of the surface of a four-layered graphene anode increases its surface ionization potential up to ∼5.2 eV and improves the hole injection efficiency (η) in organic electronic devices by reducing the energy barrier between the graphene anode and overlying organic layers. By controlling the conditions of the UVO treatment, the electrical properties of the graphene can be tuned to improve η. This controlled surface modification of the graphene will provide a way to achieve efficient and stable flexible displays and solid-state lighting.
Control of single-electron charging of metallic nanoparticles onto amorphous silicon surface.

PubMed

Weis, Martin; Gmucová, Katarína; Nádazdy, Vojtech; Capek, Ignác; Satka, Alexander; Kopáni, Martin; Cirák, Július; Majková, Eva

2008-11-01

Sequential single-electron charging of iron oxide nanoparticles encapsulated in oleic acid/oleyl amine envelope and deposited by the Langmuir-Blodgett technique onto Pt electrode covered with undoped hydrogenated amorphous silicon film is reported. Single-electron charging (so-called quantized double-layer charging) of nanoparticles is detected by cyclic voltammetry as current peaks and the charging effect can be switched on/off by the electric field in the surface region induced by the excess of negative/positive charged defect states in the amorphous silicon layer. The particular charge states in amorphous silicon are created by the simultaneous application of a suitable bias voltage and illumination before the measurement. The influence of charged states on the electric field in the surface region is evaluated by the finite element method. The single-electron charging is analyzed by the standard quantized double layer model as well as two weak-link junctions model. Both approaches are in accordance with experiment and confirm single-electron charging by tunnelling process at room temperature. This experiment illustrates the possibility of the creation of a voltage-controlled capacitor for nanotechnology.
Surface States in the AlxGa1-xN Barrier in AlxGa1-xN/GaN Heterostructures

NASA Astrophysics Data System (ADS)

Liu, Jie; Shen, Bo; Wang, Mao-Jun; Zhou, Yu-Gang; Chen, Dun-Jun; Zhang, Rong; Shi, Yi; Zheng, You-Dou

2004-01-01

Frequency-dependent capacitance-voltage (C-V) measurements have been performed on modulation-doped Al0.22 Ga0.78N/GaN heterostructures to investigate the characteristics of the surface states in the AlxGa1-xN barrier. Numerical fittings based on the experimental data indicate that there are surface states with high density locating on the AlxGa1-xN barrier. The density of the surface states is about 1012 cm-2eV-1, and the time constant is about 1 mus. It is found that an insulating layer (Si3N4) between the metal contact and the surface of AlxGa1-xN can passivate the surface states effectively.
Layer speciation and electronic structure investigation of freestanding hexagonal boron nitride nanosheets

NASA Astrophysics Data System (ADS)

WangEqual Contribution To This Work., Jian; Wang, Zhiqiang; Cho, Hyunjin; Kim, Myung Jong; Sham, T. K.; Sun, Xuhui

2015-01-01

Chemical imaging, thickness mapping, layer speciation and polarization dependence have been performed on single and multilayered (up to three layers and trilayered nanosheets overlapping to form 6 and 9 layers) hexagonal boron nitride (hBN) nanosheets by scanning transmission X-ray microscopy. Spatially-resolved XANES directly from freestanding regions of different layers has been extracted and compared with sample normal and 30° tilted configurations. Notably a double feature σ* excitonic state and a stable high energy σ* state were observed at the boron site in addition to the intense π* excitonic state. The boron projected σ* DOS, especially the first σ* exciton, is sensitive to surface modification, particularly in the single layered hBN nanosheet which shows more significant detectable contaminants and defects such as tri-coordinated boron/nitrogen oxide. The nitrogen site has shown very weak or no excitonic character. The distinct excitonic effect on boron and nitrogen was interpreted to the partly ionic state of hBN. Bulk XANES of hBN nanosheets was also measured to confirm the spectro-microscopic STXM result. Finally, the unoccupied electronic structures of hBN and graphene were compared.Chemical imaging, thickness mapping, layer speciation and polarization dependence have been performed on single and multilayered (up to three layers and trilayered nanosheets overlapping to form 6 and 9 layers) hexagonal boron nitride (hBN) nanosheets by scanning transmission X-ray microscopy. Spatially-resolved XANES directly from freestanding regions of different layers has been extracted and compared with sample normal and 30° tilted configurations. Notably a double feature σ* excitonic state and a stable high energy σ* state were observed at the boron site in addition to the intense π* excitonic state. The boron projected σ* DOS, especially the first σ* exciton, is sensitive to surface modification, particularly in the single layered hBN nanosheet which shows more significant detectable contaminants and defects such as tri-coordinated boron/nitrogen oxide. The nitrogen site has shown very weak or no excitonic character. The distinct excitonic effect on boron and nitrogen was interpreted to the partly ionic state of hBN. Bulk XANES of hBN nanosheets was also measured to confirm the spectro-microscopic STXM result. Finally, the unoccupied electronic structures of hBN and graphene were compared. Electronic supplementary information (ESI) available. See DOI: 10.1039/c4nr04445b
Self-Assembled Layering of Magnetic Nanoparticles in a Ferrofluid on Silicon Surfaces.

PubMed

Theis-Bröhl, Katharina; Vreeland, Erika C; Gomez, Andrew; Huber, Dale L; Saini, Apurve; Wolff, Max; Maranville, Brian B; Brok, Erik; Krycka, Kathryn L; Dura, Joseph A; Borchers, Julie A

2018-02-07

This article describes the three-dimensional self-assembly of monodisperse colloidal magnetite nanoparticles (NPs) from a dilute water-based ferrofluid onto a silicon surface and the dependence of the resultant magnetic structure on the applied field. The NPs assemble into close-packed layers on the surface followed by more loosely packed ones. The magnetic field-dependent magnetization of the individual NP layers depends on both the rotational freedom of the layer and the magnetization of the adjacent layers. For layers in which the NPs are more free to rotate, the easy axis of the NP can readily orient along the field direction. In more dense packing, free rotation of the NPs is hampered, and the NP ensembles likely build up quasi-domain states to minimize energy, which leads to lower magnetization in those layers. Detailed analysis of polarized neutron reflectometry data together with model calculations of the arrangement of the NPs within the layers and input from small-angle scattering measurements provide full characterization of the core/shell NP dimensions, degree of chaining, arrangement of the NPs within the different layers, and magnetization depth profile.
Preliminary results of the North American Soil Geochemical Landscapes Project, northeast United States and Maritime Provinces of Canada

USGS Publications Warehouse

Grunsky, Eric C.; Smith, David B.; Friske, Peter W.B.; Woodruff, Laurel G.

2009-01-01

The results of a soil geochemical survey of the Canadian Maritime provinces and the northeast states of the United States are described. The data presented are for the <2-mm fraction of the surface layer (0-5 cm depth) and C horizons of the soil. Elemental determinations were made by ICP-MS following two digestions, aqua regia (partial dissolution) and a strong 4-acid mixture (near-total dissolution). The preliminary results show that Hg and Pb exhibit elevated abundances in the surface layer, while As and Ni exhibit abundances that can be attributed to the geological provenance of the soil parent materials.
Determination of outer layer and bulk dehydration kinetics of trehalose dihydrate using atomic force microscopy, gravimetric vapour sorption and near infrared spectroscopy.

PubMed

Jones, Matthew D; Beezer, Anthony E; Buckton, Graham

2008-10-01

Knowledge of the kinetics of solid state reactions is important when considering the stability of many medicines. Potentially, such reactions could follow different kinetics on the surface of particles when compared with their interior, yet solid state processes are routinely followed using only bulk characterisation techniques. Atomic force microscopy (AFM) has previously been shown to be a suitable technique for the investigation of surface processes, but has not been combined with bulk techniques in order to analyse surface and bulk kinetics separately. This report therefore describes the investigation of the outer layer and bulk kinetics of the dehydration of trehalose dihydrate at ambient temperature and low humidity, using AFM, dynamic vapour sorption (DVS) and near infrared spectroscopy (NIR). The use of AFM enabled the dehydration kinetics of the outer layers to be determined both directly and from bulk data. There were no significant differences between the outer layer dehydration kinetics determined using these methods. AFM also enabled the bulk-only kinetics to be analysed from the DVS and NIR data. These results suggest that the combination of AFM and bulk characterisation techniques should enable a more complete understanding of the kinetics of certain solid state reactions to be achieved. (c) 2008 Wiley-Liss, Inc. and the American Pharmacists Association
Prediction of weak and strong topological insulators in layered semiconductors.

NASA Astrophysics Data System (ADS)

Felser, Claudia

2013-03-01

We investigate a new class of ternary materials such as LiAuSe and KHgSb with a honeycomb structure in Au-Se and Hg-Sb layers. We demonstrate the band inversion in these materials similar to HgTe, which is a strong precondition for existence of the topological surface states. In contrast with graphene, these materials exhibit strong spin-orbit coupling and a small direct band gap at the point. Since these materials are centrosymmetric, it is straightforward to determine the parity of their wave functions, and hence their topological character. Surprisingly, the compound with strong spin-orbit coupling (KHgSb) is trivial, whereas LiAuSe is found to be a topological insulator. However KHgSb is a weak topological insulators in case of an odd number of layers in the primitive unit cell. Here, the single-layered KHgSb shows a large bulk energy gap of 0.24 eV. Its side surface hosts metallic surface states, forming two anisotropic Dirac cones. Although the stacking of even-layered structures leads to trivial insulators, the structures can host a quantum spin Hall layer with a large bulk gap, if an additional single layer exists as a stacking fault in the crystal. The reported honeycomb compounds can serve as prototypes to aid in the finding of new weak topological insulators in layered small-gap semiconductors. In collaboration with Binghai Yan, Lukas Müchler, Hai-Jun Zhang, Shou-Cheng Zhang and Jürgen Kübler.
Quantum size effects on the (0001) surface of double hexagonal close packed americium

NASA Astrophysics Data System (ADS)

Gao, D.; Ray, A. K.

2007-01-01

Electronic structures of double hexagonal close-packed americium and the (0001) surface have been studied via full-potential all-electron density-functional calculations with a mixed APW+lo/LAPW basis. The electronic and geometric properties of bulk dhcp Am as well as quantum size effects in the surface energies and the work functions of the dhcp Am (0001) ultra thin films up to seven layers have been examined at nonmagnetic, ferromagnetic, and antiferromagnetic configurations with and without spin orbit coupling. The anti-ferromagnetic state including spin-orbit coupling is found to be the ground state of dhcp Am with the 5f electrons primarily localized. Our results show that both magnetic configurations and spin-orbit coupling play important roles in determining the equilibrium lattice constant, the bulk modulus as well as the localized feature of 5f electrons for dhcp Am. Our calculated equilibrium lattice constant and bulk modulus at the ground state are in good agreement with the experimental values respectively. The work function of dhcp Am (0001) 7-layer surface at the ground state is predicted to be 2.90 eV. The surface energy for dhcp Am (0001) semi-infinite surface energy at the ground state is predicted to be 0.84 J/m2. Quantum size effects are found to be more pronounced in work functions than in surface energies.

High Reynolds number rough wall turbulent boundary layer experiments using Braille surfaces

NASA Astrophysics Data System (ADS)

Harris, Michael; Monty, Jason; Nova, Todd; Allen, James; Chong, Min

2007-11-01

This paper details smooth, transitional and fully rough turbulent boundary layer experiments in the New Mexico State high Reynolds number rough wall wind tunnel. The initial surface tested was generated with a Braille printer and consisted of an uniform array of Braille points. The average point height being 0.5mm, the spacing between the points in the span was 0.5mm and the surface consisted of span wise rows separated by 4mm. The wavelength to peak ratio was 8:1. The boundary layer thickness at the measurement location was 190mm giving a large separation of roughness height to layer thickness. The maximum friction velocity was uτ=1.5m/s at Rex=3.8 x10^7. Results for the skin friction co-efficient show that this surface follows a Nikuradse type inflectional curve and that Townsends outer layer similarity hypothesis is valid for rough wall flows with a large separation of scales. Mean flow and turbulence statistics will be presented.
A means to estimate thermal and kinetic parameters of coal dust layer from hot surface ignition tests.

PubMed

Park, Haejun; Rangwala, Ali S; Dembsey, Nicholas A

2009-08-30

A method to estimate thermal and kinetic parameters of Pittsburgh seam coal subject to thermal runaway is presented using the standard ASTM E 2021 hot surface ignition test apparatus. Parameters include thermal conductivity (k), activation energy (E), coupled term (QA) of heat of reaction (Q) and pre-exponential factor (A) which are required, but rarely known input values to determine the thermal runaway propensity of a dust material. Four different dust layer thicknesses: 6.4, 12.7, 19.1 and 25.4mm, are tested, and among them, a single steady state dust layer temperature profile of 12.7 mm thick dust layer is used to estimate k, E and QA. k is calculated by equating heat flux from the hot surface layer and heat loss rate on the boundary assuming negligible heat generation in the coal dust layer at a low hot surface temperature. E and QA are calculated by optimizing a numerically estimated steady state dust layer temperature distribution to the experimentally obtained temperature profile of a 12.7 mm thick dust layer. Two unknowns, E and QA, are reduced to one from the correlation of E and QA obtained at criticality of thermal runaway. The estimated k is 0.1 W/mK matching the previously reported value. E ranges from 61.7 to 83.1 kJ/mol, and the corresponding QA ranges from 1.7 x 10(9) to 4.8 x 10(11)J/kg s. The mean values of E (72.4 kJ/mol) and QA (2.8 x 10(10)J/kg s) are used to predict the critical hot surface temperatures for other thicknesses, and good agreement is observed between measured and experimental values. Also, the estimated E and QA ranges match the corresponding ranges calculated from the multiple tests method and values reported in previous research.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Topp, Andreas; Queiroz, Raquel; Grüneis, Andreas

In this work, we present a model of the surface states of nonsymmorphic semimetals. These are derived from surface mass terms that lift the high degeneracy imposed in the band structure by the nonsymmorphic bulk symmetries. Reflecting the reduced symmetry at the surface, the bulk bands are strongly modified. This leads to the creation of two-dimensional floating bands, which are distinct from Shockley states, quantum well states or topologically protected surface states. We focus on the layered semimetal ZrSiS to clarify the origin of its surface states. We demonstrate an excellent agreement between DFT calculations and ARPES measurements and presentmore » an effective four-band model in which similar surface bands appear. Finally, we emphasize the role of the surface chemical potential by comparing the surface density of states in samples with and without potassium coating. Our findings can be extended to related compounds and generalized to other crystals with nonsymmorphic symmetries.« less
Study of the amorphization of surface silicon layers implanted by low-energy helium ions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lomov, A. A., E-mail: lomov@ftian.ru; Myakon’kikh, A. V.; Oreshko, A. P.

2016-03-15

The structural changes in surface layers of Si(001) substrates subjected to plasma-immersion implantation by (2–5)-keV helium ions to a dose of D = 6 × 10{sup 15}–5 × 10{sup 17} cm{sup –2} have been studied by highresolution X-ray diffraction, Rutherford backscattering, and spectral ellipsometry. It is found that the joint application of these methods makes it possible to determine the density depth distribution ρ(z) in an implanted layer, its phase state, and elemental composition. Treatment of silicon substrates in helium plasma to doses of 6 × 10{sup 16} cm{sup –2} leads to the formation of a 20- to 30-nm-thick amorphizedmore » surface layer with a density close to the silicon density. An increase in the helium dose causes the formation of an internal porous layer.« less
Modification of the contact surfaces for improving the puncture resistance of laminar structures.

PubMed

Wang, Pengfei; Yang, Jinglei; Li, Xin; Liu, Mao; Zhang, Xin; Sun, Dawei; Bao, Chenlu; Gao, Guangfa; Yahya, Mohd Yazid; Xu, Songlin

2017-07-26

Uncovering energy absorption and surface effects of various penetrating velocities on laminar structures is essential for designing protective structures. In this study, both quasi-static and dynamic penetration tests were systematical conducted on the front surfaces of metal sheets coated with a graphene oxide (GO) solution and other media. The addition of a GO fluid film to the front impact surface aided in increasing the penetration strength, improving the failure extension and dissipating additional energy under a wide-range of indentation velocity, from 3.33 × 10 -5 m/s to 4.42 m/s. The coated -surfaces improved the specific energy dissipation by approximately 15~40% relative to the dry-contact configuration for both single-layer and double-layer configurations, and specific energy dissipations of double-layer configurations were 20~30% higher than those of the single-layer configurations. This treatment provides a facile strategy in changing the contact state for improving the failure load and dissipate additional energy.
Slow-muon study of quaternary solar-cell materials: Single layers and p -n junctions

NASA Astrophysics Data System (ADS)

Alberto, H. V.; Vilão, R. C.; Vieira, R. B. L.; Gil, J. M.; Weidinger, A.; Sousa, M. G.; Teixeira, J. P.; da Cunha, A. F.; Leitão, J. P.; Salomé, P. M. P.; Fernandes, P. A.; Törndahl, T.; Prokscha, T.; Suter, A.; Salman, Z.

2018-02-01

Thin films and p -n junctions for solar cells based on the absorber materials Cu (In ,G a ) Se2 and Cu2ZnSnS4 were investigated as a function of depth using implanted low energy muons. The most significant result is a clear decrease of the formation probability of the Mu+ state at the heterojunction interface as well as at the surface of the Cu (In ,G a ) Se2 film. This reduction is attributed to a reduced bonding reaction of the muon in the absorber defect layer at its surface. In addition, the activation energies for the conversion from a muon in an atomiclike configuration to a anion-bound position are determined from temperature-dependence measurements. It is concluded that the muon probe provides a measurement of the effective surface defect layer width, both at the heterojunctions and at the films. The CIGS surface defect layer is crucial for solar-cell electrical performance and additional information can be used for further optimizations of the surface.
Geological evidence for solid-state convection in Europa's ice shell.

PubMed

Pappalardo, R T; Head, J W; Greeley, R; Sullivan, R J; Pilcher, C; Schubert, G; Moore, W B; Carr, M H; Moore, J M; Belton, M J; Goldsby, D L

1998-01-22

The ice-rich surface of the jovian satellite Europa is sparsely cratered, suggesting that this moon might be geologically active today. Moreover, models of the satellite's interior indicate that tidal interactions with Jupiter might produce enough heat to maintain a subsurface liquid water layer. But the mechanisms of interior heat loss and resurfacing are currently unclear, as is the question of whether Europa has (or had at one time) a liquid water ocean. Here we report on the morphology and geological interpretation of distinct surface features-pits, domes and spots-discovered in high-resolution images of Europa obtained by the Galileo spacecraft. The features are interpreted as the surface manifestation of diapirs, relatively warm localized ice masses that have risen buoyantly through the subsurface. We find that the formation of the features can be explained by thermally induced solid-state convection within an ice shell, possibly overlying a liquid water layer. Our results are consistent with the possibility that Europa has a liquid water ocean beneath a surface layer of ice, but further tests and observations are needed to demonstrate this conclusively.
Geological evidence for solid-state convection in Europa's ice shell

USGS Publications Warehouse

Pappalardo, R.T.; Head, J.W.; Greeley, R.; Sullivan, R.J.; Pilcher, C.; Schubert, G.; Moore, W.B.; Carr, M.H.; Moore, Johnnie N.; Belton, M.J.S.; Goldsby, D.L.

1998-01-01

The ice-rich surface of the jovian satellite Europa is sparsely cratered, suggesting that this moon might be geologically active today. Moreover, models of the satellite's interior indicate that tidal interactions with Jupiter might produce enough heat to maintain a subsurface liquid water layer. But the mechanisms of interior heat loss and resurfacing are currently unclear, as is the question of whether Europa has (or had at one time) a liquid water ocean. Here we report on the morphology and geological interpretation of distinct surface features-pits, domes and spots-discovered in high-resolution images of Europa obtained by the Galileo spacecraft. The features are interpreted as the surface manifestation of diapirs, relatively warm localized ice masses that have risen buoyantly through the subsurface. We find that the formation of the features can be explained by thermally induced solid-state convection within an ice shell, possibly overlying a liquid water layer. Our results are consistent with the possibility that Europa has a liquid water ocean beneath a surface layer of ice, but further tests and observations are needed to demonstrate this conclusively.
Identification marking by means of laser peening

DOEpatents

Hackel, Lloyd A.; Dane, C. Brent; Harris, Fritz

2002-01-01

The invention is a method and apparatus for marking components by inducing a shock wave on the surface that results in an indented (strained) layer and a residual compressive stress in the surface layer. One embodiment of the laser peenmarking system rapidly imprints, with single laser pulses, a complete identification code or three-dimensional pattern and leaves the surface in a state of deep residual compressive stress. A state of compressive stress in parts made of metal or other materials is highly desirable to make them resistant to fatigue failure and stress corrosion cracking. This process employs a laser peening system and beam spatial modulation hardware or imaging technology that can be setup to impress full three dimensional patterns into metal surfaces at the pulse rate of the laser, a rate that is at least an order of magnitude faster than competing marking technologies.
Prediction of weak topological insulators in layered semiconductors.

PubMed

Yan, Binghai; Müchler, Lukas; Felser, Claudia

2012-09-14

We report the discovery of weak topological insulators by ab initio calculations in a honeycomb lattice. We propose a structure with an odd number of layers in the primitive unit cell as a prerequisite for forming weak topological insulators. Here, the single-layered KHgSb is the most suitable candidate for its large bulk energy gap of 0.24 eV. Its side surface hosts metallic surface states, forming two anisotropic Dirac cones. Although the stacking of even-layered structures leads to trivial insulators, the structures can host a quantum spin Hall layer with a large bulk gap, if an additional single layer exists as a stacking fault in the crystal. The reported honeycomb compounds can serve as prototypes to aid in the finding of new weak topological insulators in layered small-gap semiconductors.
Investigation of the surface sensitivity of positron-annihilation-induced Auger-electron spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mehl, D.R.

1990-01-01

The first surface sensitivity studies of positron-annihilation-induced Auger-electron spectroscopy (PAES) are presented. Preliminary measurements on polycrystalline Al with adsorbates indicate that PAES is more selective of the surface than conventional electron-induced Auger electron spectroscopy (EAES). PAES and EAES studies of well-defined overlayer-metal systems of Cu(110)+S and Cu(110)+Cs verify that PAES is selective of the top atomic layer. This surface selectivity is accounted for by theoretical calculations which indicate that the positron surface state is displaced away from the substrate by the over-layer, decreasing the annihilation rate of positrons with substrate core electrons.
Surface acoustic waves in one-dimensional piezoelectric-metallic phononic crystal: Effect of a cap layer.

PubMed

Alami, M; El Boudouti, E H; Djafari-Rouhani, B; El Hassouani, Y; Talbi, A

2018-06-18

We study the propagation of transverse acoustic waves associated with the surface of a semi-infinite superlattice (SL) composed of piezoelectric-metallic layers and capped with a piezoelectric layer. We present closed-form expressions for localized surface waves, the so-called Bleustein-Gulyaev (BG) waves depending on whether the cap layer is open-circuited or short-circuited. These expressions are obtained by means of the Green's function method which enables to deduce also the densities of states. These theoretical results are illustrated by a few numerical applications to SLs made of piezoelectric layers of hexagonal symmetry belonging to the 6 mm class such as PZT4 and ZnO in contact with metallic layers such as Fe, Al, Au, Cu and boron-doped-diamond. We demonstrate a rule about the existence of surface modes when considering two complementary semi-infinite SLs obtained by the cleavage of an infinite SL along a plane parallel to the piezoelectric layers. Indeed, when the surface layers are open-circuited, one obtains one surface mode per gap, this mode is associated with one of the two complementary SLs. However, when the surface layers are short-circuited, this rule is not fulfilled and one can obtain zero, one or two modes inside each gap of the two complementary SLs depending on the position of the plane where the cleavage is produced. We show that in addition to the BG surface waves localized at the surface of the cap layer, there may exist true guided waves and pseudo-guided waves (i.e. leaky waves) induced by the cap layer either inside the gaps or inside the bands of the SL respectively. Also, we highlight the possibility of existence of interface modes between the SL and a cap layer as well as an interaction between these modes and the BG surface mode when both modes fall in the same band gaps of the SL. The strength of the interaction depends on the width of the cap layer. Finally, we show that the electromechanical coupling coefficient (ECC) is very sensitive to the cap layer thickness, in particular we calculate and discuss the behavior of the ECC as a function of the adlayer thickness for the low velocity surface modes of the SL which exhibit the highest ECC values. The effect of the nature of the metallic layers inside the SL on the ECC is also investigated. The different surface modes discussed in this work should have applications in sensing applications. Copyright © 2018. Published by Elsevier B.V.
Polymer-Based Surfaces Designed to Reduce Biofilm Formation: From Antimicrobial Polymers to Strategies for Long-Term Applications.

PubMed

Riga, Esther K; Vöhringer, Maria; Widyaya, Vania Tanda; Lienkamp, Karen

2017-10-01

Contact-active antimicrobial polymer surfaces bear cationic charges and kill or deactivate bacteria by interaction with the negatively charged parts of their cell envelope (lipopolysaccharides, peptidoglycan, and membrane lipids). The exact mechanism of this interaction is still under debate. While cationic antimicrobial polymer surfaces can be very useful for short-term applications, they lose their activity once they are contaminated by a sufficiently thick layer of adhering biomolecules or bacterial cell debris. This layer shields incoming bacteria from the antimicrobially active cationic surface moieties. Besides discussing antimicrobial surfaces, this feature article focuses on recent strategies that were developed to overcome the contamination problem. This includes bifunctional materials with simultaneously presented antimicrobial and protein-repellent moieties; polymer surfaces that can be switched from an antimicrobial, cell-attractive to a cell-repellent state; polymer surfaces that can be regenerated by enzyme action; degradable antimicrobial polymers; and antimicrobial polymer surfaces with removable top layers. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Localized versus itinerant states created by multiple oxygen vacancies in SrTiO3

NASA Astrophysics Data System (ADS)

Jeschke, Harald O.; Shen, Juan; Valentí, Roser

2015-02-01

Oxygen vacancies in strontium titanate surfaces (SrTiO3) have been linked to the presence of a two-dimensional electron gas with unique behavior. We perform a detailed density functional theory study of the lattice and electronic structure of SrTiO3 slabs with multiple oxygen vacancies, with a main focus on two vacancies near a titanium dioxide terminated SrTiO3 surface. We conclude based on total energies that the two vacancies preferably inhabit the first two layers, i.e. they cluster vertically, while in the direction parallel to the surface, the vacancies show a weak tendency towards equal spacing. Analysis of the nonmagnetic electronic structure indicates that oxygen defects in the surface TiO2 layer lead to population of Ti {{t}2g} states and thus itinerancy of the electrons donated by the oxygen vacancy. In contrast, electrons from subsurface oxygen vacancies populate Ti eg states and remain localized on the two Ti ions neighboring the vacancy. We find that both the formation of a bound oxygen-vacancy state composed of hybridized Ti 3eg and 4p states neighboring the oxygen vacancy as well as the elastic deformation after extracting oxygen contribute to the stabilization of the in-gap state.
Quantifying the Impact of Background Atmospheric Stability on Air-Ice-Ocean Interactions the Arctic Ocean During the Fall Freeze-Up

NASA Astrophysics Data System (ADS)

Guest, P. S.; Persson, O. P. G.; Blomquist, B.; Fairall, C. W.

2016-02-01

"Background" stability refers to the effect of vertical virtual temperature variations above the surface layer on fluxes within the surface layer. This is different from the classical surface layer stability quantified by the Obhukhov length scale. In most locations, changes in the background stability do not have a significant direct impact on surface fluxes. However in polar regions, where there is usually a strong low-level temperature inversion capping the boundary layer, changes in background stability can have big impacts on surface fluxes. Therefore, in the Arctic, there is potential for a positive feedback effect between ice cover and surface wind speed (and momentum flux) due to the background stability effects. As the surface becomes more ice free, heat fluxes from the surface weaken the temperature inversion which in turn increases the surface wind speed which further increases the surface turbulent heat fluxes and removes more sea ice by melting or advection. It is not clear how important feedbacks involving the background stability are during the fall freeze up of the Arctic Ocean; that will be the focus of this study. As part of an ONR-sponsored cruise in the fall of 2015 to examine sea state and boundary layer processes in the Beaufort Sea on the R/V Sikuliaq, the authors will perform a variety of surface layer and upper level atmospheric measurements of temperature, humidity and wind vector using ship platform instruments, radiosonde weather balloons, tethered balloons, kites, and miniature quad-rotor unmanned aerial vehicles. In addition, the authors will deploy a full suite of turbulent and radiational flux measurements from the vessel. These measurements will be used to quantify the impact of changing surface conditions on atmospheric structure and vice-versa. The goal is to directly observe how the surface and atmosphere above the surface layer interact and feedback with each other through radiational and turbulent fluxes.
Predicting Hidden bulk phases in Sr3Ru2O7 from surface phases

NASA Astrophysics Data System (ADS)

Rivero, Pablo; Chen, Chen; Jin, Roying; Meunier, Vincent; Plummer, E. W.; Shelton, William

Double-layered Sr3Ru2O7 has received phenomenal attention as it exhibits an overabundance of exotic phases when perturbed. Recently it has been shown that the surface of this material displays significantly different properties than in the bulk due to the surface induced tilt of the RuO6 octahedra. Here we report detailed first principles calculations of the surface structure, and the structure property relationship. Tilt of the octahedra drive the surface into a much less conducting state than in the bulk due in part to the different electronic properties of the two Ru atoms in the first RuO2 layer of the bilayer. The broken symmetry at the surface causes a tilt and enhanced rotation of the octahedra only present in the first (surface) bilayer. Theoretically the surface is ferromagnetically ordered but the stability with respect to the antiferromagnetic phase is small ( = 11 meV). We have calculated the bulk properties under uniaxial pressure, which induces a tilt and drives the bulk into an antiferromagnetic-insulating state. Support of this project came from DoE contract No. DE-SCOO12432 and the Louisiana Board of Regents. V. M. acknowledges support from New York State under NYSTAR program C080117.
The BLLAST field experiment: Boundary-Layer Late Afternoon and Sunset Turbulence

NASA Astrophysics Data System (ADS)

Lothon, M.; Lohou, F.; Pino, D.; Couvreux, F.; Pardyjak, E. R.; Reuder, J.; Vilà-Guerau de Arellano, J.; Durand, P.; Hartogensis, O.; Legain, D.; Augustin, P.; Gioli, B.; Lenschow, D. H.; Faloona, I.; Yagüe, C.; Alexander, D. C.; Angevine, W. M.; Bargain, E.; Barrié, J.; Bazile, E.; Bezombes, Y.; Blay-Carreras, E.; van de Boer, A.; Boichard, J. L.; Bourdon, A.; Butet, A.; Campistron, B.; de Coster, O.; Cuxart, J.; Dabas, A.; Darbieu, C.; Deboudt, K.; Delbarre, H.; Derrien, S.; Flament, P.; Fourmentin, M.; Garai, A.; Gibert, F.; Graf, A.; Groebner, J.; Guichard, F.; Jiménez, M. A.; Jonassen, M.; van den Kroonenberg, A.; Magliulo, V.; Martin, S.; Martinez, D.; Mastrorillo, L.; Moene, A. F.; Molinos, F.; Moulin, E.; Pietersen, H. P.; Piguet, B.; Pique, E.; Román-Cascón, C.; Rufin-Soler, C.; Saïd, F.; Sastre-Marugán, M.; Seity, Y.; Steeneveld, G. J.; Toscano, P.; Traullé, O.; Tzanos, D.; Wacker, S.; Wildmann, N.; Zaldei, A.

2014-10-01

Due to the major role of the sun in heating the earth's surface, the atmospheric planetary boundary layer over land is inherently marked by a diurnal cycle. The afternoon transition, the period of the day that connects the daytime dry convective boundary layer to the night-time stable boundary layer, still has a number of unanswered scientific questions. This phase of the diurnal cycle is challenging from both modelling and observational perspectives: it is transitory, most of the forcings are small or null and the turbulence regime changes from fully convective, close to homogeneous and isotropic, toward a more heterogeneous and intermittent state. These issues motivated the BLLAST (Boundary-Layer Late Afternoon and Sunset Turbulence) field campaign that was conducted from 14 June to 8 July 2011 in southern France, in an area of complex and heterogeneous terrain. A wide range of instrumented platforms including full-size aircraft, remotely piloted aircraft systems, remote-sensing instruments, radiosoundings, tethered balloons, surface flux stations and various meteorological towers were deployed over different surface types. The boundary layer, from the earth's surface to the free troposphere, was probed during the entire day, with a focus and intense observation periods that were conducted from midday until sunset. The BLLAST field campaign also provided an opportunity to test innovative measurement systems, such as new miniaturized sensors, and a new technique for frequent radiosoundings of the low troposphere. Twelve fair weather days displaying various meteorological conditions were extensively documented during the field experiment. The boundary-layer growth varied from one day to another depending on many contributions including stability, advection, subsidence, the state of the previous day's residual layer, as well as local, meso- or synoptic scale conditions. Ground-based measurements combined with tethered-balloon and airborne observations captured the turbulence decay from the surface throughout the whole boundary layer and documented the evolution of the turbulence characteristic length scales during the transition period. Closely integrated with the field experiment, numerical studies are now underway with a complete hierarchy of models to support the data interpretation and improve the model representations.
Why surface chemistry matters for QD–QD resonance energy transfer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hoffman, Jacob B.; Alam, Rabeka; Kamat, Prashant V.

Resonance energy transfer (RET) has been shown to occur in films of semiconductor quantum dots (QDs) with variation in QD composition and size. When coupled with charge carrier transfer, RET could provide a complementary strategy for light harvesting in QD based solid state photovoltaic devices. Due to a direct dependence on the optical properties of the donor and acceptor, QD surface chemistry plays a drastic role in determining the efficiency of RET. Here, the impact of QD surface chemistry on RET in QD films was investigated using a pair of different sized CdSe QDs spin-cast onto a glass substrate. Themore » effects of QD surface passivation on RET were studied by removing surface ligands through QD washing and adding an insulating ZnS shell. In addition, QD films were subjected to solid state ligand exchanges with thiolated ligands in order to mimic a layer-by-layer deposition method commonly used in the construction of QD photovoltaics. These solid state ligand exchanges exhibit drastic quenching of RET in the films. As a result, these experiments highlight the importance of understanding surface chemistry when designing photovoltaics that utilize RET.« less
Why surface chemistry matters for QD–QD resonance energy transfer

DOE PAGES

Hoffman, Jacob B.; Alam, Rabeka; Kamat, Prashant V.

2017-01-12

Resonance energy transfer (RET) has been shown to occur in films of semiconductor quantum dots (QDs) with variation in QD composition and size. When coupled with charge carrier transfer, RET could provide a complementary strategy for light harvesting in QD based solid state photovoltaic devices. Due to a direct dependence on the optical properties of the donor and acceptor, QD surface chemistry plays a drastic role in determining the efficiency of RET. Here, the impact of QD surface chemistry on RET in QD films was investigated using a pair of different sized CdSe QDs spin-cast onto a glass substrate. Themore » effects of QD surface passivation on RET were studied by removing surface ligands through QD washing and adding an insulating ZnS shell. In addition, QD films were subjected to solid state ligand exchanges with thiolated ligands in order to mimic a layer-by-layer deposition method commonly used in the construction of QD photovoltaics. These solid state ligand exchanges exhibit drastic quenching of RET in the films. As a result, these experiments highlight the importance of understanding surface chemistry when designing photovoltaics that utilize RET.« less
Surfactant properties of oxygen in the homoepitaxial growth of Fe: a MDS study

NASA Astrophysics Data System (ADS)

Moroni, R.; Bisio, F.; Gussoni, A.; Canepa, M.; Mattera, L.

2001-06-01

The growth of ultra thin iron films (up to a thickness of 5-6 ML) on O(1×1)-Fe/Ag(0 0 1) has been investigated by means of He reflectivity ( RHe) and metastable de-excitation spectroscopy. The presence of oxygen induces a quasi-ideal layer-by-layer growth at variance with the case of the homoepitaxial growth of iron on Fe(0 0 1). The surface electronic density of states suddenly changes upon the deposition of the first half of a monolayer. After the sudden change in the first stages of the growth, the surface density of states of both O 2p and Fe 3d states remains essentially unchanged, irrespectively of the thickness of the deposited film. This provides a clear indication that oxygen floats at the surface acting as a surfactant for the growth of iron on O(1×1)-Fe/Ag(0 0 1). The stationary fraction of oxygen that remains on the topmost layer as growth proceeds depends on the substrate temperature. Post-growth annealing up to 650 K restores the initial coverage of oxygen and the ordered O(1×1) phase.

Investigation of Trap States in AlInN/AlN/GaN Heterostructures by Frequency-Dependent Admittance Analysis

NASA Astrophysics Data System (ADS)

Arslan, Engin; Bütün, Serkan; Şafak, Yasemin; Ozbay, Ekmel

2010-12-01

We present a systematic study on the admittance characterization of surface trap states in unpassivated and SiN x -passivated Al0.83In0.17N/AlN/GaN heterostructures. C- V and G/ ω- V measurements were carried out in the frequency range of 1 kHz to 1 MHz, and an equivalent circuit model was used to analyze the experimental data. A detailed analysis of the frequency-dependent capacitance and conductance data was performed, assuming models in which traps are located at the metal-AlInN surface. The density ( D t) and time constant ( τ t) of the surface trap states have been determined as a function of energy separation from the conduction-band edge ( E c - E t). The D st and τ st values of the surface trap states for the unpassivated samples were found to be D_{{st}} \\cong (4 - 13) × 10^{12} {eV}^{ - 1} {cm}^{ - 2} and τ st ≈ 3 μs to 7 μs, respectively. For the passivated sample, D st decreased to 1.5 × 10^{12} {eV}^{ - 1} {cm}^{ - 2} and τ st to 1.8 μs to 2 μs. The density of surface trap states in Al0.83In0.17N/AlN/GaN heterostructures decreased by approximately one order of magnitude with SiN x passivation, indicating that the SiN x insulator layer between the metal contact and the surface of the Al0.83In0.17N layer can passivate surface states.
Striped, honeycomb, and twisted moiré patterns in surface adsorption systems with highly degenerate commensurate ground states

NASA Astrophysics Data System (ADS)

Elder, K. R.; Achim, C. V.; Granato, E.; Ying, S. C.; Ala-Nissila, T.

2017-11-01

Atomistically thin adsorbate layers on surfaces with a lattice mismatch display complex spatial patterns and ordering due to strain-driven self-organization. In this work, a general formalism to model such ultrathin adsorption layers that properly takes into account the competition between strain and adhesion energy of the layers is presented. The model is based on the amplitude expansion of the two-dimensional phase field crystal (PFC) model, which retains atomistic length scales but allows relaxation of the layers at diffusive time scales. The specific systems considered here include cases where both the film and the adsorption potential can have either honeycomb (H) or triangular (T) symmetry. These systems include the so-called (1 ×1 ) , (√{3 }×√{3 }) R 30∘ , (2 ×2 ) , (√{7 }×√{7 }) R 19 .1∘ , and other higher order states that can contain a multitude of degenerate commensurate ground states. The relevant phase diagrams for many combinations of the H and T systems are mapped out as a function of adhesion strength and misfit strain. The coarsening patterns in some of these systems is also examined. The predictions are in good agreement with existing experimental data for selected strained ultrathin adsorption layers.
Density Functional Theory Calculations Revealing Metal-like Band Structures for Ultrathin Ge {111} and {211} Surface Layers.

PubMed

Tan, Chih-Shan; Huang, Michael Hsuan-Yi

2018-05-21

To find out if germanium should also possess facet-dependent electrical conductivity properties, surface state density functional theory (DFT) calculations were performed on 1-6 layers of Ge (100), (110), (111), and (211) planes. Tunable Ge (100) and (110) planes always present the same semiconducting band structure with a band gap of 0.67 eV expected of bulk germanium. In contrast, 1, 2, 4, and 5 layers of Ge (111) and (211) plane models show metal-like band structures with continuous density of states (DOS) throughout the entire band. For 3 and 6 layers of Ge (111) and (211) plane models, the normal semiconducting band structure was obtained. The plane layers with metal-like band structures also show Ge-Ge bond length deviations and bond distortions, as well as significantly different 4s and 4p frontier orbital electron count and their relative percentages integrated over the valence and conduction bands from those of the semiconducting state. These differences should contribute to strikingly dissimilar band structures. The calculation results suggest observation of facet-dependent electrical conductivity properties of germanium materials, and transistors made of germanium may also need to consider the facet effects with shrinking dimensions approaching 3 nm. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
[Analysis of heat transfer in the biological tissue layer with distributed system of blood vessels].

PubMed

Bogatov, N M; Pelipenko, O N

2005-09-01

Processes of heat transfer in the skin layer with blood vessels were investigated using mathematical modeling. Analysis of influence of a pathological state of blood vessels on heterogeneity of thermal field of the skin surface was carried out. For each site of body surface, there is a certain difference of temperature between normal and pathological sites, being specific for differential diagnosis of diseases of dermal and hypodermic vessels.
Comparative study of the interfaces of graphene and hexagonal boron nitride with silver

NASA Astrophysics Data System (ADS)

Garnica, Manuela; Schwarz, Martin; Ducke, Jacob; He, Yuanqin; Bischoff, Felix; Barth, Johannes V.; Auwärter, Willi; Stradi, Daniele

2016-10-01

Silver opens up interesting perspectives in the fabrication of complex systems based on heteroepitaxial layers after the growth of a silicene layer on its (111) face has been proposed. In this work we explore different synthesis methods of hexagonal boron nitride (h -BN) and graphene sheets on silver. The resulting layers have been examined by high-resolution scanning tunneling microscopy. A comparison of the interfacial electronic band structure upon growth of the distinct two-dimensional (2D) layers has been performed by scanning tunneling spectroscopy and complementary first-principle calculations. We demonstrate that the adsorption of the 2D layers has an effect on the binding energy of the Shockley state and the surface potential by lowering the local work function. These effects are larger in the case of graphene where the surface state of Ag(111) is depopulated due to charge transfer to the graphene. Furthermore, we show that the electronic properties of the h -BN/silver system can be tuned by employing different thicknesses of silver ranging from a few monolayers on Cu(111) to the single crystal Ag substrate.
Amorphous surface layer versus transient amorphous precursor phase in bone - A case study investigated by solid-state NMR spectroscopy.

PubMed

Von Euw, Stanislas; Ajili, Widad; Chan-Chang, Tsou-Hsi-Camille; Delices, Annette; Laurent, Guillaume; Babonneau, Florence; Nassif, Nadine; Azaïs, Thierry

2017-09-01

The presence of an amorphous surface layer that coats a crystalline core has been proposed for many biominerals, including bone mineral. In parallel, transient amorphous precursor phases have been proposed in various biomineralization processes, including bone biomineralization. Here we propose a methodology to investigate the origin of these amorphous environments taking the bone tissue as a key example. This study relies on the investigation of a bone tissue sample and its comparison with synthetic calcium phosphate samples, including a stoichiometric apatite, an amorphous calcium phosphate sample, and two different biomimetic apatites. To reveal if the amorphous environments in bone originate from an amorphous surface layer or a transient amorphous precursor phase, a combined solid-state nuclear magnetic resonance (NMR) experiment has been used. The latter consists of a double cross polarization 1 H→ 31 P→ 1 H pulse sequence followed by a 1 H magnetization exchange pulse sequence. The presence of an amorphous surface layer has been investigated through the study of the biomimetic apatites; while the presence of a transient amorphous precursor phase in the form of amorphous calcium phosphate particles has been mimicked with the help of a physical mixture of stoichiometric apatite and amorphous calcium phosphate. The NMR results show that the amorphous and the crystalline environments detected in our bone tissue sample belong to the same particle. The presence of an amorphous surface layer that coats the apatitic core of bone apatite particles has been unambiguously confirmed, and it is certain that this amorphous surface layer has strong implication on bone tissue biogenesis and regeneration. Questions still persist on the structural organization of bone and biomimetic apatites. The existing model proposes a core/shell structure, with an amorphous surface layer coating a crystalline bulk. The accuracy of this model is still debated because amorphous calcium phosphate (ACP) environments could also arise from a transient amorphous precursor phase of apatite. Here, we provide an NMR spectroscopy methodology to reveal the origin of these ACP environments in bone mineral or in biomimetic apatite. The 1 H magnetization exchange between protons arising from amorphous and crystalline domains shows unambiguously that an ACP layer coats the apatitic crystalline core of bone et biomimetic apatite platelets. Copyright © 2017 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
Characteristics of Boundary Layer Transition in a Multi-Stage Low-Pressure Turbine

NASA Technical Reports Server (NTRS)

Wisler, Dave; Halstead, David E.; Okiishi, Ted

2007-01-01

An experimental investigation of boundary layer transition in a multi-stage turbine has been completed using surface-mounted hot-film sensors. Tests were carried out using the two-stage Low Speed Research Turbine of the Aerodynamics Research Laboratory of GE Aircraft Engines. Blading in this facility models current, state-of-the-art low pressure turbine configurations. The instrumentation technique involved arrays of densely-packed hot-film sensors on the surfaces of second stage rotor and nozzle blades. The arrays were located at mid-span on both the suction and pressure surfaces. Boundary layer measurements were acquired over a complete range of relevant Reynolds numbers. Data acquisition capabilities provided means for detailed data interrogation in both time and frequency domains. Data indicate that significant regions of laminar and transitional boundary layer flow exist on the rotor and nozzle suction surfaces. Evidence of relaminarization both near the leading edge of the suction surface and along much of the pressure surface was observed. Measurements also reveal the nature of the turbulent bursts occuring within and between the wake segments convecting through the blade row. The complex character of boundary layer transition resulting from flow unsteadiness due to nozzle/nozzle, rotor/nozzle, and nozzle/rotor wake interactions are elucidated using these data. These measurements underscore the need to provide turbomachinery designers with models of boundary layer transition to facilitate accurate prediction of aerodynamic loss and heat transfer.
Thermodynamic origin of surface melting on ice crystals

PubMed Central

Murata, Ken-ichiro; Asakawa, Harutoshi; Nagashima, Ken; Furukawa, Yoshinori; Sazaki, Gen

2016-01-01

Since the pioneering prediction of surface melting by Michael Faraday, it has been widely accepted that thin water layers, called quasi-liquid layers (QLLs), homogeneously and completely wet ice surfaces. Contrary to this conventional wisdom, here we both theoretically and experimentally demonstrate that QLLs have more than two wetting states and that there is a first-order wetting transition between them. Furthermore, we find that QLLs are born not only under supersaturated conditions, as recently reported, but also at undersaturation, but QLLs are absent at equilibrium. This means that QLLs are a metastable transient state formed through vapor growth and sublimation of ice, casting a serious doubt on the conventional understanding presupposing the spontaneous formation of QLLs in ice–vapor equilibrium. We propose a simple but general physical model that consistently explains these aspects of surface melting and QLLs. Our model shows that a unique interfacial potential solely controls both the wetting and thermodynamic behavior of QLLs. PMID:27791107
Experimental and Numerical Analysis of Microstructures and Stress States of Shot-Peened GH4169 Superalloys

NASA Astrophysics Data System (ADS)

Hu, Dianyin; Gao, Ye; Meng, Fanchao; Song, Jun; Wang, Rongqiao

2018-04-01

Combining experiments and finite element analysis (FEA), a systematic study was performed to analyze the microstructural evolution and stress states of shot-peened GH4169 superalloy over a variety of peening intensities and coverages. A dislocation density evolution model was integrated into the representative volume FEA model to quantitatively predict microstructural evolution in the surface layers and compared with experimental results. It was found that surface roughness and through-depth residual stress profile are more sensitive to shot-peening intensity compared to coverage due to the high kinetic energy involved. Moreover, a surface nanocrystallization layer was discovered in the top surface region of GH4169 for all shot-peening conditions. However, the grain refinement was more intensified under high shot-peening coverage, under which enough time was permitted for grain refinement. The grain size gradient predicted by the numerical framework showed good agreement with experimental observations.
Surface Layering Near Room Temperature in a Nonmetallic Liquid

NASA Astrophysics Data System (ADS)

Chattopadhyay, Sudeshna; Stripe, Benjamin; Shively, Patrick; Evmenenko, Geunnadi; Dutta, Pulak; Ehrlich, Steven; Mo, Haiding

2009-03-01

Oscillatory density profiles (layers) have been observed at the free surfaces of many liquid metals at and above room temperature [1]. A surface-layered state has been previously reported only in one dielectric liquid, tetrakis(2-ethylhexoxy)silane (TEHOS), and only at lower temperatures [2]. We have used x-ray reflectivity to study a molecular liquid, pentaphenyl trimethyl trisiloxane. Below T˜ 267K (well above the freezing point for this liquid), density oscillations appear at the surface. This liquid has a higher Tc (˜1200K) than TEHOS (˜950K), so that layers appear at T/Tc 0.2 in both cases. Our results indicate that surface order is a universal phenomenon in both metallic and dielectric liquids, and that the underlying physics is likely to be the same since layers always appear at T<˜0.2Tc as theoretically predicted [3] [3pt] REFERENCES: [0pt] [1]. e.g. O. M. Magnussen et al., Phys. Rev. Lett. 74, 4444 (1995) [0pt] [2]. H. Mo et al. Phys. Rev. Lett. 96, 096107 (2006); Phys. Rev. B 76, 024206 (2007) [0pt] [3]. e.g. E. Chac'on et al., Phys. Rev. Lett. 87, 166101 (2001)
Rational design of atomic-layer-deposited LiFePO4 as a high-performance cathode for lithium-ion batteries.

PubMed

Liu, Jian; Banis, Mohammad N; Sun, Qian; Lushington, Andrew; Li, Ruying; Sham, Tsun-Kong; Sun, Xueliang

2014-10-08

Atomic layer deposition is successfully applied to synthesize lithium iron phosphate in a layer-by-layer manner by using self-limiting surface reactions. The lithium iron phosphate exhibits high power density, excellent rate capability, and ultra-long lifetime, showing great potential for vehicular lithium batteries and 3D all-solid-state microbatteries. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Steady-state solution growth of microcrystalline silicon on nanocrystalline seed layers on glass

NASA Astrophysics Data System (ADS)

Bansen, R.; Ehlers, C.; Teubner, Th.; Boeck, T.

2016-09-01

The growth of polycrystalline silicon layers on glass from tin solutions at low temperatures is presented. This approach is based on the steady-state solution growth of Si crystallites on nanocrystalline seed layers, which are prepared in a preceding process step. Scanning electron microscopy and atomic force microscopy investigations reveal details about the seed layer surfaces, which consist of small hillocks, as well as about Sn inclusions and gaps along the glass substrate after solution growth. The successful growth of continuous microcrystalline Si layers with grain sizes up to several ten micrometers shows the feasibility of the process and makes it interesting for photovoltaics. Project supported by the German Research Foundation (DFG) (No. BO 1129/5-1).
Oxidative Corrosion of the UO 2 (001) Surface by Nonclassical Diffusion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stubbs, Joanne E.; Biwer, Craig A.; Chaka, Anne M.

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 themore » 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).« less
Solid state radiative heat pump

DOEpatents

Berdahl, Paul H.

1986-01-01

A solid state radiative heat pump (10, 50, 70) operable at room temperature (300.degree. K.) utilizes a semiconductor having a gap energy in the range of 0.03-0.25 eV and operated reversibly to produce an excess or deficit of charge carriers as compared to thermal equilibrium. In one form of the invention (10, 70) an infrared semiconductor photodiode (21, 71) is used, with forward or reverse bias, to emit an excess or deficit of infrared radiation. In another form of the invention (50), a homogeneous semiconductor (51) is subjected to orthogonal magnetic and electric fields to emit an excess or deficit of infrared radiation. Three methods of enhancing transmission of radiation through the active surface of the semiconductor are disclosed. In one method, an anti-reflection layer (19) is coated into the active surface (13) of the semiconductor (11), the anti-reflection layer (19) having an index of refraction equal to the square root of that of the semiconductor (11). In the second method, a passive layer (75) is spaced from the active surface (73) of the semiconductor (71) by a submicron vacuum gap, the passive layer having an index of refractive equal to that of the semiconductor. In the third method, a coupler (91) with a paraboloid reflecting surface (92) is in contact with the active surface (13, 53) of the semiconductor (11, 51), the coupler having an index of refraction about the same as that of the semiconductor.
Synthesis and Adsorption Properties of 4-Vinylpyridine and Styrene Copolymer In Situ Immobilized on Silica Surface

NASA Astrophysics Data System (ADS)

Yanovska, E. S.; Vretik, L. O.; Nikolaeva, O. A.; Polonska, Y.; Sternik, D.; Kichkiruk, O. Yu.

2017-03-01

Copolymer of 4-vinylpyridine with styrene was in situ immobilized on silica gel surface via the heterogeneous radical polymerization. Anchorage of the copolymer on the surface layer was confirmed by IR spectroscopy. The quantity of copolymer on the silica gel surface was evaluated as 25.73 wt.% by TG and DSC-MS analysis. "Islet" location of polymer layer on the silica surface was confirmed by the scanning electron microscopy. A high adsorption activity of silica gel with immobilized copolymer towards microquantitatives of Cu(II), Cd(II), Pb(II), Fe(III), and Ni(II) ions in steady state conditions as well as of Ni(II) ions in dynamic regime was found.
Synthesis and Adsorption Properties of 4-Vinylpyridine and Styrene Copolymer In Situ Immobilized on Silica Surface.

PubMed

Yanovska, E S; Vretik, L O; Nikolaeva, O A; Polonska, Y; Sternik, D; Kichkiruk, O Yu

2017-12-01

Copolymer of 4-vinylpyridine with styrene was in situ immobilized on silica gel surface via the heterogeneous radical polymerization. Anchorage of the copolymer on the surface layer was confirmed by IR spectroscopy. The quantity of copolymer on the silica gel surface was evaluated as 25.73 wt.% by TG and DSC-MS analysis. "Islet" location of polymer layer on the silica surface was confirmed by the scanning electron microscopy. A high adsorption activity of silica gel with immobilized copolymer towards microquantitatives of Cu(II), Cd(II), Pb(II), Fe(III), and Ni(II) ions in steady state conditions as well as of Ni(II) ions in dynamic regime was found.
Ferroelectric triggering of carbon monoxide adsorption on lead zirco-titanate (001) surfaces

PubMed Central

Tănase, Liviu Cristian; Apostol, Nicoleta Georgiana; Abramiuc, Laura Elena; Tache, Cristian Alexandru; Hrib, Luminița; Trupină, Lucian; Pintilie, Lucian; Teodorescu, Cristian Mihail

2016-01-01

Atomically clean lead zirco-titanate PbZr0.2Ti0.8O3 (001) layers exhibit a polarization oriented inwards P(−), visible by a band bending of all core levels towards lower binding energies, whereas as introduced layers exhibit P(+) polarization under air or in ultrahigh vacuum. The magnitude of the inwards polarization decreases when the temperature is increased at 700 K. CO adsorption on P(−) polarized surfaces saturates at about one quarter of a monolayer of carbon, and occurs in both molecular (oxidized) and dissociated (reduced) states of carbon, with a large majority of reduced state. The sticking of CO on the surface in ultrahigh vacuum is found to be directly related to the P(−) polarization state of the surface. A simple electrostatic mechanism is proposed to explain these dissociation processes and the sticking of carbon on P(−) polarized areas. Carbon desorbs also when the surface is irradiated with soft X-rays. Carbon desorption when the polarization is lost proceeds most probably in form of CO2. Upon carbon desorption cycles, the ferroelectric surface is depleted in oxygen and at some point reverses its polarization, owing to electrons provided by oxygen vacancies which are able to screen the depolarization field produced by positive fixed charges at the surface. PMID:27739461
Geologic Surface Effects of Underground Nuclear Testing, Buckboard Mesa, Climax Stock, Dome Mountain, Frenchman Flat, Rainier/Aqueduct Mesa, and Shoshone Mountain, Nevada Test Site, Nevada

USGS Publications Warehouse

Grasso, Dennis N.

2003-01-01

Surface effects maps were produced for 72 of 89 underground detonations conducted at the Frenchman Flat, Rainier Mesa and Aqueduct Mesa, Climax Stock, Shoshone Mountain, Buckboard Mesa, and Dome Mountain testing areas of the Nevada Test Site between August 10, 1957 (Saturn detonation, Area 12) and September 18, 1992 (Hunters Trophy detonation, Area 12). The ?Other Areas? Surface Effects Map Database, which was used to construct the maps shown in this report, contains digital reproductions of these original maps. The database is provided in both ArcGIS (v. 8.2) geodatabase format and ArcView (v. 3.2) shapefile format. This database contains sinks, cracks, faults, and other surface effects having a combined (cumulative) length of 136.38 km (84.74 mi). In GIS digital format, the user can view all surface effects maps simultaneously, select and view the surface effects of one or more sites of interest, or view specific surface effects by area or site. Three map layers comprise the database. They are: (1) the surface effects maps layer (oase_n27f), (2) the bar symbols layer (oase_bar_n27f), and (3) the ball symbols layer (oase_ball_n27f). Additionally, an annotation layer, named 'Ball_and_Bar_Labels,' and a polygon features layer, named 'Area12_features_poly_n27f,' are contained in the geodatabase version of the database. The annotation layer automatically labels all 295 ball-and-bar symbols shown on these maps. The polygon features layer displays areas of ground disturbances, such as rock spall and disturbed ground caused by the detonations. Shapefile versions of the polygon features layer in Nevada State Plane and Universal Transverse Mercator projections, named 'area12_features_poly_n27f.shp' and 'area12_features_poly_u83m.shp,' are also provided in the archive.
The influence of the carbonate species on LiNi0.8Co0.15Al0.05O2 surfaces for all-solid-state lithium ion battery performance

NASA Astrophysics Data System (ADS)

Visbal, Heidy; Fujiki, Satoshi; Aihara, Yuichi; Watanabe, Taku; Park, Youngsin; Doo, Seokgwang

2014-12-01

The influence of selected carbonate species on LiNi0.8Co0.15Al0.05O2 (NCA) surface for all-solid-state lithium-ion battery (ASSB) with a sulfide based solid electrolyte was studied for its electrochemical properties, structural stabilities, and surface characteristics. The rated discharge performance improved with the reduction of the carbonate concentration on the NCA surface due to the decrease of the interface resistance. The species and coordination of the adsorbed carbonates on the NCA surface were analyzed by diffuse reflectance Fourier transformed infrared (DRIFT) spectroscopy. The coordination of the adsorbed carbonate anion was determined based on the degree of splitting of the ν3(CO) stretching vibrations. It is found that the surface carbonate species exists in an unidentate coordination on the surface. They react with the sulfide electrolyte to form an irreversible passivation layer. This layer obstructs the charge transfer process at the cathode/electrolyte interface, and results in the rise of the interface resistance and drop of the rated discharge capability.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Unuigbe, David M.; Harting, Margit; Jonah, Emmanuel O.

The presence of native oxide on the surface of silicon nanoparticles is known to inhibit charge transport on the surfaces. Scanning electron microscopy (SEM) studies reveal that the particles in the printed silicon network have a wide range of sizes and shapes. High-resolution transmission electron microscopy reveals that the particle surfaces have mainly the (111)- and (100)-oriented planes which stabilizes against further oxidation of the particles. X-ray absorption spectroscopy (XANES) and X-ray photoelectron spectroscopy (XPS) measurements at the O 1s-edge have been utilized to study the oxidation and local atomic structure of printed layers of silicon nanoparticles which were milledmore » for different times. XANES results reveal the presence of the +4 (SiO 2) oxidation state which tends towards the +2 (SiO) state for higher milling times. Si 2pXPS results indicate that the surfaces of the silicon nanoparticles in the printed layers are only partially oxidized and that all three sub-oxide, +1 (Si 2O), +2 (SiO) and +3 (Si 2O 3), states are present. The analysis of the change in the sub-oxide peaks of the silicon nanoparticles shows the dominance of the +4 state only for lower milling times.« less

Atomic Resolution of Calcium and Oxygen Sublattices of Calcite in Ambient Conditions by Atomic Force Microscopy Using qPlus Sensors with Sapphire Tips.

PubMed

Wastl, Daniel S; Judmann, Michael; Weymouth, Alfred J; Giessibl, Franz J

2015-01-01

Characterization and imaging at the atomic scale with atomic force microscopy in biocompatible environments is an ongoing challenge. We demonstrate atomically resolved imaging of the calcite (101̅4) surface plane using stiff quartz cantilevers ("qPlus sensors", stiffness k = 1280 N/m) equipped with sapphire tips in ambient conditions without any surface preparation. With 10 atoms in one surface unit cell, calcite has a highly complex surface structure comprising three different chemical elements (Ca, C, and O). We obtain true atomic resolution of calcite in air at relative humidity ranging from 20% to 40%, imaging atomic steps and single atomic defects. We observe a great durability of sapphire tips with their Mohs hardness of 9, only one step below diamond. Depending on the state of the sapphire tip, we resolve either the calcium or the oxygen sublattice. We determine the tip termination by comparing the experimental images with simulations and discuss the possibility of chemical tip identification in air. The main challenges for imaging arise from the presence of water layers, which form on almost all surfaces and have the potential to dissolve the crystal surface. Frequency shift versus distance spectra show the presence of at least three ordered hydration layers. The measured height of the first hydration layer corresponds well to X-ray diffraction data and molecular dynamic simulations, namely, ∼220 pm. For the following hydration layers we measure ∼380 pm for the second and third layer, ending up in a total hydration layer thickness of at least 1 nm. Understanding the influence of water layers and their structure is important for surface segregation, surface reactions including reconstructions, healing of defects, and corrosion.
Inversion layer on the Ge(001) surface from the four-probe conductance measurements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wojtaszek, Mateusz; Lis, Jakub, E-mail: j.lis@uj.edu.pl; Zuzak, Rafal

2014-07-28

We report four-probe conductance measurements with sub-micron resolution on atomically clean Ge(001) surfaces. A qualitative difference between n-type and p-type crystals is observed. The scaling behavior of the resistance on n-type samples indicates two-dimensional current flow, while for the p-type crystal a three-dimensional description is appropriate. We interpret this in terms of the formation of an inversion layer at the surface. This result points to the surface states, i.e., dangling bonds, as the driving force behind band bending in germanium. It also explains the intrinsic character of band bending in germanium.
A 3-step framework for understanding the added value of surface soil moisture measurements for large-scale runoff prediction via data assimilation - a synthetic study in the Arkansas-Red River basin

NASA Astrophysics Data System (ADS)

Mao, Y.; Crow, W. T.; Nijssen, B.

2017-12-01

Soil moisture (SM) plays an important role in runoff generation both by partitioning infiltration and surface runoff during rainfall events and by controlling the rate of subsurface flow during inter-storm periods. Therefore, more accurate SM state estimation in hydrologic models is potentially beneficial for streamflow prediction. Various previous studies have explored the potential of assimilating SM data into hydrologic models for streamflow improvement. These studies have drawn inconsistent conclusions, ranging from significantly improved runoff via SM data assimilation (DA) to limited or degraded runoff. These studies commonly treat the whole assimilation procedure as a black box without separating the contribution of each step in the procedure, making it difficult to attribute the underlying causes of runoff improvement (or the lack thereof). In this study, we decompose the overall DA process into three steps by answering the following questions (3-step framework): 1) how much can assimilation of surface SM measurements improve surface SM state in a hydrologic model? 2) how much does surface SM improvement propagate to deeper layers? 3) How much does (surface and deeper-layer) SM improvement propagate into runoff improvement? A synthetic twin experiment is carried out in the Arkansas-Red River basin ( 600,000 km2) where a synthetic "truth" run, an open-loop run (without DA) and a DA run (where synthetic surface SM measurements are assimilated) are generated. All model runs are performed at 1/8 degree resolution and over a 10-year period using the Variable Infiltration Capacity (VIC) hydrologic model at a 3-hourly time step. For the DA run, the ensemble Kalman filter (EnKF) method is applied. The updated surface and deeper-layer SM states with DA are compared to the open-loop SM to quantitatively evaluate the first two steps in the framework. To quantify the third step, a set of perfect-state runs are generated where the "true" SM states are directly inserted in the model to assess the maximum possible runoff improvement that can be achieved by improving SM states alone. Our results show that the 3-step framework is able to effectively identify the potential as well as bottleneck of runoff improvement and point out the cases where runoff improvement via assimilation of surface SM is prone to failure.
Effects of (NH4)2S x treatment on the surface properties of SiO2 as a gate dielectric for pentacene thin-film transistor applications

NASA Astrophysics Data System (ADS)

Hung, Cheng-Chun; Lin, Yow-Jon

2018-01-01

The effect of (NH4)2S x treatment on the surface properties of SiO2 is studied. (NH4)2S x treatment leads to the formation of S-Si bonds on the SiO2 surface that serves to reduce the number of donor-like trap states, inducing the shift of the Fermi level toward the conduction band minimum. A finding in this case is the noticeably reduced value of the SiO2 capacitance as the sulfurated layer is formed at the SiO2 surface. The effect of SiO2 layers with (NH4)2S x treatment on the carrier transport behaviors for the pentacene/SiO2-based organic thin-film transistor (OTFT) is also studied. The pentacene/as-cleaned SiO2-based OTFT shows depletion-mode behavior, whereas the pentacene/(NH4)2S x -treated SiO2-based OTFT exhibits enhancement-mode behavior. Experimental identification confirms that the depletion-/enhancement-mode conversion is due to the dominance competition between donor-like trap states in SiO2 near the pentacene/SiO2 interface and acceptor-like trap states in the pentacene channel. A sulfurated layer between pentacene and SiO2 is expected to give significant contributions to carrier transport for pentacene/SiO2-based OTFTs.
X-Ray Photoelectron Spectroscopy and Ultrahigh Vacuum Contactless Capacitance-Voltage Characterization of Novel Oxide-Free InP Passivation Process Using a Silicon Surface Quantum Well

NASA Astrophysics Data System (ADS)

Takahashi, Hiroshi; Hashizume, Tamotsu; Hasegawa, Hideki

1999-02-01

In order to understand and optimize a novel oxide-free InP passivation process using a silicon surface quantum well, a detailed in situ X-ray photoelectron spectroscopy (XPS) and ultrahigh vacuum (UHV) contactless capacitance-voltage (C-V) study of the interface was carried out. Calculation of quantum levels in the silicon quantum well was performed on the basis of the band lineup of the strained Si3N4/Si/InP interface and the result indicated that the interface should become free of gap states when the silicon layer thickness is below 5 Å. Experimentally, such a delicate Si3N4/Si/InP structure was realized by partial nitridation of a molecular beam epitaxially (MBE) grown pseudomorphic silicon layer using an electron cyclotron resonance (ECR) N2 plasma. The progress of nitridation was investigated in detail by angle-resolved XPS. A newly developed UHV contactless C-V method realized in situ characterization of surface electronic properties of InP at each processing step for passivation. It was found that the interface state density decreased substantially into the 1010 cm-2 eV-1 range by optimizing the nitridation process of the silicon layer. It was concluded that both the surface bond termination and state removal by quantum confinement are responsible for the NSS reduction.
Ion-implanted epitaxially grown ZnSe

NASA Technical Reports Server (NTRS)

Chernow, F.

1975-01-01

The use of ZnSe to obtain efficient, short wavelength injection luminescence was investigated. It was proposed that shorter wavelength emission and higher efficiency be achieved by employing a p-i-n diode structure rather than the normal p-n diode structure. The intervening i layer minimizes concentration quenching effects and the donor-acceptor pair states leading to long wavelength emission. The surface p layer was formed by ion implantation; implantation of the i layer rather than the n substrate permits higher, uncompensated p-type doping. An ion implanted p-n junction in ZnSe is efficiency-limited by high electron injection terminating in nonradiative recombination at the front surface, and by low hole injection resulting from the inability to obtain high conductivity p-type surface layers. While the injection ratio in p-n junctions was determined by the radio of majority carrier concentrations, the injection ratio in p-i-n structures was determined by the mobility ratios and/or space charge neutrality requirements in the i layer.
Towards the use of HYCOM in Coupled ENSO Prediction: Assessment of ENSO Skill in Forced Global HYCOM

DTIC Science & Technology

2016-08-10

CICE spun-up state forced with climatological surface atmospheric fluxes. This run was initialized from Generalized Digital Environmental Model4...GDEM4) climatological temperature and salinity. It was configured with 41layers. 2. Global 0.72° HYCOM/CICE forced with NOGAPS for 2003-2012. The same...surface temperature, sea-ice concentration, and precipitation products. It was initialized from Levitus-PHC2 climatology . It was configured with 32 layers
Slippery Liquid-Infused Porous Surfaces and Droplet Transportation by Surface Acoustic Waves

NASA Astrophysics Data System (ADS)

Luo, J. T.; Geraldi, N. R.; Guan, J. H.; McHale, G.; Wells, G. G.; Fu, Y. Q.

2017-01-01

On a solid surface, a droplet of liquid will stick due to the capillary adhesion, and this causes low droplet mobility. To reduce contact line pinning, surface chemistry can be coupled to micro- and/or nanostructures to create superhydrophobic surfaces on which a droplet balls up into an almost spherical shape, thus, minimizing the contact area. Recent progress in soft matter has now led to alternative lubricant-impregnated surfaces capable of almost zero contact line pinning and high droplet mobility without causing droplets to ball up and minimize the contact area. Here we report an approach to surface-acoustic-wave- (SAW) actuated droplet transportation enabled using such a surface. These surfaces maintain the contact area required for efficient energy and momentum transfer of the wave energy into the droplet while achieving high droplet mobility and a large footprint, therefore, reducing the threshold power required to induce droplet motion. In our approach, we use a slippery layer of lubricating oil infused into a self-assembled porous hydrophobic layer, which is significantly thinner than the SAW wavelength, and avoid damping of the wave. We find a significant reduction (up to 85%) in the threshold power for droplet transportation compared to that using a conventional surface-treatment method. Moreover, unlike droplets on superhydrophobic surfaces, where interaction with the SAW induces a transition from a Cassie-Baxter state to a Wenzel state, the droplets on our liquid-impregnated surfaces remain in a mobile state after interaction with the SAW.
Understanding the Intrinsic Electrochemistry of Ni-Rich Layered Cathodes

NASA Astrophysics Data System (ADS)

Sallis, Shawn

The demand for energy is continually increasing overtime and the key to meeting future demand in a sustainable way is with energy storage. Li-ion batteries employing layered transition metal oxide cathodes are one of the most technologically important energy storage technologies. However, current Li-ion batteries are unable to access their full theoretical capacity and suffer from performance limiting degradation over time partially originating from the cathode and partially from the interface with the electrolyte. Understanding the fundamental limitations of layered transition metal oxide cathodes requires a complete understanding of the surface and bulk of the materials in their most delithiated state. In this thesis, we employ LiNi0.8Co0.15Al 0.05O2 (NCA) as a model system for Ni-rich layered oxide cathodes. Unlike its parent compound, LiCoO2, NCA is capable of high states of delithiation with minimal structural transitions. Furthermore, commercially available NCA has little to no transition metals in the Li layer. X-ray spectroscopies are an ideal tool for studying cathodes at high states of delithiation due their elemental selectivity, range of probing depths, and sensitivity to both chemical and electronic state information. The oxidation state of the transition metals at the surface can be probed via X-ray photoelectron spectroscopy (XPS) while both bulk and surface oxidation states as well as changes in metal oxygen bonding can be probed using X-ray absorption spectroscopy (XAS). Using X-ray spectroscopy in tandem with electrochemical, transport and microscopy measurements of the same materials, the impedance growth with increasing delithiation was correlated with the formation of a disordered NiO phase on the surface of NCA which was precipitated by the release of oxygen. Furthermore, the surface degradation was strongly impacted by the type of Li salt used in the electrolyte, with the standard commercial salt LiPF6 suffering from exothermic decomposition at high voltages and temperatures. Substituting LiPF6with LiBF4 suppressed NCA surface degradation and the dissolution of the transition metals into the electrolyte which is responsible for the impedance growth. Even in the most extreme conditions (4.75V vs Li +/Li0 at 60 °C for > 100 hrs) the degradation (i.e. metal reduction) was restricted to the first 10-30 nm and no evidence of oxygen loss was observed in the bulk. However, the transition metal ions were found to cease oxidizing above 4.25 V vs Li+/Li0 despite it being possible to extract 20% more lithium. Using a newly developed high efficiency resonant inelastic x-ray scattering (RIXS) spectrometer to probe the O K-edge of NCA electrodes at various conditions, it was concluded that oxygen participates in the charge compensation at the highest states of delithiation instead of the transition metals. These results are intrinsic to the physical and electronic structure of NCA and appear general to the other layered transition metal oxides currently under consideration for use as cathodes in Li-ion batteries.
The BLLAST field experiment: Boundary-Layer Late Afternoon and Sunset Turbulence

NASA Astrophysics Data System (ADS)

Lothon, M.; Lohou, F.; Pino, D.; Couvreux, F.; Pardyjak, E. R.; Reuder, J.; Vilà-Guerau de Arellano, J.; Durand, P.; Hartogensis, O.; Legain, D.; Augustin, P.; Gioli, B.; Faloona, I.; Yagüe, C.; Alexander, D. C.; Angevine, W. M.; Bargain, E.; Barrié, J.; Bazile, E.; Bezombes, Y.; Blay-Carreras, E.; van de Boer, A.; Boichard, J. L.; Bourdon, A.; Butet, A.; Campistron, B.; de Coster, O.; Cuxart, J.; Dabas, A.; Darbieu, C.; Deboudt, K.; Delbarre, H.; Derrien, S.; Flament, P.; Fourmentin, M.; Garai, A.; Gibert, F.; Graf, A.; Groebner, J.; Guichard, F.; Jimenez Cortes, M. A.; Jonassen, M.; van den Kroonenberg, A.; Lenschow, D. H.; Magliulo, V.; Martin, S.; Martinez, D.; Mastrorillo, L.; Moene, A. F.; Molinos, F.; Moulin, E.; Pietersen, H. P.; Piguet, B.; Pique, E.; Román-Cascón, C.; Rufin-Soler, C.; Saïd, F.; Sastre-Marugán, M.; Seity, Y.; Steeneveld, G. J.; Toscano, P.; Traullé, O.; Tzanos, D.; Wacker, S.; Wildmann, N.; Zaldei, A.

2014-04-01

Due to the major role of the sun in heating the earth's surface, the atmospheric planetary boundary layer over land is inherently marked by a diurnal cycle. The afternoon transition, the period of the day that connects the daytime dry convective to the night-time stable boundary layer, still raises several scientific issues. This phase of the diurnal cycle is challenging from both modeling and observational perspectives: it is transitory, most of the forcings are small or null and the turbulence regime changes from fully convective regime, close to homogeneous and isotropic, toward a more heterogeneous and intermittent state. These issues motivated the BLLAST (Boundary Layer Late Afternoon and Sunset Turbulence) field campaign that was conducted from 14 June to 8 July 2011 in southern France, in an area of complex and heterogeneous terrain. A wide range of integrated instrument platforms including full-size aircraft, remotely piloted aircraft systems (RPAS), remote sensing instruments, radiosoundings, tethered balloons, surface flux stations, and various meteorological towers were deployed over different surface types. The boundary layer, from the earth's surface to the free troposphere, was probed during the entire day, with a focus and intense observations from midday until sunset. The BLLAST field campaign also provided an opportunity to test innovative measurement systems, like new miniaturized sensors, and a new technique for frequent radiosoundings of the low troposphere. Twelve fair weather days displaying various meteorological conditions were extensively documented during the field experiment. The boundary layer growth varied from one day to another depending on many contributions including stability, advection, subsidence, the state of the residual layer of the previous day, as well as local, meso- or synoptic scale conditions. Ground-based measurements combined with tethered-balloon and airborne observations captured the turbulence decay from the surface throughout the whole boundary layer and evidenced the evolution of the turbulence characteristic lengthscales during the transition period. Closely integrated with the field experiment, numerical studies are now underway with a complete hierarchy of models to support the data interpretation and improve the model representations.
Detecting surface roughness effects on the atmospheric boundary layer via AIRSAR data: A field experiment in Death Valley, California

NASA Technical Reports Server (NTRS)

Blumberg, Dan G.; Greeley, Ronald

1992-01-01

The part of the troposphere influenced by the surface of the earth is termed the atmospheric boundary layer. Flow within this layer is influenced by the roughness of the surface; rougher surfaces induce more turbulence than smoother surfaces and, hence, higher atmospheric transfer rates across the surface. Roughness elements also shield erodible particles, thus decreasing the transport of windblown particles. Therefore, the aerodynamic roughness length (z(sub 0)) is an important parameter in aeolian and atmospheric boundary layer processes as it describes the aerodynamic properties of the underlying surface. z(sub 0) is assumed to be independent of wind velocity or height, and dependent only on the surface topography. It is determined using in situ measurements of the wind speed distribution as a function of height. For dry, unvegetated soils the intensity of the radar backscatter (sigma(sup 0)) is affected primarily by surface roughness at a scale comparable with the radar wavelength. Thus, both wind and radar respond to surface roughness variations on a scale of a few meters or less. Greeley showed the existence of a correlation between z(sub 0) and sigma(sup 0). This correlation was based on measurements over lava flows, alluvial fans, and playas in the southwest deserts of the United States. It is shown that the two parameters behave similarly also when there are small changes over a relatively homogeneous surface.
Observing the seasonal cycle of the upper ocean in the Ross Sea, Antarctica, with autonomous profiling floats

NASA Astrophysics Data System (ADS)

Porter, D. F.; Springer, S. R.; Padman, L.; Fricker, H. A.; Bell, R. E.

2017-12-01

The upper layers of the Southern Ocean where it meets the Antarctic ice sheet undergoes a large seasonal cycle controlled by surface radiation and by freshwater fluxes, both of which are strongly influenced by sea ice. In regions where seasonal sea ice and icebergs limit use of ice-tethered profilers and conventional moorings, autonomous profiling floats can sample the upper ocean. The deployment of seven Apex floats (by sea) and six ALAMO floats (by air) provides unique upper ocean hydrographic data in the Ross Sea close to the Ross Ice Shelf front. A novel choice of mission parameters - setting parking depth deeper than the seabed - limits their drift, allowing us to deploy the floats close to the ice shelf front, while sea ice avoidance algorithms allow the floats to to sample through winter under sea ice. Hydrographic profiles show the detailed development of the seasonal mixed layer close to the Ross front, and interannual variability of the seasonal mixed layer and deeper water masses on the central Ross Sea continental shelf. After the sea ice breakup in spring, a warm and fresh surface mixed layer develops, further warming and deepening throughout the summer. The mixed layer deepens, with maximum temperatures exceeding 0ºC in mid-February. By March, the surface energy budget becomes negative and sea ice begins to form, creating a cold, saline and dense surface layer. Once these processes overcome the stable summer stratification, convection erodes the surface mixed layer, mixing some heat downwards to deeper layers. There is considerable interannual variability in the evolution and strength of the surface mixed layer: summers with shorter ice-free periods result in a cooler and shallower surface mixed layer, which accumulates less heat than the summers with longer ice-free periods. Early ice breakup occurred in all floats in 2016/17 summer, enhancing the absorbed solar flux leading to a warmer surface mixed layer. Together, these unique measurements from autonomous profilers provide insight into the hydrographic state of the Ross Sea at the start of the spring period of sea-ice breakup, and how ocean mixing and sea ice interact to initiate the summer open-water season.
Preliminary results on complex ceramic layers deposition by atmospheric plasma spraying

NASA Astrophysics Data System (ADS)

Florea, Costel; Bejinariu, Costicǎ; Munteanu, Corneliu; Cimpoeşu, Nicanor

2017-04-01

In this article we obtain thin layers from complex ceramic powders using industrial equipment based on atmospheric plasma spraying. We analyze the influence of the substrate material roughness on the quality of the thin layers using scanning electron microscopy (SEM) and X-ray dispersive energy analyze (EDAX). Preliminary results present an important dependence between the surface state and the structural and chemical homogeneity.
Atomic Layer-Deposited TiO2 Coatings on NiTi Surface

NASA Astrophysics Data System (ADS)

Vokoun, D.; Racek, J.; Kadeřávek, L.; Kei, C. C.; Yu, Y. S.; Klimša, L.; Šittner, P.

2018-02-01

NiTi shape-memory alloys may release poisonous Ni ions at the alloys' surface. In an attempt to prepare a well-performing surface layer on an NiTi sample, the thermally grown TiO2 layer, which formed during the heat treatment of NiTi, was removed and replaced with a new TiO2 layer prepared using the atomic layer deposition (ALD) method. Using x-ray photoelectron spectroscopy, it was found that the ALD layer prepared at as low a temperature as 100 °C contained Ti in oxidation states + 4 and + 3. As for static corrosion properties of the ALD-coated NiTi samples, they further improved compared to those covered by thermally grown oxide. The corrosion rate of samples with thermally grown oxide was 1.05 × 10-5 mm/year, whereas the corrosion rate of the ALD-coated samples turned out to be about five times lower. However, cracking of the ALD coating occurred at about 1.5% strain during the superelastic mechanical loading in tension taking place via the propagation of a localized martensite band.
A new approach to the problem of bulk-mediated surface diffusion.

PubMed

Berezhkovskii, Alexander M; Dagdug, Leonardo; Bezrukov, Sergey M

2015-08-28

This paper is devoted to bulk-mediated surface diffusion of a particle which can diffuse both on a flat surface and in the bulk layer above the surface. It is assumed that the particle is on the surface initially (at t = 0) and at time t, while in between it may escape from the surface and come back any number of times. We propose a new approach to the problem, which reduces its solution to that of a two-state problem of the particle transitions between the surface and the bulk layer, focusing on the cumulative residence times spent by the particle in the two states. These times are random variables, the sum of which is equal to the total observation time t. The advantage of the proposed approach is that it allows for a simple exact analytical solution for the double Laplace transform of the conditional probability density of the cumulative residence time spent on the surface by the particle observed for time t. This solution is used to find the Laplace transform of the particle mean square displacement and to analyze the peculiarities of its time behavior over the entire range of time. We also establish a relation between the double Laplace transform of the conditional probability density and the Fourier-Laplace transform of the particle propagator over the surface. The proposed approach treats the cases of both finite and infinite bulk layer thicknesses (where bulk-mediated surface diffusion is normal and anomalous at asymptotically long times, respectively) on equal footing.
Nonequilibrium chemistry boundary layer integral matrix procedure

NASA Technical Reports Server (NTRS)

Tong, H.; Buckingham, A. C.; Morse, H. L.

1973-01-01

The development of an analytic procedure for the calculation of nonequilibrium boundary layer flows over surfaces of arbitrary catalycities is described. An existing equilibrium boundary layer integral matrix code was extended to include nonequilibrium chemistry while retaining all of the general boundary condition features built into the original code. For particular application to the pitch-plane of shuttle type vehicles, an approximate procedure was developed to estimate the nonequilibrium and nonisentropic state at the edge of the boundary layer.
Influence of long-range forces and capillarity on the function of underwater superoleophobic wrinkled surfaces.

PubMed

Owais, Ahmed; Smith-Palmer, Truis; Gentle, Angus; Neto, Chiara

2018-06-26

Underwater superoleophobic surfaces can be considered a particular type of lubricant-infused surface, that have anti-fouling properties by virtue of a trapped water layer that repels oils. However, as their function relies on a water layer being trapped in the surface roughness, it is crucial to understand the factors that determine the layer stability. In this work, the forces that are responsible for the stability of thin liquid films within structured surfaces were quantified, and the conclusions were tested against the performance of wrinkled surfaces as underwater superoleophobic coatings. Here, the system studied was a family of wrinkled surfaces made of hydrophilic poly(4-vinylpyridine) (P4VP), whereby the wrinkle width could be controllably tuned in the range 90 nm to 8000 nm. The van der Waals free energy was quantified and the capillary forces trapping water in the surface micro- and nano-wrinkle structure were estimated. P4VP surfaces with micro-scale wrinkles had underwater superoleophobic properties, and low adhesion to different oils with droplet roll-off angle below 6° ± 1°. Despite the van der Waals free energy of the system pointing to the dewetting of a water film under oil on top of a smooth P4VP film, the wrinkled structure is sufficient to induce a Cassie state with a trapped water layer. The micro-scale wrinkles (average width 4-12 μm) were found to be particularly effective in the trapping of the water in a Cassie non-adhesive state. The P4VP wrinkled surfaces are superamphiphobic, as when they were first infused with oil, and then exposed to a droplet of water under oil, they exhibited superhydrophobic behavior. The P4VP wrinkles have the additional useful feature of being transparent underwater, which makes them useful candidates for the protection of underwater cameras and sensors.
Design optimization of GaAs betavoltaic batteries

NASA Astrophysics Data System (ADS)

Chen, Haiyanag; Jiang, Lan; Chen, Xuyuan

2011-06-01

GaAs junctions are designed and fabricated for betavoltaic batteries. The design is optimized according to the characteristics of GaAs interface states and the diffusion length in the depletion region of GaAs carriers. Under an illumination of 10 mCi cm-2 63Ni, the open circuit voltage of the optimized batteries is about ~0.3 V. It is found that the GaAs interface states induce depletion layers on P-type GaAs surfaces. The depletion layer along the P+PN+ junction edge isolates the perimeter surface from the bulk junction, which tends to significantly reduce the battery dark current and leads to a high open circuit voltage. The short circuit current density of the optimized junction is about 28 nA cm-2, which indicates a carrier diffusion length of less than 1 µm. The overall results show that multi-layer P+PN+ junctions are the preferred structures for GaAs betavoltaic battery design.
Electronic Structure of ABC-stacked Multilayer Graphene and Trigonal Warping:A First Principles Calculation

NASA Astrophysics Data System (ADS)

Yelgel, Celal

2016-04-01

We present an extensive density functional theory (DFT) based investigation of the electronic structures of ABC-stacked N-layer graphene. It is found that for such systems the dispersion relations of the highest valence and the lowest conduction bands near the K point in the Brillouin zone are characterised by a mixture of cubic, parabolic, and linear behaviours. When the number of graphene layers is increased to more than three, the separation between the valence and conduction bands decreases up until they touch each other. For five and six layer samples these bands show flat behaviour close to the K point. We note that all states in the vicinity of the Fermi energy are surface states originated from the top and/or bottom surface of all the systems considered. For the trilayer system, N = 3, pronounced trigonal warping of the bands slightly above the Fermi level is directly obtained from DFT calculations.
Abrasion and deformed layer formation of manganese-zinc ferrite in sliding contact with lapping tapes

NASA Technical Reports Server (NTRS)

Miyoshi, K.; Buckley, D. H.; Tanaka, K.

1986-01-01

Wear experiments were conducted using replication electron microscopy and reflection electron diffraction to study abrasion and the deformed layers produced in single-crystal Mn-Zn ferrite simulated heads during contact with lapping tapes. The crystaline state of the head is changed drastically during the abrasion process. Crystalline states ranging from nearly amorphous to highly textured polycrystalline can be produced on the wear surface of a single-crystal Mn-Zn ferrite head. The total thickness of the deformed layer was approximately 0.8 microns. This thickness increased as the load and abrasive grit size increased. The anisotropic wear of the ferrite was found to be inversely proportional to the hardness of the wear surface. The wear was lower in the order 211 111 10 0110. The wear of the ferrite increased markedly with an increase in sliding velocity and abrasive grit size.

Modeling of Ice Flow and Internal Layers Along a Flow Line Through Swiss Camp in West Greenland

NASA Technical Reports Server (NTRS)

Wang, W. L.; Zwally, H. Jay; Abdalati, W.; Luo, S.; Koblinsky, Chester J. (Technical Monitor)

2001-01-01

An anisotropic ice flow line model is applied to a flow line through Swiss Camp (69.57 N, 49.28 W) in West Greenland to estimate the dates of internal layers detected by Radio-Echo Sounding measurements. The effect of an anisotropic ice fabric on ice flow is incorporated into the steady state flow line model. The stress-strain rate relationship for anisotropic ice is characterized by an enhancement factor based on the laboratory observations of ice deformation under combined compression and shear stresses. By using present-day data of accumulation rate, surface temperature, surface elevation and ice thickness along the flow line as model inputs, a very close agreement is found between the isochrones generated from the model and the observed internal layers with confirmed dates. The results indicate that this part of Greenland ice sheet is primarily in steady state.
Atomically thin transition metal layers: Atomic layer stabilization and metal-semiconductor transition

NASA Astrophysics Data System (ADS)

Hwang, Jeongwoon; Oh, Young Jun; Kim, Jiyoung; Sung, Myung Mo; Cho, Kyeongjae

2018-04-01

We have performed first-principle calculations to explore the possibility of synthesizing atomically thin transition metal (TM) layers. Buckled structures as well as planar structures of elemental 2D TM layers result in significantly higher formation energies compared with sp-bonded elemental 2D materials with similar structures, such as silicene and phosphorene. It is shown that the TM layers can be stabilized by surface passivation with HS, C6H5S2, or O, and O passivation is most effective. The surface oxygen passivation can improve stability leading to thermodynamically stable TM monolayers except Au, which is the most non-reactive metal element. Such stabilized TM monolayers also show an electronic structure transition from metallic state of free-standing TM layer to semiconducting O-passivated Mo and W monolayers with band gaps of 0.20-1.38 eV.
Boundary Layer Flow Over a Moving Wavy Surface

NASA Astrophysics Data System (ADS)

Hendin, Gali; Toledo, Yaron

2016-04-01

Boundary Layer Flow Over a Moving Wavy Surface Gali Hendin(1), Yaron Toledo(1) January 13, 2016 (1)School of Mechanical Engineering, Tel-Aviv University, Israel Understanding the boundary layer flow over surface gravity waves is of great importance as various atmosphere-ocean processes are essentially coupled through these waves. Nevertheless, there are still significant gaps in our understanding of this complex flow behaviour. The present work investigates the fundamentals of the boundary layer air flow over progressive, small-amplitude waves. It aims to extend the well-known Blasius solution for a boundary layer over a flat plate to one over a moving wavy surface. The current analysis pro- claims the importance of the small curvature and the time-dependency as second order effects, with a meaningful impact on the similarity pattern in the first order. The air flow over the ocean surface is modelled using an outer, inviscid half-infinite flow, overlaying the viscous boundary layer above the wavy surface. The assumption of a uniform flow in the outer layer, used in former studies, is now replaced with a precise analytical solution of the potential flow over a moving wavy surface with a known celerity, wavelength and amplitude. This results in a conceptual change from former models as it shows that the pressure variations within the boundary layer cannot be neglected. In the boundary layer, time-dependent Navier-Stokes equations are formulated in a curvilinear, orthogonal coordinate system. The formulation is done in an elaborate way that presents additional, formerly neglected first-order effects, resulting from the time-varying coordinate system. The suggested time-dependent curvilinear orthogonal coordinate system introduces a platform that can also support the formulation of turbulent problems for any surface shape. In order to produce a self-similar Blasius-type solution, a small wave-steepness is assumed and a perturbation method is applied. Consequently, a novel self-similar solution is obtained from the first order set of equations. A second order solution is also obtained, stressing the role of small curvature on the boundary layer flow. The proposed model and solution for the boundary layer problem overlaying a moving wavy surface can also be used as a base flow for stability problems that can develop in a boundary layer, including phases of transitional states.
Equilibrium of adsorption of mixed milk protein/surfactant solutions at the water/air interface.

PubMed

Kotsmar, C; Grigoriev, D O; Xu, F; Aksenenko, E V; Fainerman, V B; Leser, M E; Miller, R

2008-12-16

Ellipsometry and surface profile analysis tensiometry were used to study and compare the adsorption behavior of beta-lactoglobulin (BLG)/C10DMPO, beta-casein (BCS)/C10DMPO and BCS/C12DMPO mixtures at the air/solution interface. The adsorption from protein/surfactant mixed solutions is of competitive nature. The obtained adsorption isotherms suggest a gradual replacement of the protein molecules at the interface with increasing surfactant concentration for all studied mixed systems. The thickness, refractive index, and the adsorbed amount of the respective adsorption layers, determined by ellipsometry, decrease monotonically and reach values close to those for a surface covered only by surfactant molecules, indicating the absence of proteins from a certain surfactant concentration on. These results correlate with the surface tension data. A continuous increase of adsorption layer thickness was observed up to this concentration, caused by the desorption of segments of the protein and transforming the thin surface layer into a rather diffuse and thick one. Replacement and structural changes of the protein molecules are discussed in terms of protein structure and surface activity of surfactant molecules. Theoretical models derived recently were used for the quantitative description of the equilibrium state of the mixed surface layers.
Consequences of plasma oxidation and vacuum annealing on the chemical properties and electron accumulation of In2O3 surfaces

NASA Astrophysics Data System (ADS)

Berthold, Theresa; Rombach, Julius; Stauden, Thomas; Polyakov, Vladimir; Cimalla, Volker; Krischok, Stefan; Bierwagen, Oliver; Himmerlich, Marcel

2016-12-01

The influence of oxygen plasma treatments on the surface chemistry and electronic properties of unintentionally doped and Mg-doped In2O3(111) films grown by plasma-assisted molecular beam epitaxy or metal-organic chemical vapor deposition is studied by photoelectron spectroscopy. We evaluate the impact of semiconductor processing technology relevant treatments by an inductively coupled oxygen plasma on the electronic surface properties. In order to determine the underlying reaction processes and chemical changes during film surface-oxygen plasma interaction and to identify reasons for the induced electron depletion, in situ characterization was performed implementing a dielectric barrier discharge oxygen plasma as well as vacuum annealing. The strong depletion of the initial surface electron accumulation layer is identified to be caused by adsorption of reactive oxygen species, which induce an electron transfer from the semiconductor to localized adsorbate states. The chemical modification is found to be restricted to the topmost surface and adsorbate layers. The change in band bending mainly depends on the amount of attached oxygen adatoms and the film bulk electron concentration as confirmed by calculations of the influence of surface state density on the electron concentration and band edge profile using coupled Schrödinger-Poisson calculations. During plasma oxidation, hydrocarbon surface impurities are effectively removed and surface defect states, attributed to oxygen vacancies, vanish. The recurring surface electron accumulation after subsequent vacuum annealing can be consequently explained by surface oxygen vacancies.
Effect of Bombardment with Oxygen Ions on the Surface Composition of Polycrystalline Silver

NASA Astrophysics Data System (ADS)

Ashkhotov, O. G.; Khubezhov, S. A.; Aleroev, M. A.; Magkoev, T. T.; Grigorkina, G. S.

2018-07-01

Surface layers of polycrystalline silver bombarded with oxygen ions having energies from 100 to 300 eV are studied via Auger electron and X-ray photoelectron spectroscopies. Atomic and molecular oxygen together with silver in the zero-valence state are found in AgO and Ag2O after such treatment in silver surface layers. In addition, there is positive displacement of the Ag 3 d 3/2 peak by 0.5 eV, indicating an increase in spin-orbit splitting for Ag 3 d 5/2-Ag 3 d 3/2.
H2O on Pt(111): structure and stability of the first wetting layer

NASA Astrophysics Data System (ADS)

Standop, Sebastian; Morgenstern, Markus; Michely, Thomas; Busse, Carsten

2012-03-01

We study the structure and stability of the first water layer on Pt(111) by variable-temperature scanning tunneling microscopy. We find that a high Pt step edge density considerably increases the long-range order of the equilibrium \\sqrt{37}\\times \\sqrt{37}{R25.3}°- and \\sqrt{39}\\times \\sqrt{39}{R16.1}°-superstructures, presumably due to the capability of step edges to trap residual adsorbates from the surface. Passivating the step edges with CO or preparing a flat metal surface leads to the formation of disordered structures, which still show the same structural elements as the ordered ones. Coadsorption of Xe and CO proves that the water layer covers the metal surface completely. Moreover, we determine the two-dimensional crystal structure of Xe on top of the chemisorbed water layer which exhibits an Xe-Xe distance close to the one in bulk Xe and a rotation angle of 90° between the close-packed directions of Xe and the close-packed directions of the underlying water layer. CO is shown to replace H2O on the Pt(111) surface as has been deduced previously. In addition, we demonstrate that tunneling of electrons into the antibonding state or from the bonding state of H2O leads to dissociation of the molecules and a corresponding reordering of the adlayer into a \\sqrt{3}\\times \\sqrt{3}{R30}°-structure. Finally, a so far not understood restructuring of the adlayer by an increased tunneling current has been observed.
Hydrologic conditions controlling runoff generation immediately after wildfire

USGS Publications Warehouse

Ebel, Brian A.; Moody, John A.; Martin, Deborah A.

2012-01-01

We investigated the control of postwildfire runoff by physical and hydraulic properties of soil, hydrologic states, and an ash layer immediately following wildfire. The field site is within the area burned by the 2010 Fourmile Canyon Fire in Colorado, USA. Physical and hydraulic property characterization included ash thickness, particle size distribution, hydraulic conductivity, and soil water retention curves. Soil water content and matric potential were measured indirectly at several depths below the soil surface to document hydrologic states underneath the ash layer in the unsaturated zone, whereas precipitation and surface runoff were measured directly. Measurements of soil water content showed that almost no water infiltrated below the ash layer into the near-surface soil in the burned site at the storm time scale (i.e., minutes to hours). Runoff generation processes were controlled by and highly sensitive to ash thickness and ash hydraulic properties. The ash layer stored from 97% to 99% of rainfall, which was critical for reducing runoff amounts. The hydrologic response to two rain storms with different rainfall amounts, rainfall intensity, and durations, only ten days apart, indicated that runoff generation was predominantly by the saturation-excess mechanism perched at the ash-soil interface during the first storm and predominantly by the infiltration-excess mechanism at the ash surface during the second storm. Contributing area was not static for the two storms and was 4% (saturation excess) to 68% (infiltration excess) of the catchment area. Our results showed the importance of including hydrologic conditions and hydraulic properties of the ash layer in postwildfire runoff generation models.
Bent-core fiber structure: Experimental and theoretical studies of fiber stability

NASA Astrophysics Data System (ADS)

Bailey, C.; Gartland, E.; Jakli, A.

2007-03-01

Recent studies have shown that bent core liquid crystals in the B7 and B2 phases can form stable freestanding fibers with a so called ``jelly-roll'' layer configuration, which means that the smectic layers would be arranged in concentric cylindrical shells. This configuration shows layer curvature is necessary for fiber stability. Classically this effect would destabilize the fiber configuration because of the energy cost of layer distortions and surface tension. We propose a model that can predict fiber stability in the experimentally observed range of a few micrometers, by assuming that layer curvature can be stabilized by including a term dealing with the linear divergence of the polarization direction if the polarization is allowed to have a component normal to the smectic layers. We show that this term can stabilize the fiber configuration if its strength is larger than the surface tension. We also propose an entropic model to explain the strength of this term by considering steric effects. Finally we will take results from this model and apply them to better understand experimental findings of bent-core fibers. Financial support by NSF FRG under contract DMS-0456221. Prof. Daniel Phillips, Particia Bauman and Jie Shen at Purdue Univ., Prof. Maria Carme Calderer at Univ. of Minnesota, and Prof. Jonathan Selinger at Kent State Univ. Liou Qiu and Dr. O.D. Lavrentovich, Characterization Facilities, Liquid Crystal Institute, Kent State Univ. Julie Kim and Dr. Quan Li, Chemical Synthesis Facilities, Liquid Crystal Institute, Kent State Univ.
Spatial and thickness dependence of coupling interaction of surface states and influence on transport and optical properties of few-layer Bi2Se3

NASA Astrophysics Data System (ADS)

Li, Zhongjun; Chen, Shi; Sun, Jiuyu; Li, Xingxing; Qiu, Huaili; Yang, Jinlong

2018-02-01

Coupling interaction between the bottom and top surface electronic states and the influence on transport and optical properties of Bi2Se3 thin films with 1-8 quintuple layers (QLs) have been investigated by first principles calculations. Obvious spatial and thickness dependences of coupling interaction are found by analyzing hybridization of two surface states. In the thin film with a certain thickness, from the outer to inner atomic layers, the coupling interaction exhibits an increasing trend. On the other hand, as thickness increases, the coupling interaction shows a disproportionate decrease trend. Moreover, the system with 3 QLs exhibits stronger interaction than that with 2 QLs. The presence of coupling interaction would suppress destructive interference of surface states and enhance resistance in various degrees. In view of the inversely proportional relation to transport channel width, the resistance of thin films should show disproportionate thickness dependence. This prediction is qualitatively consistent with the transport measurements at low temperature. Furthermore, the optical properties also exhibit obvious thickness dependence. Especially as the thickness increases, the coupling interaction results in red and blue shifts of the multiple-peak structures in low and high energy regions of imaginary dielectric function, respectively. The red shift trend is in agreement with the recent experimental observation and the blue shift is firstly predicted by the present calculation. The present results give a concrete understanding of transport and optical properties in devices based on Bi2Se3 thin films with few QLs.
Toward the existence of ultrafast diffusion paths in Cu with a gradient microstructure: Room temperature diffusion of Ni

NASA Astrophysics Data System (ADS)

Wang, Z. B.; Lu, K.; Wilde, G.; Divinski, S.

2008-09-01

Room temperature diffusion of Ni63 in Cu with a gradient microstructure prepared by surface mechanical attrition treatment (SMAT) was investigated by applying the radiotracer technique. The results reveal significant penetration of Ni into the nanostructured layer. The relevant diffusivity is higher than that along the conventional high-angle grain boundaries by about six orders of magnitude. This behavior is associated with a higher energy state of internal interfaces produced via plastic deformation. The diffusivity in the top surface layer is somewhat smaller than that in the subsurface layer. This fact is related to nanotwin formation in the former during SMAT.
Enhancing the electrochemical performance of Li-rich layered oxide Li1.13Ni0.3Mn0.57O2 via WO3 doping and accompanying spontaneous surface phase formation

NASA Astrophysics Data System (ADS)

Huang, Jiajia; Liu, Haodong; Hu, Tao; Meng, Ying Shirley; Luo, Jian

2018-01-01

WO3 doping and accompanying spontaneous formation of a surface phase can substantially improve the discharge capacity, rate capability, and cycling stability of Co-free Li-rich layered oxide Li1.13Ni0.3Mn0.57O2 cathode material. X-ray photoelectron spectroscopy, in conjunction with ion sputtering, shows that W segregates to the particle surfaces, decreases the surface Ni/Mn ratio, and changes the surface valence state. High-resolution transmission electron microscopy further suggests that W segregation increases surface structural disorder. The spontaneous and simultaneous changes in the surface structure, composition, and valence state represent the formation of a surface phase (complexion) as the preferred surface thermodynamic state. Consequently, the averaged discharge capacity is increased by ∼13% from 251 to 284 mAh g-1 at a low rate of C/20 and by ∼200% from 30 to 90 mAh g-1 at a high rate of 40C, in comparison with an undoped specimen processed under identical conditions. Moreover, after 100 cycles at a charge/discharge rate of 1C, the WO3 doped specimen retained a discharge capacity of 188 mAh g-1, being 27% higher than that of the undoped specimen. In a broader context, this work exemplifies an opportunity of utilizing spontaneously-formed surface phases as a scalable and cost-effective method to improve materials properties.
Modification of the sample's surface of hypereutectic silumin by pulsed electron beam

NASA Astrophysics Data System (ADS)

Rygina, M. E.; Ivanov, Yu F.; Lasconev, A. P.; Teresov, A. D.; Cherenda, N. N.; Uglov, V. V.; Petricova, E. A.; Astashinskay, M. V.

2016-04-01

The article presents the results of the analysis of the elemental and phase composition, defect substructures. It demonstrates strength and tribological characteristics of the aluminium-silicon alloy of the hypereutectic composition in the cast state and after irradiation with a high-intensity pulsed electron beam of a submillisecond exposure duration (a Solo installation, Institute of High Current Electrons of the Siberian Branch of the Russian Academy of Sciences). The research has been conducted using optical and scanning electron microscopy, and the X-ray phase analysis. Mechanical properties have been characterized by microhardness, tribological properties - by wear resistance and the friction coefficient value. Irradiation of silumin with the high-intensity pulsed electron beam has led to the modification of the surface layer up to 1000 microns thick. The surface layer with the thickness of up to 100 microns is characterized by melting of all phases present in the alloy; subsequent highspeed crystallization leads to the formation of a submicro- and nanocrystalline structure in this layer. The hardness of the modified layer decreases with the increasing distance from the surface exposure. The hardness of the surface layer is more than twice the hardness of cast silumin. Durability of silumin treated with a high intensity electron beam is ≈ 1, 2 times as much as the wear resistance of the cast material.
Definition of criteria for estimating alternative technologies of increasing quality of rotor shaft neck by electroerosive alloying and surface plastic deformation methods

NASA Astrophysics Data System (ADS)

Martsynkovskyy, V.; Kirik, G.; Tarelnyk, V.; Zharkov, P.; Konoplianchenko, Ie; Dovzhyk, M.

2017-08-01

There are represented the results of influence of the surface plastic deformation (SPD) methods, namely, diamond smoothing (DS) and ball-rolling surface roughness generation (BSRG) ones on the qualitative parameters (residual stresses, fatigue strength and wear resistance values) of the steel substrate surface layers formed by the electroerosive alloying (EEA) method. There are proposed the most rational methods of deformation and also the composition for electroerosive coatings providing the presence of the favorable residual compressive stresses in the surface layer, increasing fatigue strength and wear resistance values. There are stated the criteria for estimating the alternative variants of the combined technologies and choosing the most rational ones thereof.
Strain relaxation of thick (11–22) semipolar InGaN layer for long wavelength nitride-based device

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Jaehwan; Min, Daehong; Jang, Jongjin

2014-10-28

In this study, the properties of thick stress-relaxed (11–22) semipolar InGaN layers were investigated. Owing to the inclination of growth orientation, misfit dislocations (MDs) occurred at the heterointerface when the strain state of the (11–22) semipolar InGaN layers reached the critical point. We found that unlike InGaN layers based on polar and nonpolar growth orientations, the surface morphologies of the stress-relaxed (11–22) semipolar InGaN layers did not differ from each other and were similar to the morphology of the underlying GaN layer. In addition, misfit strain across the whole InGaN layer was gradually relaxed by MD formation at the heterointerface.more » To minimize the effect of surface roughness and defects in GaN layers on the InGaN layer, we conducted further investigation on a thick (11–22) semipolar InGaN layer grown on an epitaxial lateral overgrown GaN template. We found that the lateral indium composition across the whole stress-relaxed InGaN layer was almost uniform. Therefore, thick stress-relaxed (11–22) semipolar InGaN layers are suitable candidates for use as underlying layers in long-wavelength devices, as they can be used to control strain accumulation in the heterostructure active region without additional influence of surface roughness.« less
An equivalent layer magnetization model for the United States derived from MAGSAT data

NASA Technical Reports Server (NTRS)

Mayhew, M. A.; Galliher, S. C. (Principal Investigator)

1982-01-01

Long wavelength anomalies in the total magnetic field measured field measured by MAGSAT over the United States and adjacent areas are inverted to an equivalent layer crustal magnetization distribution. The model is based on an equal area dipole grid at the Earth's surface. Model resolution having physical significance, is about 220 km for MAGSAT data in the elevation range 300-500 km. The magnetization contours correlate well with large-scale tectonic provinces.
Interface properties of MIS structures based on hetero-epitaxial graded-gap Hg1-xCdxTe with CdTe interlayer created in situ during MBE growth

NASA Astrophysics Data System (ADS)

Voitsekhovskii, Alexander V.; Nesmelov, Sergey N.; Dzyadukh, Stanislav M.; Varavin, Vasily S.; Dvoretsky, Sergey A.; Mikhailov, Nikolay N.; Yakushev, Maksim V.; Sidorov, Georgy Yu.

2017-11-01

Heterostructures based on n-Hg1-xCdxTe (x = 0.23-0.40) with near-surface graded-gap layers were grown by molecular beam epitaxy on Si (013) substrates. At 77 K, the admittance of the In/Al2O3/Hg1-xCdxTe metal-insulator-semiconductor (MIS) structures with grown in situ CdTe intermediate layer and without such a layer was investigated. It has been established that MIS structures of In/Al2O3/Hg1-xCdxTe with an interlayer of in situ grown CdTe are characterized by the electrical strength of the dielectric and the qualitative interface. The hysteresis of the capacitive characteristics is practically absent within a small range of variation in the bias voltage. The density of fast surface states at the minimum does not exceed 2.2 × 1010 eV-1 cm-2. MIS structures of In/Al2O3/Hg1-xCdxTe without an intermediate layer of CdTe have significantly higher densities of fast and slow surface states, as well as lower values of the differential resistance of the space-charge region in the regime of strong inversion.
Non-destructive characterization of corroded glass surfaces by spectroscopic ellipsometry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kaspar, Tiffany C.; Reiser, Joelle T.; Ryan, Joseph V.

Characterization of the alteration layers that form on glass surfaces during corrosion processes provides valuable information on both the mechanisms and rate of glass alteration. In recent years, state-of-the-art materials and surface characterization techniques have been employed to study various aspects of the alteration layers that result from corrosion. In most cases, these techniques are destructive and thus can only be employed at the end of the corrosion experiment. We show that the alteration layers can be investigated by non-destructive spectroscopic ellipsometry (SE), which provides pertinent information on alteration layer thickness, morphology, and, through correlation of the index of refraction,more » porosity. SE measurements of silicate glass coupons altered in aqueous solutions of pH 3, 5, 7, 9, and 11 at 90 °C for 7 days are compared to cross-sectional secondary electron microscopy images. In most cases, quantitative agreement of the alteration layer thickness is obtained. The fractional porosity calculated from the index of refraction is lower than the porosity calculated from elemental analysis of the aqueous solutions, indicating that the alteration layer has compacted during corrosion or the subsequent supercritical CO 2 drying process. Our results confirm the utility of performing non-destructive SE measurements on corroded glass surfaces.« less
Non-destructive characterization of corroded glass surfaces by spectroscopic ellipsometry

DOE PAGES

Kaspar, Tiffany C.; Reiser, Joelle T.; Ryan, Joseph V.; ...

2017-11-03

Characterization of the alteration layers that form on glass surfaces during corrosion processes provides valuable information on both the mechanisms and rate of glass alteration. In recent years, state-of-the-art materials and surface characterization techniques have been employed to study various aspects of the alteration layers that result from corrosion. In most cases, these techniques are destructive and thus can only be employed at the end of the corrosion experiment. We show that the alteration layers can be investigated by non-destructive spectroscopic ellipsometry (SE), which provides pertinent information on alteration layer thickness, morphology, and, through correlation of the index of refraction,more » porosity. SE measurements of silicate glass coupons altered in aqueous solutions of pH 3, 5, 7, 9, and 11 at 90 °C for 7 days are compared to cross-sectional secondary electron microscopy images. In most cases, quantitative agreement of the alteration layer thickness is obtained. The fractional porosity calculated from the index of refraction is lower than the porosity calculated from elemental analysis of the aqueous solutions, indicating that the alteration layer has compacted during corrosion or the subsequent supercritical CO 2 drying process. Our results confirm the utility of performing non-destructive SE measurements on corroded glass surfaces.« less
Quasi-2D Liquid State at Metal-Organic Interface and Adsorption State Manipulation

NASA Astrophysics Data System (ADS)

Mehdizadeh, Masih

The metal/organic interface between noble metal close-packed (111) surfaces and organic semiconducting molecules is studied using Scanning tunneling microscopy and Photoelectron Spectroscopy, supplemented by first principles density functional theory calculations and Markov Chain Monte Carlo simulations. Copper Phthalocyanine molecules were shown to have dual adsorption states: a liquid state where intermolecular interactions were shown to be repulsive in nature and largely due to entropic effects, and a disordered immobilized state triggered by annealing or applying a tip-sample bias larger than a certain temperature or voltage respectively where intermolecular forces were demonstrated to be attractive. A methodology for altering molecular orientation on the aforementioned surfaces is also proposed through introduction of a Fullerene C60 buffer layer. Density functional theory calculations demonstrate orientation-switching of Copper Phthalocyanine molecules based on the amount of charges transferred to/from the substrate to the C60-CuPc layers; suggesting existence of critical substrate work functions that cause reorientation.

Enhancement of the Accelerating Gradient in Superconducting Microwave Resonators

DOE Office of Scientific and Technical Information (OSTI.GOV)

Checchin, Mattia; Grassellino, Anna; Martinello, Martina

2017-05-01

The accelerating gradient of superconducting resonators can be enhanced by engineering the thickness of a dirty layer grown at the cavity's rf surface. In this paper the description of the physics behind the accelerating gradient enhancement by meaning of the dirty layer is carried out by solving numerically the the Ginzburg-Landau (GL) equations for the layered system. The calculation shows that the presence of the dirty layer stabilizes the Meissner state up to the lower critical field of the bulk, increasing the maximum accelerating gradient.
Layers of air in the water beneath the floating fern Salvinia are exposed to fluctuations in pressure.

PubMed

Mayser, Matthias J; Barthlott, Wilhelm

2014-12-01

Superhydrophobic, hierarchically structured, technical surfaces (Lotus-effect) are of high scientific and economic interest because of their remarkable properties. Recently, the immense potential of air-retaining superhydrophobic surfaces, for example, for low-friction transport of fluids and drag-reducing coatings of ships has begun to be explored. A major problem of superhydrophobic surfaces mimicking the Lotus-effect is the limited persistence of the air retained, especially under rough conditions of flow. However, there are a variety of floating or diving plant and animal species that possess air-retaining surfaces optimized for durable water-repellency (Salvinia-effect). Especially floating ferns of the genus Salvinia have evolved superhydrophobic surfaces capable of maintaining layers of air for months. Apart from maintaining stability under water, the layer of air has to withstand the stresses of water pressure (up to 2.5 bars). Both of these aspects have an application to create permanent air layers on ships' hulls. We investigated the effect of pressure on air layers in a pressure cell and exposed the air layer to pressures of up to 6 bars. We investigated the suppression of the air layer at increasing pressures as well as its restoration during decreases in pressure. Three of the four examined Salvinia species are capable of maintaining air layers at pressures relevant to the conditions applying to ships' hulls. High volumes of air per surface area are advantageous for retaining at least a partial Cassie-Baxter-state under pressure, which also helps in restoring the air layer after depressurization. Closed-loop structures such as the baskets at the top of the "egg-beater hairs" (see main text) also help return the air layer to its original level at the tip of the hairs by trapping air bubbles. © The Author 2014. Published by Oxford University Press on behalf of the Society for Integrative and Comparative Biology. All rights reserved. For permissions please email: journals.permissions@oup.com.
Crystallinity of tellurium capping and epitaxy of ferromagnetic topological insulator films on SrTiO 3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Park, Jihwey; Soh, Yeong-Ah; Aeppli, Gabriel

2015-06-30

Thin films of topological insulators are often capped with an insulating layer since topological insulators are known to be fragile to degradation. However, capping can hinder the observation of novel transport properties of the surface states. To understand the influence of capping on the surface states, it is crucial to understand the crystal structure and the atomic arrangement at the interfaces. Here, we use x-ray diffraction to establish the crystal structure of magnetic topological insulator Cr-doped (Bi,Sb) 2Te 3 (CBST) films grown on SrTiO 3 (1 1 1) substrates with and without a Te capping layer. We find that bothmore » the film and capping layer are single crystal and that the crystal quality of the film is independent of the presence of the capping layer, but that x-rays cause sublimation of the CBST film, which is prevented by the capping layer. Our findings show that the different transport properties of capped films cannot be attributed to a lower crystal quality but to a more subtle effect such as a different electronic structure at the interface with the capping layer. Our results on the crystal structure and atomic arrangements of the topological heterostructure will enable modelling the electronic structure and design of topological heterostructures.« less
Diffusion and surface alloying of gradient nanostructured metals

PubMed Central

Lu, Ke

2017-01-01

Gradient nanostructures (GNSs) have been optimized in recent years for desired performance. The diffusion behavior in GNS metals is crucial for understanding the diffusion mechanism and relative characteristics of different interfaces that provide fundamental understanding for advancing the traditional surface alloying processes. In this paper, atomic diffusion, reactive diffusion, and surface alloying processes are reviewed for various metals with a preformed GNS surface layer. We emphasize the promoted atomic diffusion and reactive diffusion in the GNS surface layer that are related to a higher interfacial energy state with respect to those in relaxed coarse-grained samples. Accordingly, different surface alloying processes, such as nitriding and chromizing, have been modified significantly, and some diffusion-related properties have been enhanced. Finally, the perspectives on current research in this field are discussed. PMID:28382244
Theory of multiple quantum dot formation in strained-layer heteroepitaxy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Du, Lin; Maroudas, Dimitrios, E-mail: maroudas@ecs.umass.edu

2016-07-11

We develop a theory for the experimentally observed formation of multiple quantum dots (QDs) in strained-layer heteroepitaxy based on surface morphological stability analysis of a coherently strained epitaxial thin film on a crystalline substrate. Using a fully nonlinear model of surface morphological evolution that accounts for a wetting potential contribution to the epitaxial film's free energy as well as surface diffusional anisotropy, we demonstrate the formation of multiple QD patterns in self-consistent dynamical simulations of the evolution of the epitaxial film surface perturbed from its planar state. The simulation predictions are supported by weakly nonlinear analysis of the epitaxial filmmore » surface morphological stability. We find that, in addition to the Stranski-Krastanow instability, long-wavelength perturbations from the planar film surface morphology can trigger a nonlinear instability, resulting in the splitting of a single QD into multiple QDs of smaller sizes, and predict the critical wavelength of the film surface perturbation for the onset of the nonlinear tip-splitting instability. The theory provides a fundamental interpretation for the observations of “QD pairs” or “double QDs” and other multiple QDs reported in experimental studies of epitaxial growth of semiconductor strained layers and sets the stage for precise engineering of tunable-size nanoscale surface features in strained-layer heteroepitaxy by exploiting film surface nonlinear, pattern forming phenomena.« less
Modulation of Morphology and Optical Property of Multi-Metallic PdAuAg and PdAg Alloy Nanostructures.

PubMed

Pandey, Puran; Kunwar, Sundar; Sui, Mao; Bastola, Sushil; Lee, Jihoon

2018-05-16

In this work, the evolution of PdAg and PdAuAg alloy nanostructures is demonstrated on sapphire (0001) via the solid-state dewetting of multi-metallic thin films. Various surface configurations, size, and arrangements of bi- and tri-metallic alloy nanostructures are fabricated as a function of annealing temperature, annealing duration, film thickness, and deposition arrangements such as bi-layers (Pd/Ag), tri-layers (Pd/Au/Ag), and multi-layers (Pd/Au/Ag × 5). Specifically, the tri-layers film shows the gradual evolution of over-grown NPs, voids, wiggly nanostructures, and isolated PdAuAg alloy nanoparticles (NPs) along with the increased annealing temperature. In contrast, the multi-layers film with same thickness show the enhanced dewetting rate, which results in the formation of voids at relatively lower temperature, wider spacing, and structural regularity of alloy NPs at higher temperature. The dewetting enhancement is attributed to the increased number of interfaces and reduced individual layer thickness, which aid the inter-diffusion process at the initial stage. In addition, the time evolution of the Pd 150 nm /Ag 80 nm bi-layer films at constant temperature show the wiggly-connected and isolated PdAg alloy NPs. The overall evolution of alloy NPs is discussed based on the solid-state dewetting mechanism in conjunction with the diffusion, inter-diffusion, alloying, sublimation, Rayleigh instability, and surface energy minimization. Depending upon their surface morphologies, the bi- and tri-metallic alloy nanostructures exhibit the dynamic reflectance spectra, which show the formation of dipolar (above 700 nm) and quadrupolar resonance peaks (~ 380 nm) and wide dips in the visible region as correlated to the localized surface plasmon resonance (LSPR) effect. An absorption dip is readily shifted from ~ 510 to ~ 475 nm along with the decreased average size of alloy nanostructures.
Modulation of Morphology and Optical Property of Multi-Metallic PdAuAg and PdAg Alloy Nanostructures

NASA Astrophysics Data System (ADS)

Pandey, Puran; Kunwar, Sundar; Sui, Mao; Bastola, Sushil; Lee, Jihoon

2018-05-01

In this work, the evolution of PdAg and PdAuAg alloy nanostructures is demonstrated on sapphire (0001) via the solid-state dewetting of multi-metallic thin films. Various surface configurations, size, and arrangements of bi- and tri-metallic alloy nanostructures are fabricated as a function of annealing temperature, annealing duration, film thickness, and deposition arrangements such as bi-layers (Pd/Ag), tri-layers (Pd/Au/Ag), and multi-layers (Pd/Au/Ag × 5). Specifically, the tri-layers film shows the gradual evolution of over-grown NPs, voids, wiggly nanostructures, and isolated PdAuAg alloy nanoparticles (NPs) along with the increased annealing temperature. In contrast, the multi-layers film with same thickness show the enhanced dewetting rate, which results in the formation of voids at relatively lower temperature, wider spacing, and structural regularity of alloy NPs at higher temperature. The dewetting enhancement is attributed to the increased number of interfaces and reduced individual layer thickness, which aid the inter-diffusion process at the initial stage. In addition, the time evolution of the Pd150 nm/Ag80 nm bi-layer films at constant temperature show the wiggly-connected and isolated PdAg alloy NPs. The overall evolution of alloy NPs is discussed based on the solid-state dewetting mechanism in conjunction with the diffusion, inter-diffusion, alloying, sublimation, Rayleigh instability, and surface energy minimization. Depending upon their surface morphologies, the bi- and tri-metallic alloy nanostructures exhibit the dynamic reflectance spectra, which show the formation of dipolar (above 700 nm) and quadrupolar resonance peaks ( 380 nm) and wide dips in the visible region as correlated to the localized surface plasmon resonance (LSPR) effect. An absorption dip is readily shifted from 510 to 475 nm along with the decreased average size of alloy nanostructures.
Towards spin-polarized two-dimensional electron gas at a surface of an antiferromagnetic insulating oxide

DOE PAGES

Mishra, Rohan; Kim, Young -Min; He, Qian; ...

2016-07-18

Here, the surfaces of transition-metal oxides with the perovskite structure are fertile grounds for the discovery of novel electronic and magnetic phenomena. In this article, we combine scanning transmission electron microscopy (STEM) with density functional theory (DFT) calculations to obtain the electronic and magnetic properties of the (001) surface of a (LaFeO 3) 8/(SrFeO 3) 1 superlattice film capped with four layers of LaFeO 3. Simultaneously acquired STEM images and electron-energy-loss spectra reveal the surface structure and a reduction in the oxidation state of iron from Fe 3+ in the bulk to Fe 2+ at the surface, extending over severalmore » atomic layers, which signals the presence of oxygen vacancies. The DFT calculations confirm the reduction in terms of oxygen vacancies and further demonstrate the stabilization of an exotic phase in which the surface layer is half metallic and ferromagnetic, while the bulk remains antiferromagnetic and insulating. Based on the calculations, we predict that the surface magnetism and conductivity can be controlled by tuning the partial pressure of oxygen.« less
Layered structure and related magnetic properties for annealed Fe/Ir(111) ultrathin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiang, Pei-Cheng; Chen, Wei-Hsiang; Hsieh, Chen-Yuan

2015-05-07

After annealing treatments for fcc-Fe/Ir(111) below 600 K, the surface layers remain pseudomorphic. The Ir(111) substrate plays an important role on the expanded Fe lattice. At temperatures between 750 and 800 K, the surface composition shows a stable state and a c(2 × 4) structure is observed. We discover a layered structure composed of some Fe atoms on the top of a Fe{sub 0.5}Ir{sub 0.5} interfacial alloy supported on the Ir(111) substrate. The competition between the negative formation heat of Fe{sub 0.5}Ir{sub 0.5} and surface free energy of Fe causes the formation of layered structure. The existence of ferromagnetic dead layer coincides with themore » formation of fcc-Fe for ultrathin Fe on Fe{sub 0.5}Ir{sub 0.5}/Ir(111). For Fe films thicker than three monolayers, the linear increase of the Kerr intensity versus the Fe coverage is related to the growing of bcc-Fe on the surface where the Fe layer is incoherent to the underlying Fe{sub 0.5}Ir{sub 0.5}/Ir(111). These results emphasize the importance of the substrate induced strain and layered structure of Fe/Fe{sub 0.5}Ir{sub 0.5}/Ir(111) on the magnetic properties and provide valuable information for future applications.« less
Virtual ellipsometry on layered micro-facet surfaces.

PubMed

Wang, Chi; Wilkie, Alexander; Harcuba, Petr; Novosad, Lukas

2017-09-18

Microfacet-based BRDF models are a common tool to describe light scattering from glossy surfaces. Apart from their wide-ranging applications in optics, such models also play a significant role in computer graphics for photorealistic rendering purposes. In this paper, we mainly investigate the computer graphics aspect of this technology, and present a polarisation-aware brute force simulation of light interaction with both single and multiple layered micro-facet surfaces. Such surface models are commonly used in computer graphics, but the resulting BRDF is ultimately often only approximated. Recently, there has been work to try to make these approximations more accurate, and to better understand the behaviour of existing analytical models. However, these brute force verification attempts still emitted the polarisation state of light and, as we found out, this renders them prone to mis-estimating the shape of the resulting BRDF lobe for some particular material types, such as smooth layered dielectric surfaces. For these materials, non-polarising computations can mis-estimate some areas of the resulting BRDF shape by up to 23%. But we also identified some other material types, such as dielectric layers over rough conductors, for which the difference turned out to be almost negligible. The main contribution of our work is to clearly demonstrate that the effect of polarisation is important for accurate simulation of certain material types, and that there are also other common materials for which it can apparently be ignored. As this required a BRDF simulator that we could rely on, a secondary contribution is that we went to considerable lengths to validate our software. We compare it against a state-of-art model from graphics, a library from optics, and also against ellipsometric measurements of real surface samples.
Superconducting pairing of topological surface states in bismuth selenide films on niobium

PubMed Central

Zhang, Can; Tsuzuki, Akihiro

2018-01-01

A topological insulator film coupled to a simple isotropic s-wave superconductor substrate can foster helical pairing of the Dirac fermions associated with the topological surface states. Experimental realization of such a system is exceedingly difficult, however using a novel “flip-chip” technique, we have prepared single-crystalline Bi2Se3 films with predetermined thicknesses in terms of quintuple layers (QLs) on top of Nb substrates fresh from in situ cleavage. Our angle-resolved photoemission spectroscopy (ARPES) measurements of the film surface disclose superconducting gaps and coherence peaks of similar magnitude for both the topological surface states and bulk states. The ARPES spectral map as a function of temperature and film thickness up to 10 QLs reveals key characteristics relevant to the mechanism of coupling between the topological surface states and the superconducting Nb substrate; the effective coupling length is found to be much larger than the decay length of the topological surface states. PMID:29719866
Deposition, Heat Treatment And Characterization of Two Layer Bioactive Coatings on Cylindrical PEEK

PubMed Central

Durham, John W.; Rabiei, Afsaneh

2015-01-01

Polyether ether ketone (PEEK) rods were coated via ion beam asssited deposition (IBAD) at room temperature. The coating consists of a two-layer design of yttria-stabilized zirconia (YSZ) as a heat-protection layer, and hydroxyapatite (HA) as a top layer to increase bioactivity. A rotating substrate holder was designed to deposit an even coating on the cylindrical surface of PEEK rods; the uniformity is verified by cross-sectional measurements using scanning electron microscopy (SEM). Deposition is followed by heat treatment of the coating using microwave annealing and autoclaving. Transmission electron microscopy (TEM) showed a dense, uniform columnar grain structure in the YSZ layer that is well bonded to the PEEK substrate, while the calcium phosphate layer was amorphous and pore-free in its as-deposited state. Subsequent heat treatment via microwave energy introduced HA crystallization in the calcium phosphate layer and additional autoclaving further expanded the crystallization of the HA layer. Chemical composition evaluation of the coating indicated the Ca/P ratios of the HA layer to be near that of stoichiometric HA, with minor variations through the HA layer thickness. The adhesion strength of as-deposited HA/YSZ coatings on smooth, polished PEEK surfaces was mostly unaffected by microwave heat treatment, but decreased with additional autoclave treatment. Increasing surface roughness showed improvement of bond strength. PMID:27713592
Microstructure and properties of Ti-Al intermetallic/Al2O3 layers produced on Ti6Al2Mo2Cr titanium alloy by PACVD method

NASA Astrophysics Data System (ADS)

Sitek, R.; Bolek, T.; Mizera, J.

2018-04-01

The paper presents investigation of microstructure and corrosion resistance of the multi-component surface layers built of intermetallic phases of the Ti-Al system and an outer Al2O3 ceramic sub-layer. The layers were produced on a two phase (α + β) Ti6Al2Mo2Cr titanium alloy using the PACVD method with the participation of trimethylaluminum vapors. The layers are characterized by a high surface hardness and good corrosion, better than that of these materials in the starting state. In order to find the correlation between their structure and properties, the layers were subjected to examinations using optical microscopy, X-ray diffraction analysis (XRD), surface analysis by XPS, scanning electron microscopy (SEM), and analyses of the chemical composition (EDS). The properties examined included: the corrosion resistance and the hydrogen absorptiveness. Moreover growth of the Al2O3 ceramic layer and its influence on the residual stress distribution was simulated using finite element method [FEM]. The results showed that the produced layer has amorphous-nano-crystalline structure, improved corrosion resistance and reduces the permeability of hydrogen as compared with the base material of Ti6Al2Mo2Cr -titanium alloy.
Modification of the large-scale features of high Reynolds number wall turbulence by passive surface obtrusions

NASA Astrophysics Data System (ADS)

Monty, J. P.; Allen, J. J.; Lien, K.; Chong, M. S.

2011-12-01

A high Reynolds number boundary-layer wind-tunnel facility at New Mexico State University was fitted with a regularly distributed braille surface. The surface was such that braille dots were closely packed in the streamwise direction and sparsely spaced in the spanwise direction. This novel surface had an unexpected influence on the flow: the energy of the very large-scale features of wall turbulence (approximately six-times the boundary-layer thickness in length) became significantly attenuated, even into the logarithmic region. To the author's knowledge, this is the first experimental study to report a modification of `superstructures' in a rough-wall turbulent boundary layer. The result gives rise to the possibility that flow control through very small, passive surface roughness may be possible at high Reynolds numbers, without the prohibitive drag penalty anticipated heretofore. Evidence was also found for the uninhibited existence of the near-wall cycle, well known to smooth-wall-turbulence researchers, in the spanwise space between roughness elements.
The effect of magnetic and non-magnetic ion damage on the surface state in SmB 6

DOE PAGES

Wakeham, N.; Wen, J.; Wang, Y. Q.; ...

2015-07-14

SmB 6 is a Kondo insulator with a band structure that is topologically distinct from the vacuum. We theoretically predict this in order to produce metallic topological surface states that are robust to perturbations that do not break time reversal symmetry, such as non-magnetic defects. But, the surface state may be destroyed by an impurity with a sufficiently large magnetic moment. In order to test this prediction we show measurements of the resistance of the surface state of single crystals of SmB 6 with varying levels of damage induced by magnetic and non-magnetic ion irradiation. Finally, we find that atmore » a sufficiently high concentration of damage the surface state reconstructs below an amorphous damaged layer, whether the damage was caused by a magnetic or non-magnetic ion.« less
Magnetically Defined Qubits on 3D Topological Insulators

NASA Astrophysics Data System (ADS)

Ferreira, Gerson J.; Loss, Daniel

2014-03-01

We explore potentials that break time-reversal symmetry to confine the surface states of 3D topological insulators into quantum wires and quantum dots. A magnetic domain wall on a ferromagnet insulator cap layer provides interfacial states predicted to show the quantum anomalous Hall effect. Here, we show that confinement can also occur at magnetic domain heterostructures, with states extended in the inner domain, as well as interfacial QAHE states at the surrounding domain walls. The proposed geometry allows the isolation of the wire and dot from spurious circumventing surface states. For the quantum dots, we find that highly spin-polarized quantized QAHE states at the dot edge constitute a promising candidate for quantum computing qubits. See [Ferreira and Loss, Phys. Rev. Lett. 111, 106802 (2013)]. We explore potentials that break time-reversal symmetry to confine the surface states of 3D topological insulators into quantum wires and quantum dots. A magnetic domain wall on a ferromagnet insulator cap layer provides interfacial states predicted to show the quantum anomalous Hall effect. Here, we show that confinement can also occur at magnetic domain heterostructures, with states extended in the inner domain, as well as interfacial QAHE states at the surrounding domain walls. The proposed geometry allows the isolation of the wire and dot from spurious circumventing surface states. For the quantum dots, we find that highly spin-polarized quantized QAHE states at the dot edge constitute a promising candidate for quantum computing qubits. See [Ferreira and Loss, Phys. Rev. Lett. 111, 106802 (2013)]. We acknowledge support from the Swiss NSF, NCCR Nanoscience, NCCR QSIT, and the Brazillian Research Support Center Initiative (NAP Q-NANO) from Pró-Reitoria de Pesquisa (PRP/USP).
Bifurcation structure of a wind-driven shallow water model with layer-outcropping

NASA Astrophysics Data System (ADS)

Primeau, François W.; Newman, David

The steady state bifurcation structure of the double-gyre wind-driven ocean circulation is examined in a shallow water model where the upper layer is allowed to outcrop at the sea surface. In addition to the classical jet-up and jet-down multiple equilibria, we find a new regime in which one of the equilibrium solutions has a large outcropping region in the subpolar gyre. Time dependent simulations show that the outcropping solution equilibrates to a stable periodic orbit with a period of 8 months. Co-existing with the periodic solution is a stable steady state solution without outcropping. A numerical scheme that has the unique advantage of being differentiable while still allowing layers to outcrop at the sea surface is used for the analysis. In contrast, standard schemes for solving layered models with outcropping are non-differentiable and have an ill-defined Jacobian making them unsuitable for solution using Newton's method. As such, our new scheme expands the applicability of numerical bifurcation techniques to an important class of ocean models whose bifurcation structure had hitherto remained unexplored.
Optical response of nanostructured metal/dielectric composites and multilayers

NASA Astrophysics Data System (ADS)

Smith, Geoffrey B.; Maaroof, Abbas I.; Allan, Rodney S.; Schelm, Stefan; Anstis, Geoffrey R.; Cortie, Michael B.

2004-08-01

The homogeneous optical response in conducting nanostructured layers, and in insulating layers containing dense arrays of self assembled conducting nanoparticles separated by organic linkers, is examined experimentally through their effective complex indices (n*, k*). Classical effective medium models, modified to account for the 3-phase nanostructure, are shown to explain (n*, k*) in dense particulate systems but not inhomogeneous layers with macroscopic conductance for which a different approach to homogenisation is discussed. (n*, k*) data on thin granular metal films, thin mesoporous gold, and on thin metal layers containing ordered arrays of voids, is linked to properties of the surface plasmon states which span the nanostructured film. Coupling between evanescent waves at either surface counterbalanced by electron scattering losses must be considered. Virtual bound states for resonant photons result, with the associated transit delay leading to a large rise in n* in many nanostructures. Overcoating n-Ag with alumina is shown to alter (n*, k*) through its impact on the SP coupling. In contrast to classical optical homogenisation, effective indices depend on film thickness. Supporting high resolution SEM images are presented.
Hygroscopicity of a sugarless coating layer formed by the interaction between mannitol and poly(vinyl alcohol) (PVA).

PubMed

Higuchi, Masaharu; Tanaka, Shouko; Tamura, Koichi; Sakata, Yukoh

2014-11-01

A sugarless layer that provides protection against moisture is formed on tablets when a coating solution comprising mannitol and poly(vinyl alcohol) (PVA) is applied. The objective of this study is to investigate the relationship between the formation of such a sugarless layer and the resulting hygroscopic properties in order to derive an appropriate sugarless coating. The hygroscopicity of the sugarless layer is shown to be strongly affected by the addition of PVA, and has the lowest at concentration ratios between 15:2.5 and 15:4 (w/w) of mannitol and PVA. The polymorphic form of mannitol is different in formulations with different mannitol:PVA concentration ratios. Mannitol occurs in the α-form at mannitol:PVA concentration ratios between 15:1 and 15:4 (w/w). Moreover, PVA affects the molecular motions in the region associated with the OH stretch, OH deformation, and CH2 wag of mannitol. In particular, the molecular motions change considerably at mannitol:PVA concentration ratio of 15:2.5 and 15:4 (w/w). In addition, the surface state of the sugarless layer depends on the amount of PVA added, and exhibits the smoothest surface at a mannitol:PVA concentration ratio between 15:2.5 and 15:4 (w/w). Thus, the hygroscopicity is related to the surface states of the sugarless layer, which, in turn, is affected by the change in the molecular motions of mannitol due to the interactions between mannitol and PVA. Copyright © 2014 Elsevier B.V. All rights reserved.
Structural and electronic properties of low-index stoichiometric Cu2ZnSnS4 surfaces

NASA Astrophysics Data System (ADS)

Jia, Zhan-Ju; Wang, Yu-An; Zhao, Zong-Yan; Liu, Qing-Ju

2018-05-01

Over the past few years, quaternary Cu2ZnSnS4 (CZTS) has attracted a great deal of attention as the most promising photovoltaic absorber layer, due to its abundance and non-toxic properties. However, the significant surface structures and properties for photo-catalytic absorption layers have not yet been studied in detail for CZTS. Hence, the surface structure and electronic properties of low-index stoichiometric CZTS surfaces are calculated based on density functional theory. The relaxation is much large for the (001), (100), (101) and (112) surfaces. Moreover, more surface states appear at the bottom of conduction band and the top of valence band. The conduction band is mainly composed of S-3p and Sn-5p orbits. The valence band top is mainly composed of S-3p and Cu-3d orbits. The band gap values of five surfaces do not vary greatly. The dangling bond density for the (112) surfaces is minimal, resulting in minimum surface energy. Finally, the equilibrium morphology of CZTS is constructed by the Wulff rule. It is found that the {101} surface is the dominant surface (72.6%). These results will help us to better understand the surface properties of absorption layer that is related to CZTS surface and provide theoretical support for future experimental studies.

Tunneling Spectroscopy Studies of Epitaxial Graphene on Silicon Carbide(0001) and Its Interfaces

NASA Astrophysics Data System (ADS)

Sandin, Andreas Axel Tomas

A two dimensional network of sp2 bonded carbon atoms is defined as graphene. This novel material possesses remarkable electronic properties due to its unique band structure at the vicinity of the Fermi energy. The toughest challenge to bring use of graphene electronic properties in device geometries is that graphene is exceptionally sensitive to its electrical environment for integration into macroscopic system of electrical contacts and substrates. One of the most promising substrates for graphene is the polar surfaces of SiC for the reason it can be grown epitaxially by sublimating Si from the top-most SiC atomic layers. In this work, the interfaces of graphene grown on the Si-terminated polar surface SiC(0001) is studied in UHV using scanning tunneling microscopy (STM), scanning tunneling spectroscopy (STS), low energy electron diffraction (LEED) and auger electron Spectroscopy (AES). STM is used image the graphene surface and interfaces with the capability of atomic resolution. LEED is used to study surface atomic reciprocal ordering and AES is used to determine surface atomic composition during the graphene formation. Interfacial layer (Buffer layer), Single layer graphene and bilayer graphene are identified electronically by means of probing the first member of the image potential derived state. This state is found by dZ/dV spectroscopy in the high energy unoccupied states and is exceptionally sensitive to electrostatic changes to the surface which is detected by energy shifts of image potential states (IPS). This sensitivity is utilized to probe the graphene screening of external electric fields by varying the electric field in the tunneling junction and addresses the fact that charged impurity scattering is likely to be crucial for epitaxial graphene on SiC(0001) when it comes to transport parameters. Shifts of IPS energy position has also been used verify work function changes for identification of several Sodium Intercalation structures of epitaxial graphene. STS, STM along with DFT calculations are used to determine the interface location of Sodium, SiC-bufferlayer or bufferlayer-graphene intercalation. In this thesis, STM, and STS are used to study the interactions of paramagnetic FePc molecules with epitaxial graphene. The molecules, FePc, is found to interact with the graphene substrate where STM images show substrate induced orientation of FePc densely packed square lattice structure. At sub-monolayer coverages, FePc form a molecular gas at room temperature suggesting a low diffusion barrier on the graphene lattice. The substrate interaction is probed by STS and show an abnormally low LUMO energy that suggest strong electronic coupling between graphene and FePc. DFT calculations support the experimental observations and predict a spin-dependent molecule-graphene hybridization close to the Fermi energy in unoccupied states. For majority spins, DFT demonstrates the Dirac cone splits and a delocalized hybrid state is found in the band gap. For minority spin the Dirac cone is intact with energy of Dirac point empty. In addition, a novel method of improving UHV graphene growth on SiC(0001) is presented. During growth the SiC surface is exposed to atomic hydrogen which allows selective etching of Si over Carbon. This result in more uniform non-thermal formation of the buffer layer with many fewer defects and thus leads to nearly pit-free and defect-free thermal graphene layers.
Turbulent Structure Under Short Fetch Wind Waves

DTIC Science & Technology

2015-12-01

1970) developed the LFT utilizing the concurrent measurement of sea surface elevation (η) and the near surface velocities to isolate the wave...Layers and Air-Sea Transfer program by making very high spatial resolution profile measurements of the 3-D velocity field into the crest-trough...distribution is unlimited TURBULENT STRUCTURE UNDER SHORT FETCH WIND WAVES Michael J. Papa Lieutenant Commander, United States Navy B.S., United States Naval
Turbulent Intensities and Velocity Spectra for Bare and Forested Gentle Hills: Flume Experiments

NASA Astrophysics Data System (ADS)

Poggi, Davide; Katul, Gabriel G.

2008-10-01

To investigate how velocity variances and spectra are modified by the simultaneous action of topography and canopy, two flume experiments were carried out on a train of gentle cosine hills differing in surface cover. The first experiment was conducted above a bare surface while the second experiment was conducted within and above a densely arrayed rod canopy. The velocity variances and spectra from these two experiments were compared in the middle, inner, and near-surface layers. In the middle layer, and for the canopy surface, longitudinal and vertical velocity variances ({σ_u^2,σ_w^2}) were in phase with the hill-induced spatial mean velocity perturbation (Δ u) around the so-called background state (taken here as the longitudinal mean at a given height) as predicted by rapid distortion theory (RDT). However, for the bare surface case, {σ_u^2 } and {σ_w^2 } remained out of phase with Δ u by about L/2, where L is the hill half-length. In the canopy layer, wake production was a significant source of turbulent energy for {σ_w^2 } , and its action was to re-align velocity variances with Δ u in those layers, a mechanism completely absent for the bare surface case. Such a lower ‘boundary condition’ resulted in longitudinal variations of {σ_w^2} to be nearly in phase with Δ u above the canopy surface. In the inner and middle layers, the spectral distortions by the hill remained significant for the background state of the bare surface case but not for the canopy surface case. In particular, in the inner and middle layers of the bare surface case, the effective exponents derived from the locally measured power spectra diverged from their expected - 5/3 value for inertial subrange scales. These departures spatially correlated with the hill surface. However, for the canopy surface case, the spectral exponents were near - 5/3 above the canopy though the minor differences from - 5/3 were also correlated with the hill surface. Inside the canopy, wake production and energy short-circuiting resulted in significant departures from - 5/3. These departures from - 5/3 also appeared correlated with the hill surface through the wake production contribution and its alignment with Δ u. Moreover, scales commensurate with Von Karman street vorticies well described wake production scales inside the canopy, confirming the important role of the mean flow in producing wakes. The spectra inside the canopy on the lee side of the hill, where a negative mean flow delineated a recirculation zone, suggested that the wake production scales there were ‘broader’ when compared to their counterpart outside the recirculation zone. Inside the recirculation zone, there was significantly more energy at higher frequencies when compared to regions outside the recirculation zone.
Wide spectral and wavelength-tunable dissipative soliton fiber laser with topological insulator nano-sheets self-assembly films sandwiched by PMMA polymer.

PubMed

Wang, Qingkai; Chen, Yu; Miao, Lili; Jiang, Guobao; Chen, Shuqing; Liu, Jun; Fu, Xiquan; Zhao, Chujun; Zhang, Han

2015-03-23

Topological insulators have been theoretically predicted as promising candidates for broadband photonics devices due to its large bulk band gap states in association with the spin-momentum-locked mass-less Dirac edge/surface states. Unlike the bulk counterpart, few-layer topological insulators possess some intrinsic optical advantages, such as low optical loss, low saturation intensity and high concentration of surface state. Herein, we use a solvothermal method to prepare few-layer Bi₂Te₃ flakes. By sandwiching few-layer Bi₂Te₃ flakes with polymethyl methacrylate (PMMA) polymer, a novel light modulation device had been successfully fabricated with high chemical and thermal stabilities as well as excellent mechanical durability, originating from the contribution of PMMA acting as buffer layers that counteract excessive mechanical bending within the fragile Bi₂Te₃ flakes. The incorporation of the as-fabricated PMMA-TI-PMMA as saturable absorber, which could bear long-term mechanical loadings, into the fiber laser cavity generated the stable dissipative soliton mode-locking with a 3-dB spectral bandwidth up to 51.62 nm and tunable wavelength range of 22 nm. Our work provides a new way of fabricating PMMA-TI-PMMA sandwiched composite structure as saturable absorber with promising applications for laser operation.
Ultrafast carrier dynamics in GaN/InGaN multiple quantum wells nanorods

NASA Astrophysics Data System (ADS)

Chen, Weijian; Wen, Xiaoming; Latzel, Michael; Yang, Jianfeng; Huang, Shujuan; Shrestha, Santosh; Patterson, Robert; Christiansen, Silke; Conibeer, Gavin

2018-01-01

GaN/InGaN multiple quantum wells (MQW) is a promising material for high-efficiency solid-state lighting. Ultrafast optical pump-probe spectroscopy is an important characterization technique for examining fundamental phenomena in semiconductor nanostructure with sub-picosecond resolution. In this study, ultrafast exciton and charge carrier dynamics in GaN/InGaN MQW planar layer and nanorod are investigated using femtosecond transient absorption (TA) techniques at room temperature. Here nanorods are fabricated by etching the GaN/InGaN MQW planar layers using nanosphere lithography and reactive ion etching. Photoluminescence efficiency of the nanorods have been proved to be much higher than that of the planar layers, but the mechanism of the nanorod structure improvement of PL efficiency is not adequately studied. By comparing the TA profile of the GaN/InGaN MQW planar layers and nanorods, the impact of surface states and nanorods lateral confinement in the ultrafast carrier dynamics of GaN/InGaN MQW is revealed. The nanorod sidewall surface states have a strong influence on the InGaN quantum well carrier dynamics. The ultrafast relaxation processes studied in this GaN/InGaN MQW nanostructure is essential for further optimization of device application.
Crystal Orientation Effect on the Subsurface Deformation of Monocrystalline Germanium in Nanometric Cutting.

PubMed

Lai, Min; Zhang, Xiaodong; Fang, Fengzhou

2017-12-01

Molecular dynamics simulations of nanometric cutting on monocrystalline germanium are conducted to investigate the subsurface deformation during and after nanometric cutting. The continuous random network model of amorphous germanium is established by molecular dynamics simulation, and its characteristic parameters are extracted to compare with those of the machined deformed layer. The coordination number distribution and radial distribution function (RDF) show that the machined surface presents the similar amorphous state. The anisotropic subsurface deformation is studied by nanometric cutting on the (010), (101), and (111) crystal planes of germanium, respectively. The deformed structures are prone to extend along the 110 slip system, which leads to the difference in the shape and thickness of the deformed layer on various directions and crystal planes. On machined surface, the greater thickness of subsurface deformed layer induces the greater surface recovery height. In order to get the critical thickness limit of deformed layer on machined surface of germanium, the optimized cutting direction on each crystal plane is suggested according to the relevance of the nanometric cutting to the nanoindentation.
The influence of various cooling rates during laser alloying on nodular iron surface layer

NASA Astrophysics Data System (ADS)

Paczkowska, Marta; Makuch, Natalia; Kulka, Michał

2018-06-01

The results of research referring to modification of the nodular iron surface layer by laser alloying with cobalt were presented. The aim of this study was to analyze the possibilities of cobalt implementation into the surface layer of nodular iron in various laser heat treatment conditions (by generating different cooling rates of melted surface layer). The modified surface layer of nodular iron was analyzed with OM, SEM, TEM, XRD, EDS and Vickers microhardness tester. The modified surface layer of nodular iron after laser alloying consisted of: the alloyed zone (melted with cobalt), the transition zone and the hardened zone from solid state. The alloyed zone was characterized by higher microstructure homogeneity - in contrast to the transition and the hardened zones. All the alloyed zones contained a dendritic microstructure. Dendrites consisted of martensite needles and retained austenite. Cementite was also detected. It was stated, that due to similar dimension of iron and cobalt atoms, their mutual replacement in the crystal lattice could occur. Thus, formation of phases based on α solution: Co-Fe (44-1433) could not be excluded. Although cobalt should be mostly diluted in solid solutions (because of its content in the alloyed zone), the other newly formed phases as Co (ε-hex.), FeC and cobalt carbides: Co3C, CoC0.25 could be present in the alloyed zones as a result of unique microstructure creation during laser treatment. Pearlite grains were observed in the zone, formed using lower power density of the laser beam and its longer exposition time. Simply, such conditions resulted in the cooling rate which was lower than critical cooling rate. The alloyed zones, produced at a higher cooling rate, were characterized by better microstructure homogeneity. Dendrites were finer in this case. This could result from a greater amount of crystal nuclei appearing at higher cooling rate. Simultaneously, the increased amount of γ-Fe and Fe3C precipitates was expected in the alloyed zone formed at higher cooling rates. The hardness of nodular iron surface layer, alloyed with cobalt, was up to 4-times higher than the hardness of core material. The hardness of alloyed zones strongly depended on laser treatment conditions. In the case of lower cooling rate, lower hardness was observed due to more coarse-grained microstructure and a presence of pearlite. The hardness of the alloyed zone increased (from 850 to 950HV0.1) together with the increasing cooling rate (from 2 · 103 to nearly 9 · 103 °C/s). Laser treatment enabled a formation of surface layers on nodular iron, alloyed with cobalt. The microstructure of such a surface layer could be controlled by the laser processing parameters. High hardness and fine microstructure of the laser-alloyed nodular iron with cobalt should result in higher resistance to wear, corrosion and even (due to effect of cobalt addition) elevated temperatures during operation conditions of machine parts.
Results from Assimilating AMSR-E Soil Moisture Estimates into a Land Surface Model Using an Ensemble Kalman Filter in the Land Information System

NASA Technical Reports Server (NTRS)

Blankenship, Clay B.; Crosson, William L.; Case, Jonathan L.; Hale, Robert

2010-01-01

Improve simulations of soil moisture/temperature, and consequently boundary layer states and processes, by assimilating AMSR-E soil moisture estimates into a coupled land surface-mesoscale model Provide a new land surface model as an option in the Land Information System (LIS)
Large area ultraviolet photodetector on surface modified Si:GaN layers

NASA Astrophysics Data System (ADS)

Anitha, R.; R., Ramesh; Loganathan, R.; Vavilapalli, Durga Sankar; Baskar, K.; Singh, Shubra

2018-03-01

Unique features of semiconductor based heterostructured photoelectric devices have drawn considerable attention in the recent past. In the present work, large area UV photodetector has been fabricated utilizing interesting Zinc oxide microstructures on etched Si:GaN layers. The surface of Si:GaN layer grown by metal organic chemical vapor deposition method on sapphire has been modified by chemical etching to control the microstructure. The photodetector exhibits response to Ultraviolet light only. Optimum etching of Si:GaN was required to exhibit higher responsivity (0.96 A/W) and detectivity (∼4.87 × 109 Jones), the two important parameters for a photodetector. Present method offers a tunable functionality of photodetector through modification of top layer microstructure. A comparison with state of art materials has also been presented.
Constitutive law for the densification of fused silica with applications in polishing and microgrinding

NASA Astrophysics Data System (ADS)

Lambropoulos, John C.; Fang, Tong; Xu, Su; Gracewski, Sheryl M.

1995-09-01

We discuss a constitutive model describing the permanent densification of fused silica under large applied pressures and shear stresses. The constitutive law is assumed to be rate- independent, and uses a yield function coupling hydrostatic pressure and shear stress, a flow rule describing the evolution of permanent strains after initial densification, and a hardening rule describing the dependence of the incremental densification on the levels of applied stresses. The constitutive law accounts for multiaxial states of stress, since during polishing and grinding operations complex stress states occur in a thin surface layer due to the action of abrasive particles. Due to frictional and other abrasive forces, large shear stresses are present near the surface during manufacturing. We apply the constitutive law in estimating the extent of the densified layer during the mechanical interaction of an abrasive grain and a flat surface.
Structural signal of a dynamic glass transition

NASA Astrophysics Data System (ADS)

Chattopadhyay, Sudeshna; Uysal, Ahmet; Stripe, Benjamin; Evmenenko, Guennadi; Dutta, Pulak; Ehrlich, Steven; Karapetrova, Evguenia A.

2010-03-01

Conventional wisdom states that there is no significant difference between the static structures of the glass and liquid states of a given material. Using x-ray reflectivity, we have studied pentaphenyl trimethyl trisiloxane, an isotropic liquid at room temperature with a dynamic glass transition at 224K. Surface density oscillations (surface layers) develop below 285K, similar to those seen in other metallic and dielectric liquids and in computer simulations [1]. Upon cooling further, there is a sharp increase in the penetration of the surface layers into the bulk material, i.e. an apparently discontinuous change in the static structure, exactly at the glass transition (224K) [2]. [4pt] [1]. e.g. O. M. Magnussen et al., PRL 74, 4444 (1995); H. Mo et al. PRL 96, 096107 (2006); E. Chac'on et al., PRL 87, 166101 (2001) [0pt] [2] S. Chattopadhyay et al, PRL 103, 175701 (2009)
Imaging and quantitative measurement of corrosion in painted automotive and aircraft structures

NASA Astrophysics Data System (ADS)

Sun, G.; Wang, Xun; Feng, Z. J.; Jin, Huijia; Sui, Hua; Ouyang, Zhong; Han, Xiaoyan; Favro, L. D.; Thomas, R. L.; Bomback, J. L.

2000-05-01

Some of the authors have shown that it is possible to image and make rapid, quantitative measurements of metal thickness loss due to corrosion on the rear surface of a single layer structure, with an accuracy better than one percent. These measurements are complicated by the presence of thick and/or uneven layers of paint on either the front surface, the back surface, or both. We will discuss progress in overcoming these complications. Examples from both automotive and aircraft structures will be presented.—This material is based in part upon work performed at the FAA Center for Aviation Systems Reliability operated at Iowa State University and supported by the Federal Aviation Administration Technical Center, Atlantic City, New Jersey, under Grant number 95-G-025, and is also supported in part by the Institute for Manufacturing Research, Wayne State University, and by Ford Motor Company. Supported by a Grant from Ford Motor Company.
LOTOS: A Proposed Lower Tropospheric Observing System from the Land Surface through the Atmospheric Boundary Layer

NASA Astrophysics Data System (ADS)

Cohn, S. A.; Lee, W. C.; Carbone, R. E.; Oncley, S.; Brown, W. O. J.; Spuler, S.; Horst, T. W.

2015-12-01

Advances in sensor capabilities, but also in electronics, optics, RF communication, and off-the-grid power are enabling new measurement paradigms. NCAR's Earth Observing Laboratory (EOL) is considering new sensors, new deployment modes, and integrated observing strategies to address challenges in understanding within the atmospheric boundary layer and the underlying coupling to the land surface. Our vision is of a network of deployable observing sites, each with a suite of complementary instruments that measure surface-atmosphere exchange, and the state and evolution of the boundary layer. EOL has made good progress on distributed surface energy balance and flux stations, and on boundary layer remote sensing of wind and water vapor, all suitable for deployments of combined instruments and as network of such sites. We will present the status of the CentNet surface network development, the 449-MHz modular wind profiler, and a water vapor and temperature profiling differential absorption lidar (DIAL) under development. We will further present a concept for a test bed to better understand the value of these and other possible instruments in forming an instrument suite flexible for multiple research purposes.
Mitigation of Corrosion on Magnesium Alloy by Predesigned Surface Corrosion

PubMed Central

Zhang, Xuming; Wu, Guosong; Peng, Xiang; Li, Limin; Feng, Hongqing; Gao, Biao; Huo, Kaifu; Chu, Paul K.

2015-01-01

Rapid corrosion of magnesium alloys is undesirable in structural and biomedical applications and a general way to control corrosion is to form a surface barrier layer isolating the bulk materials from the external environment. Herein, based on the insights gained from the anticorrosion behavior of corrosion products, a special way to mitigate aqueous corrosion is described. The concept is based on pre-corrosion by a hydrothermal treatment of Al-enriched Mg alloys in water. A uniform surface composed of an inner compact layer and top Mg-Al layered double hydroxide (LDH) microsheet is produced on a large area using a one-step process and excellent corrosion resistance is achieved in saline solutions. Moreover, inspired by the super-hydrophobic phenomenon in nature such as the lotus leaves effect, the orientation of the top microsheet layer is tailored by adjusting the hydrothermal temperature, time, and pH to produce a water-repellent surface after modification with fluorinated silane. As a result of the trapped air pockets in the microstructure, the super-hydrophobic surface with the Cassie state shows better corrosion resistance in the immersion tests. The results reveal an economical and environmentally friendly means to control and use the pre-corrosion products on magnesium alloys. PMID:26615896
Mitigation of Corrosion on Magnesium Alloy by Predesigned Surface Corrosion.

PubMed

Zhang, Xuming; Wu, Guosong; Peng, Xiang; Li, Limin; Feng, Hongqing; Gao, Biao; Huo, Kaifu; Chu, Paul K

2015-11-30

Rapid corrosion of magnesium alloys is undesirable in structural and biomedical applications and a general way to control corrosion is to form a surface barrier layer isolating the bulk materials from the external environment. Herein, based on the insights gained from the anticorrosion behavior of corrosion products, a special way to mitigate aqueous corrosion is described. The concept is based on pre-corrosion by a hydrothermal treatment of Al-enriched Mg alloys in water. A uniform surface composed of an inner compact layer and top Mg-Al layered double hydroxide (LDH) microsheet is produced on a large area using a one-step process and excellent corrosion resistance is achieved in saline solutions. Moreover, inspired by the super-hydrophobic phenomenon in nature such as the lotus leaves effect, the orientation of the top microsheet layer is tailored by adjusting the hydrothermal temperature, time, and pH to produce a water-repellent surface after modification with fluorinated silane. As a result of the trapped air pockets in the microstructure, the super-hydrophobic surface with the Cassie state shows better corrosion resistance in the immersion tests. The results reveal an economical and environmentally friendly means to control and use the pre-corrosion products on magnesium alloys.
Mitigation of Corrosion on Magnesium Alloy by Predesigned Surface Corrosion

NASA Astrophysics Data System (ADS)

Zhang, Xuming; Wu, Guosong; Peng, Xiang; Li, Limin; Feng, Hongqing; Gao, Biao; Huo, Kaifu; Chu, Paul K.

2015-11-01

Rapid corrosion of magnesium alloys is undesirable in structural and biomedical applications and a general way to control corrosion is to form a surface barrier layer isolating the bulk materials from the external environment. Herein, based on the insights gained from the anticorrosion behavior of corrosion products, a special way to mitigate aqueous corrosion is described. The concept is based on pre-corrosion by a hydrothermal treatment of Al-enriched Mg alloys in water. A uniform surface composed of an inner compact layer and top Mg-Al layered double hydroxide (LDH) microsheet is produced on a large area using a one-step process and excellent corrosion resistance is achieved in saline solutions. Moreover, inspired by the super-hydrophobic phenomenon in nature such as the lotus leaves effect, the orientation of the top microsheet layer is tailored by adjusting the hydrothermal temperature, time, and pH to produce a water-repellent surface after modification with fluorinated silane. As a result of the trapped air pockets in the microstructure, the super-hydrophobic surface with the Cassie state shows better corrosion resistance in the immersion tests. The results reveal an economical and environmentally friendly means to control and use the pre-corrosion products on magnesium alloys.
Oil Contact Angles in a Water-Decane-Silicon Dioxide System: Effects of Surface Charge

NASA Astrophysics Data System (ADS)

Xu, Shijing; Wang, Jingyao; Wu, Jiazhong; Liu, Qingjie; Sun, Chengzhen; Bai, Bofeng

2018-04-01

Oil wettability in the water-oil-rock systems is very sensitive to the evolution of surface charges on the rock surfaces induced by the adsorption of ions and other chemical agents in water flooding. Through a set of large-scale molecular dynamics simulations, we reveal the effects of surface charge on the oil contact angles in an ideal water-decane-silicon dioxide system. The results show that the contact angles of oil nano-droplets have a great dependence on the surface charges. As the surface charge density exceeds a critical value of 0.992 e/nm2, the contact angle reaches up to 78.8° and the water-wet state is very apparent. The variation of contact angles can be confirmed from the number density distributions of oil molecules. With increasing the surface charge density, the adsorption of oil molecules weakens and the contact areas between nano-droplets and silicon dioxide surface are reduced. In addition, the number density distributions, RDF distributions, and molecular orientations indicate that the oil molecules are adsorbed on the silicon dioxide surface layer-by-layer with an orientation parallel to the surface. However, the layered structure of oil molecules near the silicon dioxide surface becomes more and more obscure at higher surface charge densities.
Oil Contact Angles in a Water-Decane-Silicon Dioxide System: Effects of Surface Charge.

PubMed

Xu, Shijing; Wang, Jingyao; Wu, Jiazhong; Liu, Qingjie; Sun, Chengzhen; Bai, Bofeng

2018-04-19

Oil wettability in the water-oil-rock systems is very sensitive to the evolution of surface charges on the rock surfaces induced by the adsorption of ions and other chemical agents in water flooding. Through a set of large-scale molecular dynamics simulations, we reveal the effects of surface charge on the oil contact angles in an ideal water-decane-silicon dioxide system. The results show that the contact angles of oil nano-droplets have a great dependence on the surface charges. As the surface charge density exceeds a critical value of 0.992 e/nm 2 , the contact angle reaches up to 78.8° and the water-wet state is very apparent. The variation of contact angles can be confirmed from the number density distributions of oil molecules. With increasing the surface charge density, the adsorption of oil molecules weakens and the contact areas between nano-droplets and silicon dioxide surface are reduced. In addition, the number density distributions, RDF distributions, and molecular orientations indicate that the oil molecules are adsorbed on the silicon dioxide surface layer-by-layer with an orientation parallel to the surface. However, the layered structure of oil molecules near the silicon dioxide surface becomes more and more obscure at higher surface charge densities.
Deformation characteristics of the near-surface layers of zirconia ceramics implanted with aluminum ions

NASA Astrophysics Data System (ADS)

Ghyngazov, S. A.; Vasiliev, I. P.; Frangulyan, T. S.; Chernyavski, A. V.

2015-10-01

The effect of ion treatment on the phase composition and mechanical properties of the near-surface layers of zirconium ceramic composition 97 ZrO2-3Y2O3 (mol%) was studied. Irradiation of the samples was carried out by accelerated ions of aluminum with using vacuum-arc source Mevva 5-Ru. Ion beam had the following parameters: the energy of the accelerated ions E = 78 keV, the pulse current density Ji = 4mA / cm2, current pulse duration equal τ = 250 mcs, pulse repetition frequency f = 5 Hz. Exposure doses (fluence) were 1016 и 1017 ion/cm2. The depth distribution implanted ions was studied by SIMS method. It is shown that the maximum projected range of the implanted ions is equal to 250 nm. Near-surface layers were investigated by X-ray diffraction (XRD) at fixed glancing incidence angle. It is shown that implantation of aluminum ions into the ceramics does not lead to a change in the phase composition of the near-surface layer. The influence of implanted ions on mechanical properties of ceramic near-surface layers was studied by the method of dynamic nanoindentation using small loads on the indenter P=300 mN. It is shown that in ion- implanted ceramic layer the processes of material recovery in the deformed region in the unloading mode proceeds with higher efficiency as compared with the initial material state. The deformation characteristics of samples before and after ion treatment have been determined from interpretation of the resulting P-h curves within the loading and unloading sections by the technique proposed by Oliver and Pharr. It was found that implantation of aluminum ions in the near-surface layer of zirconia ceramics increases nanohardness and reduces the Young's modulus.
Synthesis of lithium nitride for neutron production target of BNCT by in situ lithium deposition and ion implantation

NASA Astrophysics Data System (ADS)

Ishiyama, S.; Baba, Y.; Fujii, R.; Nakamura, M.; Imahori, Y.

2012-12-01

To achieve high performance of BNCT (Boron Neutron Capture Therapy) device, Li3N/Li/Pd/Cu four layered Li target was designed and the structures of the synthesized four layered target were characterized by X-ray photoelectron spectroscopy. For the purpose of avoiding the radiation blistering and lithium evaporation, in situ vacuum deposition and nitridation techniques were established for in situ production and repairing maintenance of the lithium target. Following conclusions were derived: Uniform lithium layer of a few hundreds nanometer was formed on Pd/Cu multilayer surface by in situ vacuum deposition technique using metallic lithium as a source material. Lithium nitrides were formed by in situ nitridation reaction by the implantation of low-energy nitrogen ions on the deposited lithium layer surface. The chemical states of the nitridated zone were close to the stoichiometric lithium nitride, Li3N. This nitridated zone formed on surface of four layered lithium target is stable for a long time in air condition. The in situ nitridation is effective to protect lithium target from degradation by unfavorable reactions.

Ultrashort laser-matter interaction at moderate intensities: two-temperature relaxation, foaming of stretched melt, and freezing of evolving nanostructures

NASA Astrophysics Data System (ADS)

Inogamov, Nail A.; Zhakhovsky, Vasily V.; Petrov, Yurii V.; Khokhlov, Viktor A.; Ashitkov, Sergey I.; Migdal, Kirill P.; Ilnitsky, Denis K.; Emirov, Yusuf N.; Khishchenko, Konstantin V.; Komarov, Pavel S.; Shepelev, Vadim V.; Agranat, Mikhail B.; Anisimov, Sergey I.; Oleynik, Ivan I.; Fortov, Vladimir E.

2013-11-01

Interaction of ultrashort laser pulse with metals is considered. Ultrafast heating in our range of absorbed fluences Fabs > 10 mJjcm2 transfers matter into two-temperature (2T) state and induces expressed thermomechani cal response. To analyze our case, where 2T, thermomechanical, and multidimensional (formation of surface structures) effects are significant, we use density functional theory (DFT), solutions of kinetic equations in τ- approximation, 2T-hydrodynamics, and molecular dynamics simulations. We have studied transition from light absorption in a skin layer to 2T state, and from 2T stage to hydrodynamical motions. We describe (i) formation of very peculiar (superelasticity) acoustic wave irradiated from the laser heated surface layer and (ii) rich com plex of surface phenomena including fast melting, nucleation of seed bubbles in hydrodynamically stretched fluid, evolution of vapor-liquid mixture into very spatially extended foam, mechanical breaking of liquid membranes in foam (foam disintegration), strong surface tension oscillations driven by breaking of membranes, non-equilibrium freezing of overcooled molten metals, transition to nano-domain solid, and formation of surface nanostructures.
Response of water temperature to surface wave effects in the Baltic Sea: simulations with the coupled NEMO-WAM model

NASA Astrophysics Data System (ADS)

Alari, Victor; Staneva, Joanna; Breivik, Øyvind; Bidlot, Jean-Raymond; Mogensen, Kristian; Janssen, Peter

2016-04-01

The effects of wind waves on the Baltic Sea water temperature has been studied by coupling the hydrodynamical model NEMO with the wave model WAM. The wave forcing terms that have been taken into consideration are: Stokes-Coriolis force, seastate dependent energy flux and sea-state dependent momentum flux. The combined role of these processes as well as their individual contributions on simulated temperature is analysed. The results indicate a pronounced effect of waves on surface temperature, on the distribution of vertical temperature and on upwellinǵs. In northern parts of the Baltic Sea a warming of the surface layer occurs in the wave included simulations. This in turn reduces the cold bias between simulated and measured data. The warming is primarily caused by sea-state dependent energy flux. Wave induced cooling is mostly observed in near coastal areas and is mainly due to Stokes-Coriolis forcing. The latter triggers effect of intensifying upwellings near the coasts, depending on the direction of the wind. The effect of sea-state dependent momentum flux is predominantly to warm the surface layer. During the summer the wave induced water temperature changes were up to 1 °C.
The role of charge transfer in the oxidation state change of Ce atoms in the TM13-CeO2(111) systems (TM = Pd, Ag, Pt, Au): a DFT + U investigation.

PubMed

Tereshchuk, Polina; Freire, Rafael L H; Ungureanu, Crina G; Seminovski, Yohanna; Kiejna, Adam; Da Silva, Juarez L F

2015-05-28

Despite extensive studies of transition metal (TM) clusters supported on ceria (CeO2), fundamental issues such as the role of the TM atoms in the change in the oxidation state of Ce atoms are still not well understood. In this work, we report a theoretical investigation based on static and ab initio molecular dynamics density functional theory calculations of the interaction of 13-atom TM clusters (TM = Pd, Ag, Pt, Au) with the unreduced CeO2(111) surface represented by a large surface unit cell and employing Hubbard corrections for the strong on-site Coulomb correlation in the Ce f-electrons. We found that the TM13 clusters form pyramidal-like structures on CeO2(111) in the lowest energy configurations with the following stacking sequence, TM/TM4/TM8/CeO2(111), while TM13 adopts two-dimensional structures at high energy structures. TM13 induces a change in the oxidation state of few Ce atoms (3 of 16) located in the topmost Ce layer from Ce(IV) (itinerant Ce f-states) to Ce(III) (localized Ce f-states). There is a charge flow from the TM atoms to the CeO2(111) surface, which can be explained by the electronegativity difference between the TM (Pd, Ag, Pt, Au) and O atoms, however, the charge is not uniformly distributed on the topmost O layer due to the pressure induced by the TM13 clusters on the underlying O ions, which yields a decrease in the ionic charge of the O ions located below the cluster and an increase in the remaining O ions. Due to the charge flow mainly from the TM8-layer to the topmost O-layer, the charge cannot flow from the Ce(IV) atoms to the O atoms with the same magnitude as in the clean CeO2(111) surface. Consequently, the effective cationic charge decreases mainly for the Ce atoms that have a bond with the O atoms not located below the cluster, and hence, those Ce atoms change their oxidation state from IV to III. This increases the size of the Ce(III) compared with the Ce(IV) cations, which builds-in a strain within the topmost Ce layer, and hence, also affecting the location of the Ce(III) cations and the structure of the TM13 clusters.
Sustained drag reduction in a turbulent flow using a low-temperature Leidenfrost surface

PubMed Central

Saranadhi, Dhananjai; Chen, Dayong; Kleingartner, Justin A.; Srinivasan, Siddarth; Cohen, Robert E.; McKinley, Gareth H.

2016-01-01

Skin friction drag contributes a major portion of the total drag for small and large water vehicles at high Reynolds number (Re). One emerging approach to reducing drag is to use superhydrophobic surfaces to promote slip boundary conditions. However, the air layer or “plastron” trapped on submerged superhydrophobic surfaces often diminishes quickly under hydrostatic pressure and/or turbulent pressure fluctuations. We use active heating on a superhydrophobic surface to establish a stable vapor layer or “Leidenfrost” state at a relatively low superheat temperature. The continuous film of water vapor lubricates the interface, and the resulting slip boundary condition leads to skin friction drag reduction on the inner rotor of a custom Taylor-Couette apparatus. We find that skin friction can be reduced by 80 to 90% relative to an unheated superhydrophobic surface for Re in the range 26,100 ≤ Re ≤ 52,000. We derive a boundary layer and slip theory to describe the hydrodynamics in the system and show that the plastron thickness is h = 44 ± 11 μm, in agreement with expectations for a Leidenfrost surface. PMID:27757417
Temperature and doping dependent changes in surface recombination during UV illumination of (Al)GaN bulk layers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Netzel, Carsten; Jeschke, Jörg; Brunner, Frank

2016-09-07

We have studied the effect of continuous illumination with above band gap energy on the emission intensity of polar (Al)GaN bulk layers during the photoluminescence experiments. A temporal change in emission intensity on time scales from seconds to hours is based on the modification of the semiconductor surface states and the surface recombination by the incident light. The temporal behavior of the photoluminescence intensity varies with the parameters such as ambient atmosphere, pretreatment of the surface, doping density, threading dislocation density, excitation power density, and sample temperature. By means of temperature-dependent photoluminescence measurements, we observed that at least two differentmore » processes at the semiconductor surface affect the non-radiative surface recombination during illumination. The first process leads to an irreversible decrease in photoluminescence intensity and is dominant around room temperature, and the second process leads to a delayed increase in intensity and becomes dominant around T = 150–200 K. Both processes become slower when the sample temperature decreases from room temperature. They cease for T < 150 K. Stable photoluminescence intensity at arbitrary sample temperature was obtained by passivating the analyzed layer with an epitaxially grown AlN cap layer.« less
Influence of Idealized Heterogeneity on Wet and Dry Planetary Boundary Layers Coupled to the Land Surface. 2; Phase-Averages

NASA Technical Reports Server (NTRS)

Houser, Paul (Technical Monitor); Patton, Edward G.; Sullivan, Peter P.; Moeng, Chin-Hoh

2003-01-01

We examine the influence of surface heterogeneity on boundary layers using a large-eddy simulation coupled to a land-surface model. Heterogeneity, imposed in strips varying from 2-30 km (1 less than lambda/z(sub i) less than 18), is found to dramatically alter the structure of the free convective boundary layer by inducing significant organized circulations. A conditional sampling technique, based on the scale of the surface heterogeneity (phase averaging), is used to identify and quantify the organized surface fluxes and motions in the atmospheric boundary layer. The impact of the organized motions on turbulent transport depends critically on the scale of the heterogeneity lambda, the boundary layer height zi and the initial moisture state of the boundary layer. Dynamical and scalar fields respond differently as the scale of the heterogeneity varies. Surface heterogeneity of scale 4 less than lamba/z(sub i) less than 9 induces the strongest organized flow fields (up, wp) while heterogeneity with smaller or larger lambda/z(sub i) induces little organized motion. However, the organized components of the scalar fields (virtual potential temperature and mixing ratio) grow continuously in magnitude and horizontal scale, as lambda/z(sub i) increases. For some cases, the organized motions can contribute nearly 100% of the total vertical moisture flux. Patch-induced fluxes are shown to dramatically impact point measurements that assume the time-average vertical velocity to be zero. The magnitude and sign of this impact depends on the location of the measurement within the region of heterogeneity.
Self-organization of palladium nanoislands on GaN and AlxGa1-xN/GaN heterostructures

NASA Astrophysics Data System (ADS)

Stafiniak, Andrzej; Szymański, Tomasz; Paszkiewicz, Regina

2017-12-01

We report on systematic study on the dewetting process of thin Pd layer and self-organized Pd nano-islands on SiO2, GaN and AlxGa1-xN/GaN heterostructures with various Al content. The influence of factors such as the thickness of metal layer, type of top layer of AlGaN/GaN heterostructures, temperature and time of annealing process on the dimensions, shapes and density of Pd islands was analyzed. Comparing the behavior of self-organization of Pd islands on Al0.25Ga0.75N/GaN and SiO2 we can conclude that solid-state dewetting process on SiO2 occures much faster than on Al0.25Ga0.75N. For substrates with SiO2 this process requires less energy and can arise for thicker layer. On the Al0.25Ga0.75N surface the islands take more crystalline shape which is probably due to surface reconstruction of Pd-Ga alloy thin layer on interface. For thin metal layer the coalescence of islands into larger islands similar to Ostwald ripening mechanism was observed. Greater surface roughness of AlxGa1-xN/GaN heterostructures with higher Al content causes an increase of surface density of islands and the reduction of their sizes which improves the roundness. In case of GaN and AlxGa1-xN layers with Al content lower than 20%, the surface degradation caused by annealing process was observed. Probably, this is due to the decomposition of layers with gallium droplet formation on catalytic metal islands.
Improved switching reliability achieved in HfOx based RRAM with mountain-like surface-graphited carbon layer

NASA Astrophysics Data System (ADS)

Tao, Ye; Ding, Wentao; Wang, Zhongqiang; Xu, Haiyang; Zhao, Xiaoning; Li, Xuhong; Liu, Weizhen; Ma, Jiangang; Liu, Yichun

2018-05-01

In this work, we demonstrated an effective method to improve the switching reliability of HfOx based RRAM device by inserting mountain-like surface-graphited carbon (MSGC) layer. The MSGC layer was fabricated through thermal annealing of amorphous carbon (a-C) film with high sp2 proportion (49.7%) under 500 °C on Pt substrate, whose characteristics were validated by XPS and Raman spectrums. The local electric-field (LEF) was enhanced around the nanoscale tips of MSGC layer due to large surface curvature, which leads to simplified CFs and localization of resistive switching region. It takes responsibility to the reduction of high/low resistance states (HRS/LRS) fluctuation from 173.8%/64.9% to 23.6%/6.5%, respectively. In addition, the resulting RRAM devices exhibited fast switching speed (<65 ns), good retention (>104 s at 85 °C) and low cycling degradation. This method could be promising to develop reliable and repeatable high-performance RRAM for practical applications.
Improving Soil Moisture and Temperature Profile and Surface Turbulent Fluxes Estimations in Irrigated Field by Assimilating Multi-source Data into Land Surface Model

NASA Astrophysics Data System (ADS)

Chen, Weijing; Huang, Chunlin; Shen, Huanfeng; Wang, Weizhen

2016-04-01

The optimal estimation of hydrothermal conditions in irrigation field is restricted by the deficiency of accurate irrigation information (when and how much to irrigate). However, the accurate estimation of soil moisture and temperature profile and surface turbulent fluxes are crucial to agriculture and water management in irrigated field. In the framework of land surface model, soil temperature is a function of soil moisture - subsurface moisture influences the heat conductivity at the interface of layers and the heat storage in different layers. In addition, soil temperature determines the phase of soil water content with the transformation between frozen and unfrozen. Furthermore, surface temperature affects the partitioning of incoming radiant energy into ground (sensible and latent heat flux), as a consequence changes the delivery of soil moisture and temperature. Given the internal positive interaction lying in these variables, we attempt to retrieve the accurate estimation of soil moisture and temperature profile via assimilating the observations from the surface under unknown irrigation. To resolve the input uncertainty of imprecise irrigation quantity, original EnKS is implemented with inflation and localization (referred to as ESIL) aiming at solving the underestimation of the background error matrix and the extension of observation information from the top soil to the bottom. EnKS applied in this study includes the states in different time points which tightly connect with adjacent ones. However, this kind of relationship gradually vanishes along with the increase of time interval. Thus, the localization is also employed to readjust temporal scale impact between states and filter out redundant or invalid correlation. Considering the parameter uncertainty which easily causes the systematic deviation of model states, two parallel filters are designed to recursively estimate both states and parameters. The study area consists of irrigated farmland and is located in an artificial oasis in the semi-arid region of northwestern China. Land surface temperature (LST) and soil volumetric water content (SVW) at first layer measured at Daman station are taken as observations in the framework of data assimilation. The study demonstrates the feasibility of ESIL in improving the soil moisture and temperature profile under unknown irrigation. ESIL promotes the coefficient correlation with in-situ measurements for soil moisture and temperature at first layer from 0.3421 and 0.7027 (ensemble simulation) to 0.8767 and 0.8304 meanwhile all the RMSE of soil moisture and temperature in deeper layers dramatically decrease more than 40 percent in different degree. To verify the reliability of ESIL in practical application, thereby promoting the utilization of satellite data, we test ESIL with varying observation internal interval and standard deviation. As a consequence, ESIL shows stabilized and promising effectiveness in soil moisture and soil temperature estimation.
Development of barrier coatings for cellulosic-based materials by cold plasma methods

NASA Astrophysics Data System (ADS)

Denes, Agnes Reka

Cellulose-based materials are ideal candidates for future industries that need to be based on environmentally safe technologies and renewable resources. Wood represents an important raw material and its application as construction material is well established. Cellophane is one of the most important cellulosic material and it is widely used as packaging material in the food industry. Outdoor exposure of wood causes a combination of physical and chemical degradation processes due to the combined effects of sunlight, moisture, fungi, and bacteria. Cold-plasma-induced surface modifications are an attractive way for tailoring the characteristics of lignocellulosic substrates to prevent weathering degradation. Plasma-polymerized hexamethyldisiloxane (PPHMDSO) was deposited onto wood surfaces to create water repellent characteristics. The presence of a crosslinked macromolecular structure was detected. The plasma coated samples exhibited very high water contact angle values indicating the existence of hydrophobic surfaces. Reflective and electromagnetic radiation-absorbent substances were incorporated with a high-molecular-weight polydimethylsiloxane polymer in liquid phase and deposited as thin layers on wood surfaces. The macromolecular films, containing the dispersed materials, were then converted into a three dimensional solid state network by exposure to a oxygen-plasma. It was demonstrated that both UV-absorbent and reflectant components incorporated into the plasma-generated PDMSO matrix protected the wood from weathering degradation. Reduced oxidation and less degradation was observed after simulated weathering. High water contact angle values indicated a strong hydrophobic character of the oxygen plasma-treated PDMSO-coated samples. Plasma-enhanced surface modifications and coatings were employed to create water-vapor barrier layers on cellophane substrate surfaces. HMDSO was selected as a plasma gas and oxygen was used to ablate amorphous regions. Oxygen plasma treated cellophane and oxygen plasma treated and PPHMDSO coated cellophane surfaces were comparatively analyzed and the corresponding surface wettability characteristics were evaluated. The plasma generated surface topographies controlled the morphology of the PPHMDSO layers. Higher temperature HMDSO plasma-state environments lead to insoluble, crosslinked layers. Continuous and pulsed Csb2Fsb6 plasmas were also used for surface modification and excellent surface fluorination was achieved under the pulsed plasma conditions.
Effects of argon sputtering and UV-ozone radiation on the physico-chemical surface properties of ITO

NASA Astrophysics Data System (ADS)

Che, Hui; El Bouanani, M.

2018-01-01

X-ray photoelectron spectroscopy (XPS) and Ultraviolet Photoelectron Spectroscopy (UPS) were used to evaluate and determine the effects of 1 KeV Ar+ irradiation (sputtering) on the surface chemical composition and work function of Indium Thin Oxide (ITO). While Ar+ sputtering removes carbon-based surface contaminants, it also modifies the Sn-rich surface of ITO and leads to a reduction of the oxidation state of Sn from Sn4+ to Sn2+. The decrease in the work function of ITO is directly correlated to the decrease of Sn atomic concentration in the Sn-rich top surface layer and the reduction of the oxidation state of surface Sn.
Spatially resolved surface valence gradient and structural transformation of lithium transition metal oxides in lithium-ion batteries.

PubMed

Liu, Hanshuo; Bugnet, Matthieu; Tessaro, Matteo Z; Harris, Kristopher J; Dunham, Mark J R; Jiang, Meng; Goward, Gillian R; Botton, Gianluigi A

2016-10-26

Layered lithium transition metal oxides are one of the most important types of cathode materials in lithium-ion batteries (LIBs) that possess high capacity and relatively low cost. Nevertheless, these layered cathode materials suffer structural changes during electrochemical cycling that could adversely affect the battery performance. Clear explanations of the cathode degradation process and its initiation, however, are still under debate and not yet fully understood. We herein systematically investigate the chemical evolution and structural transformation of the LiNi x Mn y Co 1-x-y O 2 (NMC) cathode material in order to understand the battery performance deterioration driven by the cathode degradation upon cycling. Using high-resolution electron energy loss spectroscopy (HR-EELS) we clarify the role of transition metals in the charge compensation mechanism, particularly the controversial Ni 2+ (active) and Co 3+ (stable) ions, at different states-of-charge (SOC) under 4.6 V operation voltage. The cathode evolution is studied in detail from the first-charge to long-term cycling using complementary diagnostic tools. With the bulk sensitive 7 Li nuclear magnetic resonance (NMR) measurements, we show that the local ordering of transition metal and Li layers (R3[combining macron]m structure) is well retained in the bulk material upon cycling. In complement to the bulk measurements, we locally probe the valence state distribution of cations and the surface structure of NMC particles using EELS and scanning transmission electron microscopy (STEM). The results reveal that the surface evolution of NMC is initiated in the first-charging step with a surface reduction layer formed at the particle surface. The NMC surface undergoes phase transformation from the layered structure to a poor electronic and ionic conducting transition-metal oxide rock-salt phase (R3[combining macron]m → Fm3[combining macron]m), accompanied by irreversible lithium and oxygen loss. In addition to the electrochemical cycling effect, electrolyte exposure also shows non-negligible influence on cathode surface degradation. These chemical and structural changes of the NMC cathode could contribute to the first-cycle coulombic inefficiency, restrict the charge transfer characteristics and ultimately impact the cell capacity.
Resonant photon tunneling via surface plasmon polaritons through one-dimensional metal-dielectric metamaterials.

PubMed

Tomita, Satoshi; Yokoyama, Takashi; Yanagi, Hisao; Wood, Ben; Pendry, John B; Fujii, Minoru; Hayashi, Shinji

2008-06-23

We report resonant photon tunneling (RPT) through one-dimensional metamaterials consisting of alternating layers of metal and dielectric. RPT via a surface plasmon polariton state permits evanescent light waves with large wavenumbers to be conveyed through the metamaterial. This is the mechanism for sub-wavelength imaging recently demonstrated with a super-lens. Furthermore, we find that the RPT peak is shifted from the reflectance dip with increasing the number of Al layers, indicating that the shift is caused by the losses in the RPT.
DOE Office of Scientific and Technical Information (OSTI.GOV)

He Liang; Xiu Faxian; Huang Guan

In this paper, we report the epitaxial growth of Bi{sub 2}Se{sub 3} thin films on Si (111) substrate, using molecular beam epitaxy (MBE). We show that the as-grown samples have good crystalline quality, and their surfaces exhibit terracelike quintuple layers. Angel-resolved photoemission experiments demonstrate single-Dirac-conelike surface states. These results combined with the temperature- and thickness-dependent magneto-transport measurements, suggest the presence of a shallow impurity band. Below a critical temperature of {approx}100K, the surface states of a 7 nm thick film contribute up to 50% of the total conduction.
Interface Trap Density Reduction for Al2O3/GaN (0001) Interfaces by Oxidizing Surface Preparation prior to Atomic Layer Deposition.

PubMed

Zhernokletov, Dmitry M; Negara, Muhammad A; Long, Rathnait D; Aloni, Shaul; Nordlund, Dennis; McIntyre, Paul C

2015-06-17

We correlate interfacial defect state densities with the chemical composition of the Al2O3/GaN interface in metal-oxide-semiconductor (MOS) structures using synchrotron photoelectron emission spectroscopy (PES), cathodoluminescence and high-temperature capacitance-voltage measurements. The influence of the wet chemical pretreatments involving (1) HCl+HF etching or (2) NH4OH(aq) exposure prior to atomic layer deposition (ALD) of Al2O3 were investigated on n-type GaN (0001) substrates. Prior to ALD, PES analysis of the NH4OH(aq) treated surface shows a greater Ga2O3 component compared to either HCl+HF treated or as-received surfaces. The lowest surface concentration of oxygen species is detected on the acid etched surface, whereas the NH4OH treated sample reveals the lowest carbon surface concentration. Both surface pretreatments improve electrical characteristics of MOS capacitors compared to untreated samples by reducing the Al2O3/GaN interface state density. The lowest interfacial trap density at energies in the upper band gap is detected for samples pretreated with NH4OH. These results are consistent with cathodoluminescence data indicating that the NH4OH treated samples show the strongest band edge emission compared to as-received and acid etched samples. PES results indicate that the combination of reduced carbon contamination while maintaining a Ga2O3 interfacial layer by NH4OH(aq) exposure prior to ALD results in fewer interface traps after Al2O3 deposition on the GaN substrate.
Uncoated microcantilevers as chemical sensors

DOEpatents

Thundat, Thomas G.

2001-01-01

A method and device are provided for chemical sensing using cantilevers that do not use chemically deposited, chemically specific layers. This novel device utilizes the adsorption-induced variation in the surfaces states on a cantilever. The methodology involves exciting charge carriers into or out of the surface states with photons having increasing discrete levels of energy. The excitation energy is provided as discrete levels of photon energy by scanning the wavelength of an exciting source that is illuminating the cantilever surface. When the charge carriers are excited into or out of the surface states, the cantilever bending changes due to changes in surface stress. The amount of cantilever bending with respect to an identical cantilever as a function of excitation energy is used to determine the energy levels associated with adsorbates.
Reducing interface recombination for Cu(In,Ga)Se{sub 2} by atomic layer deposited buffer layers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hultqvist, Adam; Bent, Stacey F.; Li, Jian V.

2015-07-20

Partial CuInGaSe{sub 2} (CIGS) solar cell stacks with different atomic layer deposited buffer layers and pretreatments were analyzed by photoluminescence (PL) and capacitance voltage (CV) measurements to investigate the buffer layer/CIGS interface. Atomic layer deposited ZnS, ZnO, and SnO{sub x} buffer layers were compared with chemical bath deposited CdS buffer layers. Band bending, charge density, and interface state density were extracted from the CV measurement using an analysis technique new to CIGS. The surface recombination velocity calculated from the density of interface traps for a ZnS/CIGS stack shows a remarkably low value of 810 cm/s, approaching the range of single crystallinemore » II–VI systems. Both the PL spectra and its lifetime depend on the buffer layer; thus, these measurements are not only sensitive to the absorber but also to the absorber/buffer layer system. Pretreatment of the CIGS prior to the buffer layer deposition plays a significant role on the electrical properties for the same buffer layer/CIGS stack, further illuminating the importance of good interface formation. Finally, ZnS is found to be the best performing buffer layer in this study, especially if the CIGS surface is pretreated with potassium cyanide.« less
Reducing interface recombination for Cu(In,Ga)Se 2 by atomic layer deposited buffer layers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hultqvist, Adam; Li, Jian V.; Kuciauskas, Darius

2015-07-20

Partial CuInGaSe2 (CIGS) solar cell stacks with different atomic layer deposited buffer layers and pretreatments were analyzed by photoluminescence (PL) and capacitance voltage (CV) measurements to investigate the buffer layer/CIGS interface. Atomic layer deposited ZnS, ZnO, and SnOx buffer layers were compared with chemical bath deposited CdS buffer layers. Band bending, charge density, and interface state density were extracted from the CV measurement using an analysis technique new to CIGS. The surface recombination velocity calculated from the density of interface traps for a ZnS/CIGS stack shows a remarkably low value of 810 cm/s, approaching the range of single crystalline II-VImore » systems. Both the PL spectra and its lifetime depend on the buffer layer; thus, these measurements are not only sensitive to the absorber but also to the absorber/buffer layer system. Pretreatment of the CIGS prior to the buffer layer deposition plays a significant role on the electrical properties for the same buffer layer/CIGS stack, further illuminating the importance of good interface formation. Finally, ZnS is found to be the best performing buffer layer in this study, especially if the CIGS surface is pretreated with potassium cyanide.« less
Reducing interface recombination for Cu(In,Ga)Se 2 by atomic layer deposited buffer layers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hultqvist, Adam; Li, Jian V.; Kuciauskas, Darius

2015-07-20

Partial CuInGaSe2 (CIGS) solar cell stacks with different atomic layer deposited buffer layers and pretreatments were analyzed by photoluminescence (PL) and capacitance voltage (CV) measurements to investigate the buffer layer/CIGS interface. Atomic layer deposited ZnS, ZnO, and SnOx buffer layers were compared with chemical bath deposited CdS buffer layers. Band bending, charge density, and interface state density were extracted from the CV measurement using an analysis technique new to CIGS. The surface recombination velocity calculated from the density of interface traps for a ZnS/CIGS stack shows a remarkably low value of 810 cm/s, approaching the range of single crystalline II–VImore » systems. Both the PL spectra and its lifetime depend on the buffer layer; thus, these measurements are not only sensitive to the absorber but also to the absorber/buffer layer system. Pretreatment of the CIGS prior to the buffer layer deposition plays a significant role on the electrical properties for the same buffer layer/CIGS stack, further illuminating the importance of good interface formation. Finally, ZnS is found to be the best performing buffer layer in this study, especially if the CIGS surface is pretreated with potassium cyanide.« less
Evolving optical second-harmonic anisotropy at the cleaved Bi2Se3 surface

NASA Astrophysics Data System (ADS)

An, Yong; Green, Avery; Diebold, Alain

Bismuth selenide (Bi2Se3) is a centrosymmetric topological insulator with conducting surface states. The surface states have been studied by various electrical and optical techniques in air, but ambience effects and surface aging have not been adequately addressed. Optical second-harmonic generation (SHG) is a suitable probe for the Bi2Se3 surface because SHG arises from symmetry breaking at the surface and thus should detect surface states preferentially over bulk states. However, a strong time dependence of SHG is often observed, hampering the detection and investigation of the surface states. Here we find a new phenomenon in which the major and minor intensity lobes of a measured rotational-anisotropy SHG pattern from a cleaved Bi2Se3 (111) surface can significantly change with time and eventually switch their amplitudes. This switching provides a means for tracking the progress of surface oxidation inside a quintuple layer of Bi2Se3. We also perform pump-probe SHG experiments, comparatively on freshly cleaved and oxidized Bi2Se3 surfaces, to study charge dynamics at the oxide/Bi2Se3 interface and to detect spin polarization of photoexcited surface states in the Bi2Se3 topological insulator. This work was supported by the SRC NRI Institute for Nanoelectronics Discovery and Exploration (INDEX).

Surface modification of steels and magnesium alloy by high current pulsed electron beam

NASA Astrophysics Data System (ADS)

Hao, Shengzhi; Gao, Bo; Wu, Aimin; Zou, Jianxin; Qin, Ying; Dong, Chuang; An, Jian; Guan, Qingfeng

2005-11-01

High current pulsed electron beam (HCPEB) is now developing as a useful tool for surface modification of materials. When concentrated electron flux transferring its energy into a very thin surface layer within a short pulse time, superfast processes such as heating, melting, evaporation and consequent solidification, as well as dynamic stress induced may impart the surface layer with improved physico-chemical and mechanical properties. This paper presents our research work on surface modification of steels and magnesium alloy with HCPEB of working parameters as electron energy 27 keV, pulse duration ∼1 μs and energy density ∼2.2 J/cm2 per pulse. Investigations performed on carbon steel T8, mold steel D2 and magnesium alloy AZ91HP have shown that the most pronounced changes of phase-structure state and properties occurring in the near-surface layers, while the thickness of the modified layer with improved microhardness (several hundreds of micrometers) is significantly greater than that of the heat-affected zone. The formation mechanisms of surface cratering and non-stationary hardening effect in depth are discussed based on the elucidation of non-equilibrium temperature filed and different kinds of stresses formed during pulsed electron beam melting treatment. After the pulsed electron beam treatments, samples show significant improvements in measurements of wear and corrosion resistance.
Water adsorption on TiO2 surfaces probed by soft X-ray spectroscopies: bulk materials vs. isolated nanoparticles

PubMed Central

Benkoula, Safia; Sublemontier, Olivier; Patanen, Minna; Nicolas, Christophe; Sirotti, Fausto; Naitabdi, Ahmed; Gaie-Levrel, François; Antonsson, Egill; Aureau, Damien; Ouf, François-Xavier; Wada, Shin-Ichi; Etcheberry, Arnaud; Ueda, Kiyoshi; Miron, Catalin

2015-01-01

We describe an experimental method to probe the adsorption of water at the surface of isolated, substrate-free TiO2 nanoparticles (NPs) based on soft X-ray spectroscopy in the gas phase using synchrotron radiation. To understand the interfacial properties between water and TiO2 surface, a water shell was adsorbed at the surface of TiO2 NPs. We used two different ways to control the hydration level of the NPs: in the first scheme, initially solvated NPs were dried and in the second one, dry NPs generated thanks to a commercial aerosol generator were exposed to water vapor. XPS was used to identify the signature of the water layer shell on the surface of the free TiO2 NPs and made it possible to follow the evolution of their hydration state. The results obtained allow the establishment of a qualitative determination of isolated NPs’ surface states, as well as to unravel water adsorption mechanisms. This method appears to be a unique approach to investigate the interface between an isolated nano-object and a solvent over-layer, paving the way towards new investigation methods in heterogeneous catalysis on nanomaterials. PMID:26462615
Effect of Ionic Strength and Surface Charge Density on the Kinetics of Cellulose Nanocrystal Thin Film Swelling.

PubMed

Reid, Michael S; Kedzior, Stephanie A; Villalobos, Marco; Cranston, Emily D

2017-08-01

This work explores cellulose nanocrystal (CNC) thin films (<50 nm) and particle-particle interactions by investigating film swelling in aqueous solutions with varying ionic strength (1-100 mM). CNC film hydration was monitored in situ via surface plasmon resonance, and the kinetics of liquid uptake were quantified. The contribution of electrostatic double-layer forces to film swelling was elucidated by using CNCs with different surface charges (anionic sulfate half ester groups, high and low surface charge density, and cationic trimethylammonium groups). Total water uptake in the thin films was found to be independent of ionic strength and surface chemistry, suggesting that in the aggregated state van der Waals forces dominate over double-layer forces to hold the films together. However, the rate of swelling varied significantly. The water uptake followed Fickian behavior, and the measured diffusion constants decreased with the ionic strength gradient between the film and the solution. This work highlights that nanoparticle interactions and dispersion are highly dependent on the state of particle aggregation and that the rate of water uptake in aggregates and thin films can be tailored based on surface chemistry and solution ionic strength.
Nanoscale Trapping and Squeeze-Out of Confined Alkane Monolayers.

PubMed

Gosvami, N N; O'Shea, S J

2015-12-01

We present combined force curve and conduction atomic force microscopy (AFM) data for the linear alkanes CnH2n+2 (n = 10, 12, 14, 16) confined between a gold-coated AFM tip and a graphite surface. Solvation layering is observed in the force curves for all liquids, and conduction AFM is used to study in detail the removal of the confined (mono)layer closest to the graphite surface. The squeeze-out behavior of the monolayer can be very different depending upon the temperature. Below the monolayer melting transition temperatures the molecules are in an ordered state on the graphite surface, and fast and complete removal of the confined molecules is observed. However, above the melting transition temperature the molecules are in a disordered state, and even at large applied pressure a few liquid molecules are trapped within the tip-sample contact zone. These findings are similar to a previous study for branched alkanes [ Gosvami Phys. Rev. Lett. 2008, 100, 076101 ], but the observation for the linear alkane homologue series demonstrates clearly the dependence of the squeeze-out and trapping on the state of the confined material.
The StreamCat Dataset: Accumulated Attributes for NHDPlusV2 Catchments (Version 2.1) for the Conterminous United States: Soil Erodibility (KFFACT)

EPA Pesticide Factsheets

This dataset represents the adjusted soil erodibility factor within individual, local NHDPlusV2 catchments and upstream, contributing watersheds. Attributes of the landscape layer were calculated for every local NHDPlusV2 catchment and accumulated to provide watershed-level metrics. (See Supplementary Info for Glossary of Terms) The STATSGO Layer table specifies two soil erodibility factors for each component layer, KFFACT and KFACT. The STATSGO documentation describes KFFACT as a soil erodibility factor which quanitifies the susceptibility of soil particles to detachment and movement by water. This factor is used in the Universal Soil Loss Equation to caluculate soil loss by water. KFACT is described as a soil erodibility factor which is adjusted for the effect of rock fragments. The average value of each of these soil erodibility factors was determined for the top (surface) layer for each map unit of each state.The base-flow index (BFI) grid for the conterminous United States was developed to estimate (1) BFI values for ungaged streams, and (2) ground-water recharge throughout the conterminous United States (see Data Source). Estimates of BFI values at ungaged streams and BFI-based ground-water recharge estimates are useful for interpreting relations between land use and water quality in surface and ground water. The soil erodibility factor was summarized by local catchment and by watershed to produce local catchment-level and watershed-level metri
Multitechnique characterisation of 304L surface states oxidised at high temperature in steam and air atmospheres

NASA Astrophysics Data System (ADS)

Mamede, Anne-Sophie; Nuns, Nicolas; Cristol, Anne-Lise; Cantrel, Laurent; Souvi, Sidi; Cristol, Sylvain; Paul, Jean-François

2016-04-01

In case of a severe accident occurring in a nuclear reactor, surfaces of the reactor coolant system (RCS), made of stainless steel (304L) rich in Cr (>10%) and Ni (8-12%), are oxidised. Fission products (FPs) are released from melt fuel and flow through the RCS. A part of them is deposited onto surfaces either by vapour condensation or by aerosol deposition mechanisms. To be able to understand the nature of interactions between these FPs and the RCS surfaces, a preliminary step is to characterize the RSC surface states in steam and air atmosphere at high temperatures. Pieces of 304L stainless steel have been treated in a flow reactor at two different temperatures (750 °C and 950 °C) for two different exposition times (24 h and 72 h). After surfaces analysing by a unique combination of surface analysis techniques (XPS, ToF-SIMS and LEIS), for 304L, the results show a deep oxide scale with multi layers and the outer layer is composed of chromium and manganese oxides. Oxide profiles differ in air or steam atmosphere. Fe2O3 oxide is observed but in minor proportion and in all cases no nickel is detected near the surface. Results obtained are discussed and compared with the literature data.
Atomic-scale observation of structural and electronic orders in the layered compound α-RuCl3

NASA Astrophysics Data System (ADS)

Ziatdinov, M.; Banerjee, A.; Maksov, A.; Berlijn, T.; Zhou, W.; Cao, H. B.; Yan, J.-Q.; Bridges, C. A.; Mandrus, D. G.; Nagler, S. E.; Baddorf, A. P.; Kalinin, S. V.

2016-12-01

A pseudospin-1/2 Mott phase on a honeycomb lattice is proposed to host the celebrated two-dimensional Kitaev model which has an elusive quantum spin liquid ground state, and fascinating physics relevant to the development of future templates towards topological quantum bits. Here we report a comprehensive, atomically resolved real-space study by scanning transmission electron and scanning tunnelling microscopies on a novel layered material displaying Kitaev physics, α-RuCl3. Our local crystallography analysis reveals considerable variations in the geometry of the ligand sublattice in thin films of α-RuCl3 that opens a way to realization of a spatially inhomogeneous magnetic ground state at the nanometre length scale. Using scanning tunnelling techniques, we observe the electronic energy gap of ~0.25 eV and intra-unit cell symmetry breaking of charge distribution in individual α-RuCl3 surface layer. The corresponding charge-ordered pattern has a fine structure associated with two different types of charge disproportionation at Cl-terminated surface.
Rational Design of Multilayer Collagen Nanosheets with Compositional and Structural Control.

PubMed

Jiang, Tao; Vail, Owen A; Jiang, Zhigang; Zuo, Xiaobing; Conticello, Vincent P

2015-06-24

Two collagen-mimetic peptides, CP(+) and CP(-), are reported in which the sequences comprise a multiblock architecture having positively charged N-terminal (Pro-Arg-Gly)3 and negatively charged C-terminal (Glu-Hyp-Gly)3 triad extensions, respectively. CP(+) rapidly self-associates into positively charged nanosheets based on a monolayer structure. In contrast, CP(-) self-assembles to form negatively charged monolayer nanosheets at a much slower rate, which can be accelerated in the presence of calcium(II) ion. A 2:1 mixture of unassociated CP(-) peptide with preformed CP(+) nanosheets generates structurally defined triple-layer nanosheets in which two CP(-) monolayers have formed on the identical surfaces of the CP(+) nanosheet template. Experimental data from electrostatic force microscopy (EFM) image analysis, zeta potential measurements, and charged nanoparticle binding assays support a negative surface charge state for the triple-layer nanosheets, which is the reverse of the positive surface charge state observed for the CP(+) monolayer nanosheets. The electrostatic complementarity between the CP(+) and CP(-) triple helical cohesive ends at the layer interfaces promotes a (CP(-)/CP(+)/CP(-)) compositional gradient along the z-direction of the nanosheet. This structurally informed approach represents an attractive strategy for the fabrication of two-dimensional nanostructures with compositional control.
Energy sources for triton's geyser-like plumes

USGS Publications Warehouse

Brown, R.H.; Kirk, R.L.; Johnson, T.V.; Soderblom, L.A.

1990-01-01

Four geyser-like plumes were discovered near Triton's south pole in areas now in permanent sunlight. Because Triton's southern hemisphere is nearing a maximum summer solstice, insolation as a driver or a trigger for Triton's geyser-like plumes is an attractive hypothesis. Trapping of solar radiation in a translucent, low-conductivity surface layer (in a solid-state greenhouse), which is subsequently released in the form of latent heat of sublimation, could provide the required energy. Both the classical solid-state greenhouse consisting of exponentially absorbed insolation in a gray, translucent layer of solid nitrogen, and the "super" greenhouse consisting of a relatively transparent solid-nitrogen layer over an opaque, absorbing layer are plausible candidates. Geothermal heat may also play a part if assisted by the added energy input of seasonal cycles of insolation.
Low temperature thermal ALD of a SiNx interfacial diffusion barrier and interface passivation layer on SixGe1- x(001) and SixGe1- x(110)

NASA Astrophysics Data System (ADS)

Edmonds, Mary; Sardashti, Kasra; Wolf, Steven; Chagarov, Evgueni; Clemons, Max; Kent, Tyler; Park, Jun Hong; Tang, Kechao; McIntyre, Paul C.; Yoshida, Naomi; Dong, Lin; Holmes, Russell; Alvarez, Daniel; Kummel, Andrew C.

2017-02-01

Atomic layer deposition of a silicon rich SiNx layer on Si0.7Ge0.3(001), Si0.5Ge0.5(001), and Si0.5Ge0.5(110) surfaces has been achieved by sequential pulsing of Si2Cl6 and N2H4 precursors at a substrate temperature of 285 °C. XPS spectra show a higher binding energy shoulder peak on Si 2p indicative of SiOxNyClz bonding while Ge 2p and Ge 3d peaks show only a small amount of higher binding energy components consistent with only interfacial bonds, indicating the growth of SiOxNy on the SiGe surface with negligible subsurface reactions. Scanning tunneling spectroscopy measurements confirm that the SiNx interfacial layer forms an electrically passive surface on p-type Si0.70Ge0.30(001), Si0.50Ge0.50(110), and Si0.50Ge0.50(001) substrates as the surface Fermi level is unpinned and the electronic structure is free of states in the band gap. DFT calculations show that a Si rich a-SiO0.4N0,4 interlayer can produce lower interfacial defect density than stoichiometric a-SiO0.8N0.8, substoichiometric a-Si3N2, or stoichiometric a-Si3N4 interlayers by minimizing strain and bond breaking in the SiGe by the interlayer. Metal-oxide-semiconductor capacitors devices were fabricated on p-type Si0.7Ge0.3(001) and Si0.5Ge0.5(001) substrates with and without the insertion of an ALD SiOxNy interfacial layer, and the SiOxNy layer resulted in a decrease in interface state density near midgap with a comparable Cmax value.
Quantification of Impervious Surfaces Along the Wasatch Front, Utah: AN Object-Based Image Analysis Approach to Identifying AN Indicator for Wetland Stress

NASA Astrophysics Data System (ADS)

Leydsman-McGinty, E. I.; Ramsey, R. D.; McGinty, C.

2013-12-01

The Remote Sensing/GIS Laboratory at Utah State University, in cooperation with the United States Environmental Protection Agency, is quantifying impervious surfaces for three watershed sub-basins in Utah. The primary objective of developing watershed-scale quantifications of impervious surfaces is to provide an indicator of potential impacts to wetlands that occur within the Wasatch Front and along the Great Salt Lake. A geospatial layer of impervious surfaces can assist state agencies involved with Utah's Wetlands Program Plan (WPP) in understanding the impacts of impervious surfaces on wetlands, as well as support them in carrying out goals and actions identified in the WPP. The three watershed sub-basins, Lower Bear-Malad, Lower Weber, and Jordan, span the highly urbanized Wasatch Front and are consistent with focal areas in need of wetland monitoring and assessment as identified in Utah's WPP. Geospatial layers of impervious surface currently exist in the form of national and regional land cover datasets; however, these datasets are too coarse to be utilized in fine-scale analyses. In addition, the pixel-based image processing techniques used to develop these coarse datasets have proven insufficient in smaller scale or detailed studies, particularly when applied to high-resolution satellite imagery or aerial photography. Therefore, object-based image analysis techniques are being implemented to develop the geospatial layer of impervious surfaces. Object-based image analysis techniques employ a combination of both geospatial and image processing methods to extract meaningful information from high-resolution imagery. Spectral, spatial, textural, and contextual information is used to group pixels into image objects and then subsequently used to develop rule sets for image classification. eCognition, an object-based image analysis software program, is being utilized in conjunction with one-meter resolution National Agriculture Imagery Program (NAIP) aerial photography from 2011.
Investigation of the surface composition of electrodeposited black chromium by X-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Survilienė, S.; Češūnienė, A.; Jasulaitienė, V.; Jurevičiūtė, I.

2015-01-01

The paper reviews black chromium electrodeposited from a trivalent chromium bath containing ZnO as a second main component. The chemical compositions of the top layers of the black chromium coatings were studied by the X-ray photoelectron spectroscopy method. The surface of black chromium was found to be almost entirely covered with organic substances. To gain information on the state of each element in the deposit bulk, the layer-by-layer etching of the black chromium surface with argon gas was used. Analysis of XPS spectra has shown that the top layers of black chromium without zinc are composed of various Cr(III) components, organic substances and metallic Cr, whereas metallic Cr is almost absent in black chromium containing some amount of Zn(II) compounds. The ratios of metal/oxide phases were found to be 10/27 and 2/28 for black chromium without and with zinc, respectively. It has been determined that owing to the presence of ZnO in the Cr(III) bath, the percentage of metallic chromium is substantially reduced in black chromium which is quite important for good solar selective characteristics of the coating. The results confirm some of earlier observations and provide new information on the composition of the near-surface layers.
Convection in a volatile nitrogen-ice-rich layer drives Pluto's geological vigour

NASA Astrophysics Data System (ADS)

McKinnon, William B.; Nimmo, Francis; Wong, Teresa; Schenk, Paul M.; White, Oliver L.; Roberts, J. H.; Moore, J. M.; Spencer, J. R.; Howard, A. D.; Umurhan, O. M.; Stern, S. A.; Weaver, H. A.; Olkin, C. B.; Young, L. A.; Smith, K. E.; Moore, J. M.; McKinnon, W. B.; Spencer, J. R.; Beyer, R.; Buie, M.; Buratti, B.; Cheng, A.; Cruikshank, D.; Dalle Ore, C.; Gladstone, R.; Grundy, W.; Howard, A.; Lauer, T.; Linscott, I.; Nimmo, F.; Olkin, C.; Parker, J.; Porter, S.; Reitsema, H.; Reuter, D.; Roberts, J. H.; Robbins, S.; Schenk, P. M.; Showalter, M.; Singer, K.; Strobel, D.; Summers, M.; Tyler, L.; Weaver, H.; White, O. L.; Umurhan, O. M.; Banks, M.; Barnouin, O.; Bray, V.; Carcich, B.; Chaikin, A.; Chavez, C.; Conrad, C.; Hamilton, D.; Howett, C.; Hofgartner, J.; Kammer, J.; Lisse, C.; Marcotte, A.; Parker, A.; Retherford, K.; Saina, M.; Runyon, K.; Schindhelm, E.; Stansberry, J.; Steffl, A.; Stryk, T.; Throop, H.; Tsang, C.; Verbiscer, A.; Winters, H.; Zangari, A.; New Horizons Geology, Geophysics and Imaging Theme Team

2016-06-01

The vast, deep, volatile-ice-filled basin informally named Sputnik Planum is central to Pluto's vigorous geological activity. Composed of molecular nitrogen, methane, and carbon monoxide ices, but dominated by nitrogen ice, this layer is organized into cells or polygons, typically about 10 to 40 kilometres across, that resemble the surface manifestation of solid-state convection. Here we report, on the basis of available rheological measurements, that solid layers of nitrogen ice with a thickness in excess of about one kilometre should undergo convection for estimated present-day heat-flow conditions on Pluto. More importantly, we show numerically that convective overturn in a several-kilometre-thick layer of solid nitrogen can explain the great lateral width of the cells. The temperature dependence of nitrogen-ice viscosity implies that the ice layer convects in the so-called sluggish lid regime, a unique convective mode not previously definitively observed in the Solar System. Average surface horizontal velocities of a few centimetres a year imply surface transport or renewal times of about 500,000 years, well under the ten-million-year upper-limit crater retention age for Sputnik Planum. Similar convective surface renewal may also occur on other dwarf planets in the Kuiper belt, which may help to explain the high albedos shown by some of these bodies.
Convection in a volatile nitrogen-ice-rich layer drives Pluto's geological vigour.

PubMed

McKinnon, William B; Nimmo, Francis; Wong, Teresa; Schenk, Paul M; White, Oliver L; Roberts, J H; Moore, J M; Spencer, J R; Howard, A D; Umurhan, O M; Stern, S A; Weaver, H A; Olkin, C B; Young, L A; Smith, K E

2016-06-02

The vast, deep, volatile-ice-filled basin informally named Sputnik Planum is central to Pluto's vigorous geological activity. Composed of molecular nitrogen, methane, and carbon monoxide ices, but dominated by nitrogen ice, this layer is organized into cells or polygons, typically about 10 to 40 kilometres across, that resemble the surface manifestation of solid-state convection. Here we report, on the basis of available rheological measurements, that solid layers of nitrogen ice with a thickness in excess of about one kilometre should undergo convection for estimated present-day heat-flow conditions on Pluto. More importantly, we show numerically that convective overturn in a several-kilometre-thick layer of solid nitrogen can explain the great lateral width of the cells. The temperature dependence of nitrogen-ice viscosity implies that the ice layer convects in the so-called sluggish lid regime, a unique convective mode not previously definitively observed in the Solar System. Average surface horizontal velocities of a few centimetres a year imply surface transport or renewal times of about 500,000 years, well under the ten-million-year upper-limit crater retention age for Sputnik Planum. Similar convective surface renewal may also occur on other dwarf planets in the Kuiper belt, which may help to explain the high albedos shown by some of these bodies.
Delocalized Surface State in Epitaxial Si(111) Film with Spontaneous √3 × √3 Superstructure

PubMed Central

Chen, Jian; Du, Yi; Li, Zhi; Li, Wenbin; Feng, Baojie; Qiu, Jinlan; Cheng, Peng; Xue Dou, Shi; Chen, Lan; Wu, Kehui

2015-01-01

The “multilayer silicene” films were grown on Ag(111), with increasing thickness above 30 monolayers (ML). Scanning tunneling microscopy (STM) observations suggest that the “multilayer silicene” is indeed a bulk-like Si(111) film with a (√3 × √3)R30° honeycomb superstructure on surface. The possibility for formation of Si(111)(√3 × √3)R30°-Ag reconstruction on the surface can be distinctively ruled out by peeling off the surface layer with the STM tip. On this surface, delocalized surface state as well as linear energy-momentum dispersion was observed from quasiparticle interference patterns. Our results indicate that a bulklike silicon film with diamondlike structure can also host delocalized surface state, which is even more attractive for potential applications, such as new generation of nanodevices based on Si. PMID:26316281
DOE Office of Scientific and Technical Information (OSTI.GOV)

Jana, Dipankar, E-mail: dip2602@gmail.com; Porwal, S.; Sharma, T. K., E-mail: tarun@rrcat.gov.in

Pump-probe Surface Photovoltage Spectroscopy (SPS) measurements are performed on semiconductor epitaxial layers. Here, an additional sub-bandgap cw pump laser beam is used in a conventional chopped light geometry SPS setup under the pump-probe configuration. The main role of pump laser beam is to saturate the sub-bandgap localized states whose contribution otherwise swamp the information related to the bandgap of material. It also affects the magnitude of Dember voltage in case of semi-insulating (SI) semiconductor substrates. Pump-probe SPS technique enables an accurate determination of the bandgap of semiconductor epitaxial layers even under the strong influence of localized sub-bandgap states. The pumpmore » beam is found to be very effective in suppressing the effect of surface/interface and bulk trap states. The overall magnitude of SPV signal is decided by the dependence of charge separation mechanisms on the intensity of the pump beam. On the contrary, an above bandgap cw pump laser can be used to distinguish the signatures of sub-bandgap states by suppressing the band edge related feature. Usefulness of the pump-probe SPS technique is established by unambiguously determining the bandgap of p-GaAs epitaxial layers grown on SI-GaAs substrates, SI-InP wafers, and p-GaN epilayers grown on Sapphire substrates.« less
P-polarized reflectance spectroscopy: A high sensitive real-time monitoring technique to study surface kinetics under steady state epitaxial deposition conditions

NASA Technical Reports Server (NTRS)

Dietz, Nikolaus; Bachmann, Klaus J.

1995-01-01

This paper describes the results of real-time optical monitoring of epitaxial growth processes by p-polarized reflectance spectroscopy (PRS) using a single wavelength application under pulsed chemical beam epitaxy (PCBE) condition. The high surface sensitivity of PRS allows the monitoring of submonolayer precursors coverage on the surface as shown for GaP homoepitaxy and GaP on Si heteroepitaxy as examples. In the case of heteroepitaxy, the growth rate and optical properties are revealed by PRS using interference oscillations as they occur during growth. Super-imposed on these interference oscillations, the PRS signal exhibits a fine structure caused by the periodic alteration of the surface chemistry by the pulsed supply of chemical precursors. This fine structure is modeled under conditions where the surface chemistry cycles between phosphorus supersaturated and phosphorus depleted surfaces. The mathematical model describes the fine structure using a surface layer that increases during the tertiarybutyl phosphine (TBP) supply and decreases during and after the triethylgallium (TEG) pulse, which increases the growing GaP film thickness. The imaginary part of the dielectric function of the surface layer is revealed from the turning points in the fine structure, where the optical response to the first precursor pulse in the cycle sequence changes sign. The amplitude of the fine structure is determined by the surface layer thickness and the complex dielectric functions for the surface layer with the underlying bulk film. Surface kinetic data can be obtained by analyzing the rise and decay transients of the fine structure.
A more accurate scheme for calculating Earth's skin temperature

NASA Astrophysics Data System (ADS)

Tsuang, Ben-Jei; Tu, Chia-Ying; Tsai, Jeng-Lin; Dracup, John A.; Arpe, Klaus; Meyers, Tilden

2009-02-01

The theoretical framework of the vertical discretization of a ground column for calculating Earth’s skin temperature is presented. The suggested discretization is derived from the evenly heat-content discretization with the optimal effective thickness for layer-temperature simulation. For the same level number, the suggested discretization is more accurate in skin temperature as well as surface ground heat flux simulations than those used in some state-of-the-art models. A proposed scheme (“op(3,2,0)”) can reduce the normalized root-mean-square error (or RMSE/STD ratio) of the calculated surface ground heat flux of a cropland site significantly to 2% (or 0.9 W m-2), from 11% (or 5 W m-2) by a 5-layer scheme used in ECMWF, from 19% (or 8 W m-2) by a 5-layer scheme used in ECHAM, and from 74% (or 32 W m-2) by a single-layer scheme used in the UCLA GCM. Better accuracy can be achieved by including more layers to the vertical discretization. Similar improvements are expected for other locations with different land types since the numerical error is inherited into the models for all the land types. The proposed scheme can be easily implemented into state-of-the-art climate models for the temperature simulation of snow, ice and soil.
Characterizing the recovery of a solid surface after tungsten nano-tendril formation

NASA Astrophysics Data System (ADS)

Wright, G. M.; van Eden, G. G.; Kesler, L. A.; De Temmerman, G.; Whyte, D. G.; Woller, K. B.

2015-08-01

Recovery of a flat tungsten surface from a nano-tendril surface is attempted through three techniques; a mechanical wipe, a 1673 K annealing, and laser-induced thermal transients. Results were determined through SEM imaging and elastic recoil detection to assess the helium content in the surface. The mechanical wipe leaves a ∼0.5 μm deep layer of nano-tendrils on the surface post-wipe regardless of the initial nano-tendril layer depth. Laser-induced thermal transients only significantly impact the surface morphology at heat loads of 35.2 MJ/m2 s1/2 or above, however a fully flat or recovered surface was not achieved for 100 transients at this heat load despite reducing the helium content by a factor of ∼7. A 1673 K annealing removes all detectable levels of helium but sub-surface voids/bubbles remain intact. The surface is recovered to a nearly flat state with only some remnants of nano-tendrils re-integrating into the surface remaining.
Gas diffusion in and out of super-hydrophobic surface in transitional and turbulent boundary layers

NASA Astrophysics Data System (ADS)

Ling, Hangjian; Fu, Matthew; Hultmark, Marcus; Katz, Joseph

2017-11-01

The rate of gas diffusion in and out of a super-hydrophobic surface (SHS) located in boundary layers is investigated at varying Reynolds numbers and ambient pressures. The hierarchical SHS consists of nano-textured, 100 μm wide spanwise grooves. The boundary layers over the SHS under the Cassie-Baxter and Wenzel states as well as a smooth wall at same conditions are characterized by particle image velocimetry. The Reynolds number based on momentum thickness of the smooth wall, ReΘ0, ranges from 518 to 2088, covering transitional and turbulent boundary layer regimes. The mass diffusion rate is estimated by using microscopy to measure the time-evolution of plastron shape and volume. The data is used for calculating the Sherwood number based on smooth wall momentum thickness, ShΘ0. As expected, the diffusion rate increases linearly with the under- or super-saturation level, i.e., ShΘ0 is independent of ambient pressure. For the turbulent boundary layers, the data collapses onto ShΘ0 = 0.47ReΘ00.77 . For the transitional boundary layer, ShΘ0 is lower than the turbulent power law. When ShΘ0 is plotted against the friction Reynolds number (Reτ0) , both the transitional and turbulent boundary layer data collapse onto a single power law, ShΘ0 = 0.34Reτ00.913 . Results scaled based on Wenzel state momentum thickness show very similar trends. Sponsored by ONR.

Navier-Stokes structure of merged layer flow on the spherical nose of a space vehicle

NASA Technical Reports Server (NTRS)

Jain, A. C.; Woods, G. H.

1988-01-01

Hypersonic merged layer flow on the forepart of a spherical surface of a space vehicle has been investigated on the basis of the full steady-state Navier-Stokes equations using slip and temperature jump boundary conditions at the surface and free-stream conditions far from the surface. The shockwave-like structure was determined as part of the computations. Using an equivalent body concept, computations were carried out under conditions that the Aeroassist Flight Experiment (AFE) Vehicle would encounter at 15 and 20 seconds in its flight path. Emphasis was placed on understanding the basic nature of the flow structure under low density conditions. Particular attention was paid to the understanding of the structure of the outer shockwave-like region as the fluid expands around the sphere. Plots were drawn for flow profiles and surface characteristics to understand the role of dissipation processes in the merged layer of the spherical nose of the vehicle.
Response of the Shockley surface state to an external electrical field: A density-functional theory study of Cu(111)

NASA Astrophysics Data System (ADS)

Berland, K.; Einstein, T. L.; Hyldgaard, P.

2012-01-01

The response of the Cu(111) Shockley surface state to an external electrical field is characterized by combining a density-functional theory calculation for a slab geometry with an analysis of the Kohn-Sham wave functions. Our analysis is facilitated by a decoupling of the Kohn-Sham states via a rotation in Hilbert space. We find that the surface state displays isotropic dispersion, quadratic until the Fermi wave vector but with a significant quartic contribution beyond. We calculate the shift in energetic position and effective mass of the surface state for an electrical field perpendicular to the Cu(111) surface; the response is linear over a broad range of field strengths. We find that charge transfer occurs beyond the outermost copper atoms and that accumulation of electrons is responsible for a quarter of the screening of the electrical field. This allows us to provide well converged determinations of the field-induced changes in the surface state for a moderate number of layers in the slab geometry.
THE ROLE OF WATER IN PROTOPLASMIC PERMEABILITY AND IN ANTAGONISM

PubMed Central

Osterhout, W. J. V.

1956-01-01

The behavior of the cell depends to a large extent on the permeability of the outer non-aqueous surface layer of the protoplasm. This layer is immiscible with water but may be quite permeable to it. It seems possible that a reversible increase or decrease in permeability may be due to a corresponding increase or decrease in the water content of the non-aqueous surface layer. Irreversible increase in permeability need not be due primarily to increase in the water content of the surface layer but may be caused chiefly by changes in the protoplasm on which the surface layer rests. It may include desiccation, precipitation, and other alterations. An artificial cell is described in which the outer protoplasmic surface layer is represented by a layer of guaiacol on one side of which is a solution of KOH + KCl representing the external medium and on the other side is a solution of CO2 representing the protoplasm. The K+ unites with guaiacol and diffuses across to the artificial protoplasm where its concentration becomes higher than in the external solution. The guaiacol molecule thus acts as a carrier molecule which transports K+ from the external medium across the protoplasmic surface. The outer part of the protoplasm may contain relatively few potassium ions so that the outwardly directed potential at the outer protoplasmic surface may be small but the inner part of the protoplasm may contain more potassium ions. This may happen when potassium enters in combination with carrier molecules which do not completely dissociate until they reach the vacuole. Injury and recovery from injury may be studied by measuring the movements of water into and out of the cell. Metabolism by producing CO2 and other acids may lower the pH and cause local shrinkage of the protoplasm which may lead to protoplasmic motion. Antagonism between Na+ and Ca++ appears to be due to the fact that in solutions of NaCl the surface layer takes up an excessive amount of water and this may be prevented by the addition of suitable amounts of CaCl2. In Nitella the outer non-aqueous surface layer may be rendered irreversibly permeable by sharply bending the cell without permanent damage to the inner non-aqueous surface layer surrounding the vacuole. The formation of contractile vacuoles may be imitated in non-living systems. An extract of the sperm of the marine worm Nereis which contains a highly surface-active substance can cause the egg to divide. It seems possible that this substance may affect the surface layer of the egg and cause it to take up water. A surface-active substance has been found in all the seminal fluids examined including those of trout, rooster, bull, and man. Duponol which is highly surface-active causes the protoplasm of Spirogyra to take up water and finally dissolve but it can be restored to the gel state by treatment with Lugol solution (KI + I). The transition from gel to sol and back again can be repeated many times in succession. The behavior of water in the surface layer of the protoplasm presents important problems which deserve careful examination. PMID:13346047
The Venus SAGE Atmospheric Structure Investigation

NASA Technical Reports Server (NTRS)

Colaprete, Anthony; Crisp, Dave; LaBaw, Clayton; Morse, Stephanie

2005-01-01

Experiment goals and objectives are: a) To accurately define the state properties as a function of altitude from below the 10(exp -4) mb level (approx.150 km) to 92 bars (surface); b) To measure the stability of the atmosphere, and identify convective layers and stable layers, where they exist; c) To detect cloud levels from changes in the lapse rate at their boundaries; d) To provide state properties within the cloud levels, and thus provide supplementary information on cloud composition; e) To search for and characterize wave structure within the atmosphere; f) To search for and measure the intensity and scale of turbulence; g) To measure descent and surface wind speed and direction; h) To provide Lander altitude and attitude during decent for descent imaging analysis; and i) To provide a back-up landing sensor.
Highly Efficient Spin-to-Charge Current Conversion in Strained HgTe Surface States Protected by a HgCdTe Layer

NASA Astrophysics Data System (ADS)

Noel, P.; Thomas, C.; Fu, Y.; Vila, L.; Haas, B.; Jouneau, P.-H.; Gambarelli, S.; Meunier, T.; Ballet, P.; Attané, J. P.

2018-04-01

We report the observation of spin-to-charge current conversion in strained mercury telluride at room temperature, using spin pumping experiments. We show that a HgCdTe barrier can be used to protect the HgTe from direct contact with the ferromagnet, leading to very high conversion rates, with inverse Edelstein lengths up to 2.0 ±0.5 nm . The influence of the HgTe layer thickness on the conversion efficiency is found to differ strongly from what is expected in spin Hall effect systems. These measurements, associated with the temperature dependence of the resistivity, suggest that these high conversion rates are due to the spin momentum locking property of HgTe surface states.
Modification and intercalation of layered zirconium phosphates: a solid-state NMR monitoring.

PubMed

Bakhmutov, Vladimir I; Kan, Yuwei; Sheikh, Javeed Ahmad; González-Villegas, Julissa; Colón, Jorge L; Clearfield, Abraham

2017-07-01

Several layered zirconium phosphates treated with Zr(IV) ions, modified by monomethoxy-polyethyleneglycol-monophosphate and intercalated with doxorubicin hydrochloride have been studied by solid-state MAS NMR techniques. The organic components of the phosphates have been characterized by the 13 C{ 1 H} CP MAS NMR spectra compared with those of initial compounds. The multinuclear NMR monitoring has provided to establish structure and covalent attachment of organic/inorganic moieties to the surface and interlayer spaces of the phosphates. The MAS NMR experiments including kinetics of proton-phosphorus cross polarization have resulted in an unusual structure of zirconium phosphate 6 combining decoration of the phosphate surface by polymer units and their partial intercalation into the interlayer space. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.
Water-mediated solid-state transformation of a polymorphic drug during aqueous-based drug-layer coating of pellets.

PubMed

Lust, Andres; Lakio, Satu; Vintsevits, Julia; Kozlova, Jekaterina; Veski, Peep; Heinämäki, Jyrki; Kogermann, Karin

2013-11-01

During aqueous drug-layer coating, drug substance(s) are exposed to water and elevated temperatures which can lead to water-mediated process induced transformations (PITs). The effects of aqueous drug-layer coating of pellets (Cellets(®)) on the anhydrous piroxicam, PRX, were investigated in the miniaturized coating equipment and with free films. Hydroxypropyl methylcellulose (HPMC) was used as a carrier coating polymer. Free films were prepared by using an in-house small-scale rotating plate system equipped with an atomization air nozzle. Raman spectroscopy, X-ray powder diffraction (XRPD), differential scanning calorimetry (DSC), and scanning electron microscopy (SEM) were used to characterize the solid-state properties and surface morphology of the pellets and free films. The results showed that anhydrous PRX form I (AH) and monohydrate (MH) were stable during drug-layer coating, but amorphous PRX in solid dispersion (SD) crystallized as MH already after 10 min of coating. Furthermore, the increase in a dissolution rate was achieved from the drug-layer coated inert pellets compared to powder forms. In conclusion, water-mediated solid-state PITs of amorphous PRX is evident during aqueous-based drug-layer coating of pellets, and solid-state change can be verified using Raman spectroscopy. Copyright © 2013 Elsevier B.V. All rights reserved.
In situ study of emerging metallicity on ion-bombarded SrTiO3 surface

NASA Astrophysics Data System (ADS)

Gross, Heiko; Bansal, Namrata; Kim, Yong-Seung; Oh, Seongshik

2011-10-01

We report how argon bombardment induces metallic states on the surface of insulating SrTiO3 at different temperatures by combining in situ conductance measurements and model calculations. At cryogenic temperatures, ionic bombardment created a thin-but much thicker than the argon-penetration depth-steady-state oxygen-vacant layer, leading to a highly-concentric metallic state. Near room temperatures, however, significant thermal diffusion occurred and the metallic state continuously diffused into the bulk, leaving only low concentration of electron carriers on the surface. Analysis of the discrepancy between the experiments and the models also provided evidence for vacancy clustering, which seems to occur during any vacancy formation process and affects the observed conductance.
Effects of resolved boundary layer turbulence on near-ground rotation in simulated quasi-linear convective systems (QLCSs)

NASA Astrophysics Data System (ADS)

Nowotarski, C. J.

2017-12-01

Though most strong to violent tornadoes are associated with supercell thunderstorms, quasi-linear convective systems (QLCSs) pose a risk of tornadoes, often at times and locations where supercell tornadoes are less common. Because QLCS low-level mesocyclones and tornado signatures tend to be less coherent, forecasting such tornadoes remains particularly difficult. The majority of simulations of such storms rely on horizontally homogeneous base states lacking resolved boundary layer turbulence and surface fluxes. Previous work has suggested that heterogeneities associated with boundary layer turbulence in the form of horizontal convective rolls can influence the evolution and characteristics of low-level mesocyclones in supercell thunderstorms. This study extends methods for generating boundary layer convection to idealized simulations of QLCSs. QLCS simulations with resolved boundary layer turbulence will be compared against a control simulation with a laminar boundary layer. Effects of turbulence, the resultant heterogeneity in the near-storm environment, and surface friction on bulk storm characteristics and the intensity, morphology, and evolution of low-level rotation will be presented. Although maximum surface vertical vorticity values are similar, when boundary layer turbulence is included, a greater number of miso- and meso-scale vortices develop along the QLCS gust front. The source of this vorticity is analyzed using Eulerian decomposition of vorticity tendency terms and trajectory analysis to delineate the relative importance of surface friction and baroclinicity in generating QLCS vortices. The role of anvil shading in suppressing boundary layer turbulence in the near-storm environment and subsequent effects on QLCS vortices will also be presented. Finally, implications of the results regarding inclusion of more realistic boundary layers in future idealized simulations of deep convection will be discussed.
Response of the Land-Atmosphere System Over North-Central Oklahoma During the 2017 Eclipse

NASA Astrophysics Data System (ADS)

Turner, D. D.; Wulfmeyer, V.; Behrendt, A.; Bonin, T. A.; Choukulkar, A.; Newsom, R. K.; Brewer, W. A.; Cook, D. R.

2018-02-01

On 21 August 2017, a solar eclipse occurred over the continental United States resulting in a rapid reduction and subsequent increase of solar radiation over a large region of the country. The eclipse's effect on the land-atmosphere system is documented in unprecedented detail using a unique array of sensors deployed at three sites in north-central Oklahoma. The observations showed that turbulent fluxes of heat and momentum at the surface responded quickly to the change in solar radiation. The decrease in the sensible heat flux resulted in a decrease in the air temperature below 200 m, and a large decrease in turbulent motions throughout the boundary layer. Furthermore, the turbulent mixing in the boundary layer lagged behind the change in the surface fluxes, and this lag depended on the height above the surface. The turbulent motions increased and the convective boundary layer was reestablished as the sensible heat flux recovered.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Turner, D. D.; Wulfmeyer, V.; Behrendt, A.

On 21 August 2017, a solar eclipse occurred over the continental United States resulting in a rapid reduction and subsequent increase of solar radiation over a large region of the country. The eclipse’s effect on the land-atmosphere system is documented in unprecedented detail using a unique array of sensors deployed at three sites in north-central Oklahoma. The observations showed that turbulent fluxes of heat and momentum at the surface responded quickly to the change in solar radiation. The decrease in the sensible heat flux resulted in a decrease in the air temperature below 200 m, and a large decrease inmore » turbulent motions throughout the boundary layer. Furthermore, the turbulent mixing in the boundary layer lagged behind the change in the surface fluxes, and this lag depended on the height above the surface. The turbulent motions increased and the convective boundary layer was reestablished as the sensible heat flux recovered.« less
A global low order spectral model designed for climate sensitivity studies

NASA Technical Reports Server (NTRS)

Hanna, A. F.; Stevens, D. E.

1984-01-01

A two level, global, spectral model using pressure as a vertical coordinate is developed. The system of equations describing the model is nonlinear and quasi-geostrophic. A moisture budget is calculated in the lower layer only with moist convective adjustment between the two layers. The mechanical forcing of topography is introduced as a lower boundary vertical velocity. Solar forcing is specified assuming a daily mean zenith angle. On land and sea ice surfaces a steady state thermal energy equation is solved to calculate the surface temperature. Over the oceans the sea surface temperatures are prescribed from the climatological average of January. The model is integrated to simulate the January climate.
Two-dimensional Si nanosheets with local hexagonal structure on a MoS(2) surface.

PubMed

Chiappe, Daniele; Scalise, Emilio; Cinquanta, Eugenio; Grazianetti, Carlo; van den Broek, Bas; Fanciulli, Marco; Houssa, Michel; Molle, Alessandro

2014-04-02

The structural and electronic properties of a Si nanosheet (NS) grown onto a MoS2 substrate by means of molecular beam epitaxy are assessed. Epitaxially grown Si is shown to adapt to the trigonal prismatic surface lattice of MoS2 by forming two-dimensional nanodomains. The Si layer structure is distinguished from the underlying MoS2 surface structure. The local electronic properties of the Si nanosheet are dictated by the atomistic arrangement of the layer and unlike the MoS2 hosting substrate they are qualified by a gap-less density of states. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Synergy and Self-organization in Tribosystem’s evolution. Energy Model of Friction

NASA Astrophysics Data System (ADS)

Fedorov, S. V.; Assenova, E.

2018-01-01

Different approaches are known to treat self-organization in tribosystems, related to the structural adaptation in the formation of dissipative surface structures and of frictional or tribo-films, using of synergistic modifying of layers and coatings, e.g. of the selective material transfer during friction, etc. Regarding tribological processes in contact systems, self-organization is observed as spontaneous creation of higher ordered structures during the contact interaction. The proposed paper considers friction as process of transformation and dissipation of energy and process of elasto-plastic deformation localized in thin surface layers of the interacting bodies. Еnergetic interpretation of friction is proposed. Based on the energy balance equations of friction, the evolution of tribosystems is followed in its adaptive-dissipative character. It reflects the variable friction surfaces compatibility and the nonlinear dynamics of friction evolution. Structural-energy relationships in the contacting surfaces evolution are obtained. Maximum of tribosystem’s efficiency during the evolution is the stage of self-organzation of the friction surface layers, which is a state of abnormal low friction and wear.
Fuel cell anode configuration for CO tolerance

DOEpatents

Uribe, Francisco A.; Zawodzinski, Thomas A.

2004-11-16

A polymer electrolyte fuel cell (PEFC) is designed to operate on a reformate fuel stream containing oxygen and diluted hydrogen fuel with CO impurities. A polymer electrolyte membrane has an electrocatalytic surface formed from an electrocatalyst mixed with the polymer and bonded on an anode side of the membrane. An anode backing is formed of a porous electrically conductive material and has a first surface abutting the electrocatalytic surface and a second surface facing away from the membrane. The second surface has an oxidation catalyst layer effective to catalyze the oxidation of CO by oxygen present in the fuel stream where at least the layer of oxidation catalyst is formed of a non-precious metal oxidation catalyst selected from the group consisting of Cu, Fe, Co, Tb, W, Mo, Sn, and oxides thereof, and other metals having at least two low oxidation states.
Effect of physisorbed molecules and an external external fields on the metallic Shockley surface state of Cu(111): A density functional theory study

NASA Astrophysics Data System (ADS)

Berland, Kristian; Einstein, T. L.; Hyldgaard, Per

2012-02-01

To manipulate the Cu(111) partially-filled Shockley surface state, we study its response to an external fieldootnotetextKB, TLE, PH; arXiv 1109:6706 E and physisorbed PAHs and quinone molecules. We use density-functional theory calculations with periodic-boundary conditions. The van der Waals density functional version vdW-DF2 accounts for the molecular adsorption. The issue that the Kohn-Sham wave functions couple to both sides of the Cu slab is handled with a decoupling scheme based on a rotation in Hilbert space. A convergence study reveals that to obtain a proper Shockley surface state, 6 Cu layers is sufficient, while 15 is optimal. We use 6 layers for the response to the molecules and 15 to external field. We find that the surface state displays isotropic dispersion (up to order k^6), free-electron like until the Fermi wave vector but with a significant quartic component beyond. The shift in band minimum and effective mass depend linearly on E, with a smaller fractional change in the latter. Charge transfer occurs beyond the outermost copper atoms, and most of the screening is due to bulk electrons. We find that the molecular physisorption increases the band minimum, with the effect the of a quinone being much stronger than the corresponding PAH.
Effect of the Barrier Layer on the Upper Ocean Response to MJO Forcing

NASA Astrophysics Data System (ADS)

Bulusu, S.

2014-12-01

Recently, attention has been given to an upper ocean feature known as the Barrier Layer, which has been shown to impact meteorological phenomena from ENSO to tropical cyclones by suppressing vertical mixing, which reduces sea surface cooling and enhances surface heat fluxes. The calculation defines the Barrier Layer as the difference between the Isothermal Layer Depth (ILD) and Mixed Layer Depth (MLD). Proper representation of these features relies on precise observations of SSS to attain accurate measurements of the MLD and subsequently, the BLT. Compared to the many available in situ SSS measurements, the NASA Aquarius salinity mission currently obtains the closest observations to the true SSS. The role of subsurface features will be better understood through increased accuracy of SSS measurements. In this study BLT estimates are derived from satellite measurements using a multilinear regression model (MRM) in the Indian Ocean. The MRM relates BLT to satellite derived SSS, sea surface temperature (SST) and sea surface height anomalies (SSHA). Besides being a variable that responds passively to atmospheric conditions, SSS significantly controls upper ocean density and therefore the MLD. The formation of a Barrier Layer can lead to possible feedbacks that impact the atmospheric component of the Madden-Julian Oscillation (MJO), as stated as one of the three major hypotheses of the DYNAMO field campaign. This layer produces a stable stratification, reducing vertical mixing, which influences surface heat fluxes and thus could possibly impact atmospheric conditions during the MJO. Establishing the magnitude and extent of SSS variations during the MJO will be a useful tool for data assimilation into models to correctly represent both oceanic thermodynamic characteristics and atmospheric processes during intraseasonal variations.
Phase transition detection by surface photo charge effect in liquid crystals

NASA Astrophysics Data System (ADS)

Ivanov, O.; Petrov, M.; Naradikian, H.; Perez-Diaz, J. L.

2018-05-01

The surface photo charge effect (SPCE) was applied for the first time at structure and phase transitions study of hydrogen bonded in dimer liquid crystals (HBDLCs). Due to the high sensitivity of this method, besides first-order phase transitions, characteristic for the p,n-octyloxibenzoic acids (8OBA), an order transition was definitely detected within the nematic range. We state that the SPCE, arising at the solid-HBDLCs interface due to the double electrical layer, is invariably concomitant with solid surface-liquid interfaces, and indicates that the changes of the characteristics of this layer, under incident optical irradiation, induce surface charge rearrangement and alternating potential difference. A mechanism of induction of the SPCE at the interface of solid surface-anisotropic liquids is proposed. We also indicate that this mechanism can be adapted for solid surface-isotropic liquid interface, including colloids (milk) and fog (aerosols)-condensed medium.
Cu(In,Ga)Se2 surface treatment with Na and NaF: A combined photoelectron spectroscopy and surface photovoltage study in ultra-high vacuum

NASA Astrophysics Data System (ADS)

Parvan, V.; Mizrak, A.; Majumdar, I.; Ümsür, B.; Calvet, W.; Greiner, D.; Kaufmann, C. A.; Dittrich, T.; Avancini, E.; Lauermann, I.

2018-06-01

Either metallic Na or NaF were deposited onto Cu(In,Ga)Se2 surfaces and studied by photoelectron spectroscopy and surface photovoltage spectroscopy without breaking the ultra-high vacuum. The deposition of elemental Na at room temperature led to the formation of an intermediate Cu and Ga rich layer at the CIGSe surface, whereas for NaF the composition of the CIGSe surface remained unchanged. A metal like surface induced by an inverted near surface region with a reduced number of defect states was formed after the deposition of Na. Under the chosen experimental conditions, the near surface layer was independent on the amount of Na and stable in time. In contrast, the usage of NaF weakened the inversion and led to an increased band bending compared to the untreated CIGSe sample. The SPV signals decreased with proceeding time after the deposition of NaF.
Corrosion of NiTi Wires with Cracked Oxide Layer

NASA Astrophysics Data System (ADS)

Racek, Jan; Šittner, Petr; Heller, Luděk; Pilch, Jan; Petrenec, Martin; Sedlák, Petr

2014-07-01

Corrosion behavior of superelastic NiTi shape memory alloy wires with cracked TiO2 surface oxide layers was investigated by electrochemical corrosion tests (Electrochemical Impedance Spectroscopy, Open Circuit Potential, and Potentiodynamic Polarization) on wires bent into U-shapes of various bending radii. Cracks within the oxide on the surface of the bent wires were observed by FIB-SEM and TEM methods. The density and width of the surface oxide cracks dramatically increase with decreasing bending radius. The results of electrochemical experiments consistently show that corrosion properties of NiTi wires with cracked oxide layers (static load keeps the cracks opened) are inferior compared to the corrosion properties of the straight NiTi wires covered by virgin uncracked oxides. Out of the three methods employed, the Electrochemical Impedance Spectroscopy seems to be the most appropriate test for the electrochemical characterization of the cracked oxide layers, since the impedance curves (Nyquist plot) of differently bent NiTi wires can be associated with increasing state of the surface cracking and since the NiTi wires are exposed to similar conditions as the surfaces of NiTi implants in human body. On the other hand, the potentiodynamic polarization test accelerates the corrosion processes and provides clear evidence that the corrosion resistance of bent superelastic NiTi wires degrades with oxide cracking.

Incorporating microorganisms into polymer layers provides bioinspired functional living materials

PubMed Central

Gerber, Lukas C.; Koehler, Fabian M.; Grass, Robert N.; Stark, Wendelin J.

2012-01-01

Artificial two-dimensional biological habitats were prepared from porous polymer layers and inoculated with the fungus Penicillium roqueforti to provide a living material. Such composites of classical industrial ingredients and living microorganisms can provide a novel form of functional or smart materials with capability for evolutionary adaptation. This allows realization of most complex responses to environmental stimuli. As a conceptual design, we prepared a material surface with self-cleaning capability when subjected to standardized food spill. Fungal growth and reproduction were observed in between two specifically adapted polymer layers. Gas exchange for breathing and transport of nutrient through a nano-porous top layer allowed selective intake of food whilst limiting the microorganism to dwell exclusively in between a confined, well-enclosed area of the material. We demonstrated a design of such living materials and showed both active (eating) and waiting (dormant, hibernation) states with additional recovery for reinitiation of a new active state by observing the metabolic activity over two full nutrition cycles of the living material (active, hibernation, reactivation). This novel class of living materials can be expected to provide nonclassical solutions in consumer goods such as packaging, indoor surfaces, and in biotechnology. PMID:22198770
Ultra-fine structures of Pd-Ag-HAp nanoparticle deposition on protruded TiO2 barrier layer for dental implant

NASA Astrophysics Data System (ADS)

Jang, Jae-Myung; Kim, Seung-Dai; Park, Tae-Eon; Choe, Han-Cheol

2018-02-01

The biocompatibility structure of an implant surface is of great importance to the formation of new bone tissue around the dental implant and also has a significant chemical reaction in the osseointegration process. Thus, ultra-fine Pd-Ag-HAp nanoparticles have been electrodeposited on protruded TiO2 barrier layer in mixed electrolyte solutions. Unusual protrusions patterns, which are assigned to Pd-Ag-HAp nanoparticles, can be clearly differentiated from a TiO2 nanotube oxide layer formed by an anodizing process. In the chemical bonding state, the surface characteristics of Pd/Ag/HAp compounds have been investigated by FE-SEM, EDS mapping analysis, and XPS analysis. The mapping dots of the elements including Ti, Ca, Pd, Ag, and P showed a homogeneous distribution throughout the entire surface when deposited onto the protruded TiO2 barrier layer. The XPS spectra of Ti-2p, O-1S, Pd-3d, and Ag-3d have been investigated, with the major XPS peak indicating Pd-3d. The Ag-3d level was clearly observed with further scanning of the Ca-2p region. Based on the results of the chemical states, the structural properties of the protrusion patterns were also examined after being deposited onto the barrier oxide film, resulting in the representative protrusion patterns being mainly composed of Pd-Ag-HAp compounds. The results of the soaking evaluation showed that the protrusion patterns and the protruded TiO2 barrier layer were all effective in regards to biocompatibility.
Rayleigh-Bénard-Marangoni convection in a weakly non-Boussinesq fluid layer with a deformable surface

NASA Astrophysics Data System (ADS)

Lyubimov, D. V.; Lyubimova, T. P.; Lobov, N. I.; Alexander, J. I. D.

2018-02-01

The influence of surface deformations on the Rayleigh-Bénard-Marangoni instability of a uniform layer of a non-Boussinesq fluid heated from below is investigated. In particular, the stability of the conductive state of a horizontal fluid layer with a deformable surface, a flat isothermal rigid lower boundary, and a convective heat transfer condition at the upper free surface is considered. The fluid is assumed to be isothermally incompressible. In contrast to the Boussinesq approximation, density variations are accounted for in the continuity equation and in the buoyancy and inertial terms of the momentum equations. Two different types of temperature dependence of the density are considered: linear and exponential. The longwave instability is studied analytically, and instability to perturbations with finite wavenumber is examined numerically. It is found that there is a decrease in stability of the system with respect to the onset of longwave Marangoni convection. This result could not be obtained within the framework of the conventional Boussinesq approximation. It is also shown that at Ma = 0 the critical Rayleigh number increases with Ga (the ratio of gravity to viscous forces or Galileo number). At some value of Ga, the Rayleigh-Bénard instability vanishes. This stabilization occurs for each of the density equations of state. At small values of Ga and when deformation of the free surface is important, it is shown that there are significant differences in stability behavior as compared to results obtained using the Boussinesq approximation.
Modeled Seasonal Variations of Firn Density Induced by Steady State Surface Air Temperature Cycle

NASA Technical Reports Server (NTRS)

Jun, Li; Zwally, H. Jay; Koblinsky, Chester J. (Technical Monitor)

2001-01-01

Seasonal variations of firn density in ice-sheet firn layers have been attributed to variations in deposition processes or other processes within the upper firn. A recent high-resolution (mm scale) density profile, measured along a 181 m core from Antarctica, showed small-scale density variations with a clear seasonal cycle that apparently was not-related to seasonal variations in deposition or known near-surface processes (Gerland and others 1999). A recent model of surface elevation changes (Zwally and Li, submitted) produced a seasonal variation in firn densification, and explained the seasonal surface elevation changes observed by satellite radar altimeters. In this study, we apply our 1-D time-dependent numerical model of firn densification that includes a temperature-dependent formulation of firn densification based on laboratory measurements of grain growth. The model is driven by a steady-state seasonal surface temperature and a constant accumulation rate appropriate for the measured Antarctic ice core. The modeled seasonal variations in firn density show that the layers of snow deposited during spring to mid-summer with the highest temperature history compress to the highest density, and the layers deposited during later summer to autumn with the lowest temperature history compress to the lowest density. The initial amplitude of the seasonal difference of about 0.13 reduces to about 0.09 in five years and asymptotically to 0.92 at depth, which is consistent with the core measurements.
IMPACTS OF GLOBAL CHANGE ON UV EXPOSURE IN COASTAL SHELF REGIONS OF THE SOUTHEASTERN UNITED STATES

EPA Science Inventory

Global change has a variety of impact on UV exposure in coastal shelf regions of the southeastern United States. Changes in solar UV reaching the water surface have been caused by human alterations of atmospheric composition such as depletion of the ozone layer.
Lubricant-infused micro/nano-structured surfaces with tunable dynamic omniphobicity at high temperatures

DOE PAGES

Daniel, Daniel; Mankin, Max N.; Belisle, Rebecca A.; ...

2013-06-10

Omniphobic surfaces that can repel fluids at temperatures higher than 100 °C are rare. Most state-of- the-art liquid-repellent materials are based on the lotus effect, where a thin air layer is maintained throughout micro/nanotextures leading to high mobility of liquids. However, such behavior eventually fails at elevated temperatures when the surface tension of test liquids decreases significantly. Here, we demonstrate a class of lubricant-infused structured surfaces that can maintain a robust omniphobic state even for low-surface-tension liquids at temperatures up to at least 200 °C. We also demonstrate how liquid mobility on such surfaces can be tuned by a factormore » of 1000.« less
Atomic and electronic structures of Si(1 1 1)-(√3 x √3)R30°-Au and (6 × 6)-Au surfaces.

PubMed

Patterson, C H

2015-12-02

Si(1 1 1)-Au surfaces with around one monolayer of Au exhibit many ordered structures and structures containing disordered domain walls. Hybrid density functional theory (DFT) calculations presented here reveal the origin of these complex structures and tendency to form domain walls. The conjugate honeycomb chain trimer (CHCT) structure of the [Formula: see text]-Au phase contains Si atoms with non-bonding surface states which can bind Au atoms in pairs in interstices of the CHCT structure and make this surface metallic. Si adatoms adsorbed on the [Formula: see text]-Au surface induce a gapped surface through interaction with the non-bonding states. Adsorption of extra Au atoms in interstitial sites of the [Formula: see text]-Au surface is stabilized by interaction with the non-bonding orbitals and leads to higher coverage ordered structures including the [Formula: see text]-Au phase. Extra Au atoms bound in interstitial sites of the [Formula: see text]-Au surface result in top layer Si atoms with an SiAu4 butterfly wing configuration. The structure of a [Formula: see text]-Au phase, whose in-plane top atomic layer positions were previously determined by an electron holography technique (Grozea et al 1998 Surf. Sci. 418 32), is calculated using total energy minimization. The Patterson function for this structure is calculated and is in good agreement with data from an in-plane x-ray diffraction study (Dornisch et al 1991 Phys. Rev. B 44 11221). Filled and empty state scanning tunneling microscopy (STM) images are calculated for domain walls and the [Formula: see text]-Au structure. The [Formula: see text]-Au phase is 2D chiral and this is evident in computed and actual STM images. [Formula: see text]-Au and domain wall structures contain the SiAu4 motif with a butterfly wing shape. Chemical bonding within the Si-Au top layers of the [Formula: see text]-Au and [Formula: see text]-Au surfaces is analyzed and an explanation for the SiAu4 motif structure is given.
Analysis of current-driven oscillatory dynamics of single-layer homoepitaxial islands on crystalline conducting substrates

NASA Astrophysics Data System (ADS)

Dasgupta, Dwaipayan; Kumar, Ashish; Maroudas, Dimitrios

2018-03-01

We report results of a systematic study on the complex oscillatory current-driven dynamics of single-layer homoepitaxial islands on crystalline substrate surfaces and the dependence of this driven dynamical behavior on important physical parameters, including island size, substrate surface orientation, and direction of externally applied electric field. The analysis is based on a nonlinear model of driven island edge morphological evolution that accounts for curvature-driven edge diffusion, edge electromigration, and edge diffusional anisotropy. Using a linear theory of island edge morphological stability, we calculate a critical island size at which the island's equilibrium edge shape becomes unstable, which sets a lower bound for the onset of time-periodic oscillatory dynamical response. Using direct dynamical simulations, we study the edge morphological dynamics of current-driven single-layer islands at larger-than-critical size, and determine the actual island size at which the migrating islands undergo a transition from steady to time-periodic asymptotic states through a subcritical Hopf bifurcation. At the highest symmetry of diffusional anisotropy examined, on {111} surfaces of face-centered cubic crystalline substrates, we find that more complex stable oscillatory states can be reached through period-doubling bifurcation at island sizes larger than those at the Hopf points. We characterize in detail the island morphology and dynamical response at the stable time-periodic asymptotic states, determine the range of stability of these oscillatory states terminated by island breakup, and explain the morphological features of the stable oscillating islands on the basis of linear stability theory.
Significant performance enhancement of InGaN/GaN nanorod LEDs with multi-layer graphene transparent electrodes by alumina surface passivation

NASA Astrophysics Data System (ADS)

Latzel, M.; Büttner, P.; Sarau, G.; Höflich, K.; Heilmann, M.; Chen, W.; Wen, X.; Conibeer, G.; Christiansen, S. H.

2017-02-01

Nanotextured surfaces provide an ideal platform for efficiently capturing and emitting light. However, the increased surface area in combination with surface defects induced by nanostructuring e.g. using reactive ion etching (RIE) negatively affects the device’s active region and, thus, drastically decreases device performance. In this work, the influence of structural defects and surface states on the optical and electrical performance of InGaN/GaN nanorod (NR) light emitting diodes (LEDs) fabricated by top-down RIE of c-plane GaN with InGaN quantum wells was investigated. After proper surface treatment a significantly improved device performance could be shown. Therefore, wet chemical removal of damaged material in KOH solution followed by atomic layer deposition of only 10 {nm} alumina as wide bandgap oxide for passivation were successfully applied. Raman spectroscopy revealed that the initially compressively strained InGaN/GaN LED layer stack turned into a virtually completely relaxed GaN and partially relaxed InGaN combination after RIE etching of NRs. Time-correlated single photon counting provides evidence that both treatments—chemical etching and alumina deposition—reduce the number of pathways for non-radiative recombination. Steady-state photoluminescence revealed that the luminescent performance of the NR LEDs is increased by about 50% after KOH and 80% after additional alumina passivation. Finally, complete NR LED devices with a suspended graphene contact were fabricated, for which the effectiveness of the alumina passivation was successfully demonstrated by electroluminescence measurements.
Significant performance enhancement of InGaN/GaN nanorod LEDs with multi-layer graphene transparent electrodes by alumina surface passivation.

PubMed

Latzel, M; Büttner, P; Sarau, G; Höflich, K; Heilmann, M; Chen, W; Wen, X; Conibeer, G; Christiansen, S H

2017-02-03

Nanotextured surfaces provide an ideal platform for efficiently capturing and emitting light. However, the increased surface area in combination with surface defects induced by nanostructuring e.g. using reactive ion etching (RIE) negatively affects the device's active region and, thus, drastically decreases device performance. In this work, the influence of structural defects and surface states on the optical and electrical performance of InGaN/GaN nanorod (NR) light emitting diodes (LEDs) fabricated by top-down RIE of c-plane GaN with InGaN quantum wells was investigated. After proper surface treatment a significantly improved device performance could be shown. Therefore, wet chemical removal of damaged material in KOH solution followed by atomic layer deposition of only 10 [Formula: see text] alumina as wide bandgap oxide for passivation were successfully applied. Raman spectroscopy revealed that the initially compressively strained InGaN/GaN LED layer stack turned into a virtually completely relaxed GaN and partially relaxed InGaN combination after RIE etching of NRs. Time-correlated single photon counting provides evidence that both treatments-chemical etching and alumina deposition-reduce the number of pathways for non-radiative recombination. Steady-state photoluminescence revealed that the luminescent performance of the NR LEDs is increased by about 50% after KOH and 80% after additional alumina passivation. Finally, complete NR LED devices with a suspended graphene contact were fabricated, for which the effectiveness of the alumina passivation was successfully demonstrated by electroluminescence measurements.
Single-electron induced surface plasmons on a topological nanoparticle

PubMed Central

Siroki, G.; Lee, D.K.K.; Haynes, P. D.; Giannini, V.

2016-01-01

It is rarely the case that a single electron affects the behaviour of several hundred thousands of atoms. Here we demonstrate a phenomenon where this happens. The key role is played by topological insulators—materials that have surface states protected by time-reversal symmetry. Such states are delocalized over the surface and are immune to its imperfections in contrast to ordinary insulators. For topological insulators, the effects of these surface states will be more strongly pronounced in the case of nanoparticles. Here we show that under the influence of light a single electron in a topologically protected surface state creates a surface charge density similar to a plasmon in a metallic nanoparticle. Such an electron can act as a screening layer, which suppresses absorption inside the particle. In addition, it can couple phonons and light, giving rise to a previously unreported topological particle polariton mode. These effects may be useful in the areas of plasmonics, cavity electrodynamics and quantum information. PMID:27491515
Annealing-Induced Bi Bilayer on Bi2Te3 Investigated via Quasi-Particle-Interference Mapping.

PubMed

Schouteden, Koen; Govaerts, Kirsten; Debehets, Jolien; Thupakula, Umamahesh; Chen, Taishi; Li, Zhe; Netsou, Asteriona; Song, Fengqi; Lamoen, Dirk; Van Haesendonck, Chris; Partoens, Bart; Park, Kyungwha

2016-09-27

Topological insulators (TIs) are renowned for their exotic topological surface states (TSSs) that reside in the top atomic layers, and hence, detailed knowledge of the surface top atomic layers is of utmost importance. Here we present the remarkable morphology changes of Bi2Te3 surfaces, which have been freshly cleaved in air, upon subsequent systematic annealing in ultrahigh vacuum and the resulting effects on the local and area-averaging electronic properties of the surface states, which are investigated by combining scanning tunneling microscopy (STM), scanning tunneling spectroscopy (STS), and Auger electron spectroscopy (AES) experiments with density functional theory (DFT) calculations. Our findings demonstrate that the annealing induces the formation of a Bi bilayer atop the Bi2Te3 surface. The adlayer results in n-type doping, and the atomic defects act as scattering centers of the TSS electrons. We also investigated the annealing-induced Bi bilayer surface on Bi2Te3 via voltage-dependent quasi-particle-interference (QPI) mapping of the surface local density of states and via comparison with the calculated constant-energy contours and QPI patterns. We observed closed hexagonal patterns in the Fourier transform of real-space QPI maps with secondary outer spikes. DFT calculations attribute these complex QPI patterns to the appearance of a "second" cone due to the surface charge transfer between the Bi bilayer and the Bi2Te3. Annealing in ultrahigh vacuum offers a facile route for tuning of the topological properties and may yield similar results for other topological materials.
Mechanisms Responsible for the Observed Thermodynamic Structure in a Convective Boundary Layer Over the Hudson Valley of New York State

NASA Astrophysics Data System (ADS)

Freedman, Jeffrey M.; Fitzjarrald, David R.

2017-02-01

We examine cases of a regional elevated mixed layer (EML) observed during the Hudson Valley Ambient Meteorology Study (HVAMS) conducted in New York State, USA in 2003. Previously observed EMLs referred to topographic domains on scales of 105 -106 km2 . Here, we present observational evidence of the mechanisms responsible for the development and maintenance of regional EMLs overlying a valley-based convective boundary layer (CBL) on much smaller spatial scales (<5000 km2) . Using observations from aircraft-based, balloon-based, and surface-based platforms deployed during the HVAMS, we show that cross-valley horizontal advection, along-valley channelling, and fog-induced cold-air pooling are responsible for the formation and maintenance of the EML and valley-CBL coupling over New York State's Hudson Valley. The upper layer stability of the overlying EML constrains growth of the valley CBL, and this has important implications for air dispersion, aviation interests, and fog forecasting.
Influences of surface hydrophilicity on frost formation on a vertical cold plate under natural convection conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Zhongliang; Zhang, Xinghua; Wang, Hongyan

2007-07-15

Surface hydrophilicity has a strong influence on frost nucleation according to phase transition theory. To study this effect, a close observation of frost formation and deposition processes on a vertical plate was made under free convection conditions. The formation and shape variation of frost crystals during the initial period are described and the frost thickness variation with time on both hydrophobic and plain copper cold surfaces are presented. The various influencing factors are discussed in depth. The mechanism of surface hydrophilicity influence on frost formation was analyzed theoretically. This revealed that increasing the contact angle can increase the potential barriermore » and restrain crystal nucleation and growth and thus frost deposition. The experimental results show that the initial water drops formed on a hydrophobic surface are smaller and remain in the liquid state for a longer time compared with ones formed on a plain copper surface. It is also observed that the frost layer deposited on a hydrophobic surface is loose and weak. Though the hydrophobic surface can retard frost formation to a certain extent and causes a looser frost layer, our experimental results show that it does not depress the growth of the frost layer. (author)« less
Laser polishing for topography management of accelerator cavity surfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Liang; Klopf, J. Mike; Reece, Charles E.

2015-07-20

Improved energy efficiency and reduced cost are greatly desired for advanced particle accelerators. Progress toward both can be made by atomically-smoothing the interior surface of the niobium superconducting radiofrequency accelerator cavities at the machine's heart. Laser polishing offers a green alternative to the present aggressive chemical processes. We found parameters suitable for polishing niobium in all surface states expected for cavity production. As a result, careful measurement of the resulting surface chemistry revealed a modest thinning of the surface oxide layer, but no contamination.
Ultra-fine structural characterization and bioactivity evaluation of TiO2 nanotube layers.

PubMed

Jang, JaeMyung; Kwon, TaeYub; Kim, KyoHan

2008-10-01

For an application as biomedical materials of high performance with a good biocompatibility, the TiO2 nanotube-type oxide film on Ti substrate has been fabricated by electrochemical method, and the effects of surface characteristics of TiO2 naotube layer have been investigated. The surface morphology of TiO2 nanotube layer depends on factors such as anodizing time, current density, and electrolyte temperature. Moreover, the cell and pore size gradually were increased with the passage of anodizing time. X-ray diffraction (XRD) results indicated that the TiO2 nanotube layer formed in acidic electrolytes was mainly composed of anatase structure containing rutile. From the analysis of chemical states of TiO2 nanotube layer using X-ray photoelectron spectroscopy (XPS), Ti2p, P2p and O1s were observed in the nanotubes layer, which were penetrated from the electrolyte into the oxide layer during anodic process. The incorporated phosphate species were found mostly in the forms of HPO4-, PO4-, and PO3-. From the result of biological evaluation in simulated body fluid (SBF) the TiO2 nanotube layer was effective for bioactive property.
Two-dimensional electronic transport and surface electron accumulation in MoS2.

PubMed

Siao, M D; Shen, W C; Chen, R S; Chang, Z W; Shih, M C; Chiu, Y P; Cheng, C-M

2018-04-12

Because the surface-to-volume ratio of quasi-two-dimensional materials is extremely high, understanding their surface characteristics is crucial for practically controlling their intrinsic properties and fabricating p-type and n-type layered semiconductors. Van der Waals crystals are expected to have an inert surface because of the absence of dangling bonds. However, here we show that the surface of high-quality synthesized molybdenum disulfide (MoS 2 ) is a major n-doping source. The surface electron concentration of MoS 2 is nearly four orders of magnitude higher than that of its inner bulk. Substantial thickness-dependent conductivity in MoS 2 nanoflakes was observed. The transfer length method suggested the current transport in MoS 2 following a two-dimensional behavior rather than the conventional three-dimensional mode. Scanning tunneling microscopy and angle-resolved photoemission spectroscopy measurements confirmed the presence of surface electron accumulation in this layered material. Notably, the in situ-cleaved surface exhibited a nearly intrinsic state without electron accumulation.
Suppression of carbon desorption from 4H-SiC by irradiating a remote nitrogen plasma at a low temperature

NASA Astrophysics Data System (ADS)

Shimabayashi, Masaharu; Kurihara, Kazuaki; Sasaki, Koichi

2018-05-01

We remotely irradiated a nitrogen plasma onto the carbon-side surface of 4H-SiC at a low temperature, and examined the effect of sample cooling on the characteristics of the nitride layer. An improved nitride layer, which had higher concentrations of carbon and silicon and a lower concentration of oxygen, was formed in the region at depths of more than 0.6–0.9 nm from the top surface. The depth of the fragile nitride layer in the top region, where no improved characteristics of the nitride layer were observed, became smaller with sample cooling. In addition, on the basis of the experimental results, we discussed the difference in the activation energy of the nitriding reaction of 4H-SiC supported by atomic nitrogen and molecular nitrogen in the metastable \\text{A}3Σ \\text{u} + state.
Trace and surface analysis of ceramic layers of solid oxide fuel cells by mass spectrometry.

PubMed

Becker, J S; Breuer, U; Westheide, J; Saprykin, A I; Holzbrecher, H; Nickel, H; Dietze, H J

1996-06-01

For the trace analysis of impurities in thick ceramic layers of a solid oxide fuel cell (SOFC) sensitive solid-state mass spectrometric methods, such as laser ablation inductively coupled plasma mass spectrometry (LA-ICP-MS) and radiofrequency glow discharge mass spectrometry (rf-GDMS) have been developed and used. In order to quantify the analytical results of LA-ICP-MS, the relative sensitivity coefficients of elements in a La(0.6)Sr(0.35)MnO(3) matrix have been determined using synthetic standards. Secondary ion mass spectrometry (SIMS) - as a surface analytical method - has been used to characterize the element distribution and diffusion profiles of matrix elements on the interface of a perovskite/Y-stabilized ZrO(2) layer. The application of different mass spectrometric methods for process control in the preparation of ceramic layers for the SOFC is described.
Perforation patterned electrical interconnects

DOEpatents

Frey, Jonathan

2014-01-28

This disclosure describes systems and methods for increasing the usable surface area of electrical contacts within a device, such as a thin film solid state device, through the implementation of electrically conductive interconnects. Embodiments described herein include the use of a plurality of electrically conductive interconnects that penetrate through a top contact layer, through one or more multiple layers, and into a bottom contact layer. The plurality of conductive interconnects may form horizontal and vertical cross-sectional patterns. The use of lasers to form the plurality of electrically conductive interconnects from reflowed layer material further aids in the manufacturing process of a device.

Impact of the Topological Surface State on the Thermoelectric Transport in Sb2Te3 Thin Films.

PubMed

Hinsche, Nicki F; Zastrow, Sebastian; Gooth, Johannes; Pudewill, Laurens; Zierold, Robert; Rittweger, Florian; Rauch, Tomáš; Henk, Jürgen; Nielsch, Kornelius; Mertig, Ingrid

2015-04-28

Ab initio electronic structure calculations based on density functional theory and tight-binding methods for the thermoelectric properties of p-type Sb2Te3 films are presented. The thickness-dependent electrical conductivity and the thermopower are computed in the diffusive limit of transport based on the Boltzmann equation. Contributions of the bulk and the surface to the transport coefficients are separated, which enables to identify a clear impact of the topological surface state on the thermoelectric properties. When the charge carrier concentration is tuned, a crossover between a surface-state-dominant and a Fuchs-Sondheimer transport regime is achieved. The calculations are corroborated by thermoelectric transport measurements on Sb2Te3 films grown by atomic layer deposition.
Layer-selective synthesis of bilayer graphene via chemical vapor deposition

NASA Astrophysics Data System (ADS)

Yang, Ning; Choi, Kyoungjun; Robertson, John; Park, Hyung Gyu

2017-09-01

A controlled synthesis of high-quality AB-stacked bilayer graphene by chemical vapor deposition demands a detailed understanding of the mechanism and kinetics. By decoupling the growth of the two layers via a growth-and-regrowth scheme, we report the kinetics and termination mechanisms of the bilayer graphene growth on copper. We observe, for the first time, that the secondary layer growth follows Gompertzian kinetics. Our observations affirm the postulate of a time-variant transition from a mass-transport-limited to a reaction-limited regimes and identify the mechanistic disparity between the monolayer growth and the secondary-layer expansion underneath the monolayer cover. It is the continuous carbon supply that drives the expansion of the graphene secondary layer, rather than the initially captured carbon amount, suggesting an essential role of the surface diffusion of reactant adsorbates in the interspace between the top graphene layer and the underneath copper surface. We anticipate that the layer selectivity of the growth relies on the entrance energetics of the adsorbed reactants to the graphene-copper interspace across the primary-layer edge, which could be engineered by tailoring the edge termination state. The temperature-reliant saturation area of the secondary-layer expansion is understood as a result of competitive attachment of carbon and hydrogen adatoms to the secondary-layer graphene edge.
Tuning Topological Surface States by Charge Transfer

NASA Astrophysics Data System (ADS)

Chen, Zhiyi

Three-dimensional (3D) topological insulators (TIs), Bi2Se 3, Bi2Te3, Sb2Te3, are a class of materials that has non-trivial bulk band structure and metallic surface states. Access to charge transport through Dirac surface states in TIs can be challenging due to their intermixing with bulk states or non-topological two-dimensional electron gas quantum well states caused by bending of electronic bands near the surface. The band bending arises via charge transfer from surface adatoms or interfaces and, therefore, the choice of layers abutting topological surfaces is critical. Surfaces of these 3D TIs have also been proposed to host new quantum phases at the interfaces with other types of materials, provided that the topological properties of interfacial regions remain unperturbed. This thesis presents a systematic experimental study of both bulk conducting and surface charge transfer problems. We started with optimizing growth condition of Bi2Se3 on various substrates, to achieve best quality of Bi2Se3 single layers we can get. We then move on to growth of Bi2Se3/ZnxCd1-xSe bilayers. Here we improved lattice mismatch between Bi2Se 3 and ZnxCd1-xSe layers by tuning lattice parameter of ZnxCd1-xSe. After that, we achieved molecular beam epitaxial growth of Bi2Se3/ZnxCd1-x Se superlattices that hold only one topological surface channel per TI layer. The topological nature of conducting channels is supported by pi-Berry phase evident from observed Shubnikov de Haas quantum oscillations and by the associated two-dimensional weak antilocalization quantum interference correction to magnetoresistance. Both density functional theory calculations and transport measurements suggest that a single topological Dirac cone per TI layer can be realized by asymmetric interfaces: Se-terminated Znx Cd1-xSe interface with the TI remains 'electronically intact', while charge transfer occurs at the Zn-terminated interface. Our findings indicate that topological transport could be controlled by adjusting charge transfer from non-topological spacers in hybrid structures. The first chapter contains a brief introduction to TIs. It describes basic concepts and notations used later in the bulk of the thesis. These include the topological surface states of a TI, crystal structure of 3D TIs, the origin of defects and their effects on transport study. The second chapter presents experimental techniques employed for growth and for structural, and electrical characterization of the 3D TIs thin films and superlattices. First, every component of our custom-designed molecular beam epitaxy system will be described in detail, and then the important in situ surface morphology monitoring tool - RHEED will also be mentioned, as well as high resolution X-ray diffraction (XRD). In the second part, a standard procedure for device fabrication will be presented. The last part will focus on the electron transport measurement setup and various techniques for characterization. In the third chapter we present explorations of different substrates for growth of Bi2Se3 thin films, describe growth of Bi2Se3 thin films on sapphire, GaAs(111), InP(001) and InP(111), then optimize growth conditions accordingly. The quality of films are investigated to study the effects of substrates on quality of the films. The fourth chapter is a growth study of superlattice of a TI with a traditional II-VI semiconductor, Bi2Se3/ZnxCd1-x Se. we explore II-VI semiconductor family and study the optimal material to grow on top of Bi2Se3. Then we focus on the growth of Bi2Se3/ZnxCd1-xSe superlattice and structural study. The fifth chapter studies charge transfer at the interface between Bi 2Se3 layer and ZnxCd1-xSe layer. We start by looking at the result of charge transport study of our superlattice. Then we will present the result of our density functional theory (DFT) calculation, which showed completely different charge transfer between Bi2Se 3 sits on top of ZnxCd1-xSe and ZnxCd 1-xSe on top of Bi2Se3. This will provide a perfect explanation of our experimental results. Then we designed experiment using transport measurement to test and confirm out explanation. The sixth chapter gives a short summary of this thesis work and a proposal for future work.
Quantitative characterization of material surface — Application to Ni + Mo electrolytic composite coatings

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kubisztal, J., E-mail: julian.kubisztal@us.edu.pl

A new approach to numerical analysis of maps of material surface has been proposed and discussed in detail. It was concluded that the roughness factor RF and the root mean square roughness S{sub q} show a saturation effect with increasing size of the analysed maps what allows determining the optimal map dimension representative of the examined material. A quantitative method of determining predominant direction of the surface texture based on the power spectral density function is also proposed and discussed. The elaborated method was applied in surface analysis of Ni + Mo composite coatings. It was shown that co-deposition ofmore » molybdenum particles in nickel matrix leads to an increase in surface roughness. In addition, a decrease in size of the embedded Mo particles in Ni matrix causes an increase of both the surface roughness and the surface texture. It was also stated that the relation between the roughness factor and the double layer capacitance C{sub dl} of the studied coatings is linear and allows determining the double layer capacitance of the smooth nickel electrode. - Highlights: •Optimization of the procedure for the scanning of the material surface •Quantitative determination of the surface roughness and texture intensity •Proposition of the parameter describing privileged direction of the surface texture •Determination of the double layer capacitance of the smooth electrode.« less
Characterizing fluorocarbon assisted atomic layer etching of Si using cyclic Ar/C4F8 and Ar/CHF3 plasma

NASA Astrophysics Data System (ADS)

Metzler, Dominik; Li, Chen; Engelmann, Sebastian; Bruce, Robert L.; Joseph, Eric A.; Oehrlein, Gottlieb S.

2017-02-01

With the increasing interest in establishing directional etching methods capable of atomic scale resolution for fabricating highly scaled electronic devices, the need for development and characterization of atomic layer etching processes, or generally etch processes with atomic layer precision, is growing. In this work, a flux-controlled cyclic plasma process is used for etching of SiO2 and Si at the Angstrom-level. This is based on steady-state Ar plasma, with periodic, precise injection of a fluorocarbon (FC) precursor (C4F8 and CHF3) and synchronized, plasma-based Ar+ ion bombardment [D. Metzler et al., J. Vac. Sci. Technol., A 32, 020603 (2014) and D. Metzler et al., J. Vac. Sci. Technol., A 34, 01B101 (2016)]. For low energy Ar+ ion bombardment conditions, physical sputter rates are minimized, whereas material can be etched when FC reactants are present at the surface. This cyclic approach offers a large parameter space for process optimization. Etch depth per cycle, removal rates, and self-limitation of removal, along with material dependence of these aspects, were examined as a function of FC surface coverage, ion energy, and etch step length using in situ real time ellipsometry. The deposited FC thickness per cycle is found to have a strong impact on etch depth per cycle of SiO2 and Si but is limited with regard to control over material etching selectivity. Ion energy over the 20-30 eV range strongly impacts material selectivity. The choice of precursor can have a significant impact on the surface chemistry and chemically enhanced etching. CHF3 has a lower FC deposition yield for both SiO2 and Si and also exhibits a strong substrate dependence of FC deposition yield, in contrast to C4F8. The thickness of deposited FC layers using CHF3 is found to be greater for Si than for SiO2. X-ray photoelectron spectroscopy was used to study surface chemistry. When thicker FC films of 11 Å are employed, strong changes of FC film chemistry during a cycle are seen whereas the chemical state of the substrate varies much less. On the other hand, for FC film deposition of 5 Å for each cycle, strong substrate surface chemical changes are seen during an etching cycle. The nature of this cyclic etching with periodic deposition of thin FC films differs significantly from conventional etching with steady-state FC layers since surface conditions change strongly throughout each cycle.
Dust transportation in bounday layers on complex areas

NASA Astrophysics Data System (ADS)

Karelsky, Kirill; Petrosyan, Arakel

2017-04-01

This presentation is aimed at creating and realization of new physical model of impurity transfer (solid particles and heavy gases) in areas with non-flat and/or nonstationary boundaries. The main idea of suggested method is to use non-viscous equations for solid particles transport modeling in the vicinity of complex boundary. In viscous atmosphere with as small as one likes coefficient of molecular viscosity, the non-slip boundary condition on solid surface must be observed. This postulates the reduction of velocity to zero at a solid surface. It is unconditionally in this case Prandtle hypothesis must be observed: for rather wide range of conditions in the surface neighboring layers energy dissipation of atmosphere flows is comparable by magnitude with manifestation of inertia forces. That is why according to Prandtle hypothesis in atmosphere movement characterizing by a high Reynolds number the boundary layer is forming near a planet surface, within which the required transition from zero velocities at the surface to magnitudes at the external boundary of the layer that are quite close to ones in ideal atmosphere flow. In that layer fast velocity gradients cause viscous effects to be comparable in magnitude with inertia forces influence. For conditions considered essential changes of hydrodynamic fields near solid boundary caused not only by nonslip condition but also by a various relief of surface: mountains, street canyons, individual buildings. Transport of solid particles, their ascent and precipitation also result in dramatic changes of meteorological fields. As dynamic processes of solid particles transfer accompanying the flow past of complex relief surface by wind flows is of our main interest we are to use equations of non-viscous hydrodynamic. We should put up with on the one hand idea of high wind gradients in the boundary layer and on the other hand disregard of molecular viscosity in two-phase atmosphere equations. We deal with describing high field gradients with the aid of scheme viscosity of numerical algorithm used to model near-surface phenomena. This idea is implemented in the model of ideal gas equations with variable equation of state describing particulates transportation within boundary layer with obstacles.
Variable spreading layer in 4U 1608-52 during thermonuclear X-ray bursts in the soft state

NASA Astrophysics Data System (ADS)

Kajava, J. J. E.; Koljonen, K. I. I.; Nättilä, J.; Suleimanov, V.; Poutanen, J.

2017-11-01

Thermonuclear (type-I) X-ray bursts, observed from neutron star (NS) low-mass X-ray binaries (LMXB), provide constraints on NS masses and radii and consequently the equation of state of NS cores. In such analyses, various assumptions are made without knowing if they are justified. We have analysed X-ray burst spectra from the LMXB 4U 1608-52, with the aim of studying how the different persistent emission components react to the bursts. During some bursts in the soft spectral state we find that there are two variable components: one corresponding to the burst blackbody component and another optically thick Comptonized component. We interpret the latter as the spreading layer between the NS surface and the accretion disc, which is not present during the hard-state bursts. We propose that the spectral changes during the soft-state bursts are driven by the spreading layer that could cover almost the entire NS in the brightest phases due to the enhanced radiation pressure support provided by the burst, and that the layer subsequently returns to its original state during the burst decay. When deriving the NS mass and radius using the soft-state bursts two assumptions are therefore not met: the NS is not entirely visible and the burst emission is reprocessed in the spreading layer, causing distortions of the emitted spectrum. For these reasons, the NS mass and radius constraints using the soft-state bursts are different compared to the ones derived using the hard-state bursts.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Meisner, Ludmila, E-mail: llm@ispms.tsc.ru; Meisner, Stanislav, E-mail: msn@ispms.tsc.ru; Mironov, Yurii, E-mail: myp@ispms.tsc.ru

The paper considers the effects arising on X-ray diffraction patterns taken in different diffraction geometries and how these effects can be interpreted to judge structural states in NiTi near-surface regions after electron and ion beam treatment. It is shown that qualitative and quantitative analysis of phase composition, lattice parameters of main phases, elastic stress states, and their in-depth variation requires X-ray diffraction patterns in both symmetric Bragg–Brentano and asymmetric Lambot–Vassamilleta geometries with variation in X-ray wavelengths and imaging conditions (with and with no β-filter). These techniques of structural phase analysis are more efficient when the thickness of modified NiTi surfacemore » layers is 1–10 μm (after electron beam treatment) and requires special imaging conditions when the thickness of modified NiTi surface layers is no greater than 1 μm (after ion beam treatment)« less
Capillary Flow Layer-by-Layer: A Microfluidic Platform for the High-Throughput Assembly and Screening of Nanolayered Film Libraries

PubMed Central

2015-01-01

Layer-by-layer (LbL) assembly is a powerful tool with increasing real world applications in energy, biomaterials, active surfaces, and membranes; however, the current state of the art requires individual sample construction using large quantities of material. Here we describe a technique using capillary flow within a microfluidic device to drive high-throughput assembly of LbL film libraries. This capillary flow layer-by-layer (CF-LbL) method significantly reduces material waste, improves quality control, and expands the potential applications of LbL into new research spaces. The method can be operated as a simple lab benchtop apparatus or combined with liquid-handling robotics to extend the library size. Here we describe and demonstrate the technique and establish its ability to recreate and expand on the known literature for film growth and morphology. We use the same platform to assay biological properties such as cell adhesion and proliferation and ultimately provide an example of the use of this approach to identify LbL films for surface-based DNA transfection of commonly used cell types. PMID:24836460
Structure and nano-mechanical characteristics of surface oxide layers on a metallic glass.

PubMed

Caron, A; Qin, C L; Gu, L; González, S; Shluger, A; Fecht, H-J; Louzguine-Luzgin, D V; Inoue, A

2011-03-04

Owing to their low elastic moduli, high specific strength and excellent processing characteristics in the undercooled liquid state, metallic glasses are promising materials for applications in micromechanical systems. With miniaturization of metallic mechanical components down to the micrometer scale, the importance of a native oxide layer on a glass surface is increasing. In this work we use TEM and XPS to characterize the structure and properties of the native oxide layer grown on Ni(62)Nb(38) metallic glass and their evolution after annealing in air. The thickness of the oxide layer almost doubled after annealing. In both cases the oxide layer is amorphous and consists predominantly of Nb oxide. We investigate the friction behavior at low loads and in ambient conditions (i.e. at T = 295 K and 60% air humidity) of both as-cast and annealed samples by friction force microscopy. After annealing the friction coefficient is found to have significantly increased. We attribute this effect to the increase of the mechanical stability of the oxide layer upon annealing.
FAST TRACK COMMUNICATION: Graphene based quantum dots

NASA Astrophysics Data System (ADS)

Zhang, H. G.; Hu, H.; Pan, Y.; Mao, J. H.; Gao, M.; Guo, H. M.; Du, S. X.; Greber, T.; Gao, H.-J.

2010-08-01

Laterally localized electronic states are identified on a single layer of graphene on ruthenium by low temperature scanning tunneling spectroscopy (STS). The individual states are separated by 3 nm and comprise regions of about 90 carbon atoms. This constitutes a highly regular quantum dot-array with molecular precision. It is evidenced by quantum well resonances (QWRs) with energies that relate to the corrugation of the graphene layer. The dI/dV conductance spectra are modeled by a layer height dependent potential-well with a delta-function potential that describes the barrier for electron penetration into graphene. The resulting QWRs are strongest and lowest in energy on the isolated 'hill' regions with a diameter of 2 nm, where the graphene is decoupled from the surface.
Graphene based quantum dots.

PubMed

Zhang, H G; Hu, H; Pan, Y; Mao, J H; Gao, M; Guo, H M; Du, S X; Greber, T; Gao, H-J

2010-08-04

Laterally localized electronic states are identified on a single layer of graphene on ruthenium by low temperature scanning tunneling spectroscopy (STS). The individual states are separated by 3 nm and comprise regions of about 90 carbon atoms. This constitutes a highly regular quantum dot-array with molecular precision. It is evidenced by quantum well resonances (QWRs) with energies that relate to the corrugation of the graphene layer. The dI/dV conductance spectra are modeled by a layer height dependent potential-well with a delta-function potential that describes the barrier for electron penetration into graphene. The resulting QWRs are strongest and lowest in energy on the isolated 'hill' regions with a diameter of 2 nm, where the graphene is decoupled from the surface.
The impact of conventional surface data upon VAS regression retrievals in the lower troposphere

NASA Technical Reports Server (NTRS)

Lee, T. H.; Chesters, D.; Mostek, A.

1983-01-01

Surface temperature and dewpoint reports are added to the infrared radiances from the VISSR Atmospheric Sounder (VAS) in order to improve the retrieval of temperature and moisture profiles in the lower troposphere. The conventional (airways) surface data are combined with the twelve VAS channels as additional predictors in a ridge regression retrieval scheme, with the aim of using all available data to make high resolution space-time interpolations of the radiosonde network. For one day of VAS observations, retrievals using only VAS radiances are compared with retrievals using VAS radiances plus surface data. Temperature retrieval accuracy evaluated at coincident radiosonde sites shows a significant impact within the boundary layer. Dewpoint retrieval accuracy shows a broader improvement within the lowest tropospheric layers. The most dramatic impact of surface data is observed in the improved relative spatial and temporal continuity of low-level fields retrieved over the Midwestern United States.
Identification of the spatial location of deep trap states in AlGaN/GaN heterostructures by surface photovoltage spectroscopy

NASA Astrophysics Data System (ADS)

Jana, Dipankar; Porwal, S.; Sharma, T. K.

2017-12-01

Spatial and spectral origin of deep level defects in molecular beam epitaxy grown AlGaN/GaN heterostructures are investigated by using surface photovoltage spectroscopy (SPS) and pump-probe SPS techniques. A deep trap center ∼1 eV above the valence band is observed in SPS measurements which is correlated with the yellow luminescence feature in GaN. Capture of electrons and holes is resolved by performing temperature dependent SPS and pump-probe SPS measurements. It is found that the deep trap states are distributed throughout the sample while their dominance in SPS spectra depends on the density, occupation probability of deep trap states and the background electron density of GaN channel layer. Dynamics of deep trap states associated with GaN channel layer is investigated by performing frequency dependent photoluminescence (PL) and SPS measurements. A time constant of few millisecond is estimated for the deep defects which might limit the dynamic performance of AlGaN/GaN based devices.
Relationships between surface coverage ratio and powder mechanics of binary adhesive mixtures for dry powder inhalers.

PubMed

Rudén, Jonas; Frenning, Göran; Bramer, Tobias; Thalberg, Kyrre; Alderborn, Göran

2018-04-25

The aim of this paper was to study relationships between the content of fine particles and the powder mechanics of binary adhesive mixtures and link these relationships to the blend state. Mixtures with increasing amounts of fine particles (increasing surface coverage ratios (SCR)) were prepared using Lactopress SD as carrier and micro particles of lactose as fines (2.7 µm). Indicators of unsettled bulk density, compressibility and flowability were derived and the blend state was visually examined by imaging. The powder properties studied showed relationships to the SCR characterised by stages. At low SCR, the fine particles predominantly gathered in cavities of the carriers, giving increased bulk density and unchanged or improved flow. Thereafter, increased SCR gave a deposition of particles at the enveloped carrier surface with a gradually more irregular adhesion layer leading to a reduced bulk density and a step-wise reduced flowability. The mechanics of the mixtures at a certain stage were dependent on the structure and the dynamics of the adhesion layer and transitions between the stages were controlled by the evolution of the adhesion layer. It is advisable to use techniques based on different types of flow in order to comprehensively study the mechanics of adhesive mixtures. Copyright © 2018 Elsevier B.V. All rights reserved.
Energy transfer and photochemistry on a metal surface: Mo(CO)/sub 6/ on Rh(100)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Germer, T.A.; Ho, W.

1989-05-01

The occurrence of photoinduced reactions on solid surfaces depends on the relative rates between the excited-state decomposition and the energy transfer to the surface. In this study, the photodecomposition of Mo(CO)/sub 6/ on Rh(100) at 90 K by 325-nm UV irradiation has been studied as a function of coverage and surface preparation using thermal desorption spectroscopy, electron energy-loss spectroscopy, and photoinduced desorption spectroscopy. It is found that Mo(CO)/sub 6/ adsorbs dissociatively on Rh(100) into carbonyl fragments and CO in the first monolayer and molecularly in multilayers. Photoinduced desorption of CO is observed for the multilayers adsorbed onto the dissociated firstmore » layer via a nonthermal electronic excitation of adsorbed metal carbonyls. The presence of the metal surface prevents complete decarbonylation as in the gas phase; deexcitation of electronically excited carbonyls is not sufficiently fast to quench all the observed photochemistry. It is also found that Mo(CO)/sub 6/ adsorbs molecularly on a presaturated CO ordered overlayer on Rh(100) and undergoes photodissociation to a greater degree than on the dissociated and disordered surface of carbonyl fragments. The ordered CO layer effectively screens the interaction between the molecular carbonyls and the Rh(100) layer surface.« less
Improved performance of Mg-Y alloy thin film switchable mirrors after coating with a superhydrophobic surface

NASA Astrophysics Data System (ADS)

La, Mao; Zhou, Huaijuan; Li, Ning; Xin, Yunchuan; Sha, Ren; Bao, Shanhu; Jin, Ping

2017-05-01

The magnesium based switchable mirrors can reversibly change their optical properties between the transparent and the reflective state as a result of hydrogenation and dehydrogenation. These films can potentially be applied as new energy-saving windows, by controlling the transmittance of solar radiation through the regulation of their reflective state. In this study, magnesium-yttrium (Mg-Y) alloy thin films were prepared using a DC magnetron sputtering method. However, the luminous transmittance in the transparent state and the switching durability of switchable mirrors are too poor to satisfy practical demands. In order to improve the films switching durability, luminous transmittance and the surface functionalization, polytetrafluoroethylene (PTFE) was coated with thermal vacuum deposition for use as the top layer of Mg-Y/Pd switchable mirrors. The PTFE layer had a porous network structure and exhibited a superhydrophobic surface with a water contact angle of approximately 152°. By characterization, PTFE thin films shows the excellent protection role against the oxidization of Mg, the switching durability of the films were improved 3 times, and also shows the antireflection role the luminous transmission of films was enhanced by 7% through the top covered with PTFE.
Tuning the ultrafast photodissociation dynamics of CH3Br on ultrathin MgO films by reducing the layer thickness to the 2D limit

NASA Astrophysics Data System (ADS)

Vaida, Mihai E.; Bernhardt, Thorsten M.

2017-11-01

The femtosecond-laser induced photodissociation of CH3Br adsorbed at sub-monolayer coverage on a solid surface was investigated by time-resolved pump-probe mass spectrometry. To tune the interaction of the CH3Br molecules with the substrate, an Mo(1 0 0) surface was covered with ultrathin insulating MgO layers of variable thickness. By gradually decreasing the magnesia layer thickness to the 2D limit the photodissociation dynamics observed by detection of the methyl fragment indicates an energetic lowering of the relevant methyl bromide excited states due to the increasing spatial proximity of the metallic support. Potential orientational effects of the methyl bromide adsorption geometry are also considered.
Magnetic second-order topological insulators and semimetals

NASA Astrophysics Data System (ADS)

Ezawa, Motohiko

2018-04-01

We propose magnetic second-order topological insulators (SOTIs). First, we study a three-dimensional model. It is pointed out that the previously proposed topological hinge insulator has actually surface states along the [001] direction in addition to hinge states. We gap out these surface states by introducing magnetization, obtaining a SOTI only with hinge states. The bulk topological number is the Z2 index protected by the combined symmetry of the fourfold rotation and the inversion symmetry. We next study two-dimensional magnetic SOTIs, where the corner states are robust also in the presence of the magnetization. Finally, we construct a magnetic second-order topological semimetal by layering the two-dimensional magnetic SOTIs, where hinge-arc states are robust also in the presence of the magnetization.
Effect of therapeutic concentration of lithium on live HEK293 cells; increase of Na+/K+-ATPase, change of overall protein composition and alteration of surface layer of plasma membrane.

PubMed

Vosahlikova, Miroslava; Ujcikova, Hana; Chernyavskiy, Oleksandr; Brejchova, Jana; Roubalova, Lenka; Alda, Martin; Svoboda, Petr

2017-05-01

The effect of long-term exposure of live cells to lithium cations (Li) was studied in HEK293 cells cultivated in the presence of 1mM LiCl for 7 or 21days. The alteration of Na + /K + -ATPase level, protein composition and biophysical state of plasma membrane was determined with the aim to characterize the physiological state of Li-treated cells. Na + /K + -ATPase level was determined by [ 3 H]ouabain binding and immunoblot assays. Overall protein composition was determined by 2D electrophoresis followed by proteomic analysis by MALDI-TOF MS/MS and LFQ. Li interaction with plasma membrane was characterized by fluorescent probes DPH, TMA-DPH and Laurdan. Na + /K + -ATPase was increased in plasma membranes isolated from cells exposed to Li. Identification of Li-altered proteins by 2D electrophoresis, MALDI-TOF MS/MS and LFQ suggests a change of energy metabolism in mitochondria and cytosol and alteration of cell homeostasis of calcium. Measurement of Laurdan generalized polarization indicated a significant alteration of surface layer of isolated plasma membranes prepared from both types of Li-treated cells. Prolonged exposure of HEK293 cells to 1mM LiCl results in up-regulation of Na + /K + -ATPase expression, reorganization of overall cellular metabolism and alteration of the surface layer/polar head-group region of isolated plasma membranes. Our findings demonstrate adaptation of live HEK293 cell metabolism to prolonged exposure to therapeutic concentration of Li manifested as up-regulation of Na + /K + -ATPase expression, alteration of protein composition and change of the surface layer of plasma membrane. Copyright © 2017 Elsevier B.V. All rights reserved.

Numerical study of terrain-induced mesoscale motions and hydrostatic form drag in a heated, growing mixed layer

NASA Technical Reports Server (NTRS)

Deardorff, J. W.; Ueyoshi, K.; Han, Y.-J.

1984-01-01

Han et al. (1982) have found in a previous numerical study of terrain-induced mesoscale motions that the orography caused a steady-state flow pattern to occur. The study was concerned with a simplified case in which no surface heating occurred. The present investigation considers an extension of this study to the more realistic case of a heated, growing daytime mixed layer containing horizontal variations of potential temperature as well as velocity. The model is also extended to include three layers above the mixed layer. It is found for a heated, growing mixed layer, that the mesoscale form drag is a thermal-anomaly or buoyancy effect associated with horizontal variations of potential temperature within the layer.
Atomic-scale observation of structural and electronic orders in the layered compound α-RuCl3

PubMed Central

Ziatdinov, M.; Banerjee, A.; Maksov, A.; Berlijn, T.; Zhou, W.; Cao, H. B.; Yan, J.-Q.; Bridges, C. A.; Mandrus, D. G.; Nagler, S. E.; Baddorf, A. P.; Kalinin, S. V.

2016-01-01

A pseudospin-1/2 Mott phase on a honeycomb lattice is proposed to host the celebrated two-dimensional Kitaev model which has an elusive quantum spin liquid ground state, and fascinating physics relevant to the development of future templates towards topological quantum bits. Here we report a comprehensive, atomically resolved real-space study by scanning transmission electron and scanning tunnelling microscopies on a novel layered material displaying Kitaev physics, α-RuCl3. Our local crystallography analysis reveals considerable variations in the geometry of the ligand sublattice in thin films of α-RuCl3 that opens a way to realization of a spatially inhomogeneous magnetic ground state at the nanometre length scale. Using scanning tunnelling techniques, we observe the electronic energy gap of ≈0.25 eV and intra-unit cell symmetry breaking of charge distribution in individual α-RuCl3 surface layer. The corresponding charge-ordered pattern has a fine structure associated with two different types of charge disproportionation at Cl-terminated surface. PMID:27941761
Atomic-scale observation of structural and electronic orders in the layered compound α-RuCl3.

PubMed

Ziatdinov, M; Banerjee, A; Maksov, A; Berlijn, T; Zhou, W; Cao, H B; Yan, J-Q; Bridges, C A; Mandrus, D G; Nagler, S E; Baddorf, A P; Kalinin, S V

2016-12-12

A pseudospin-1/2 Mott phase on a honeycomb lattice is proposed to host the celebrated two-dimensional Kitaev model which has an elusive quantum spin liquid ground state, and fascinating physics relevant to the development of future templates towards topological quantum bits. Here we report a comprehensive, atomically resolved real-space study by scanning transmission electron and scanning tunnelling microscopies on a novel layered material displaying Kitaev physics, α-RuCl 3 . Our local crystallography analysis reveals considerable variations in the geometry of the ligand sublattice in thin films of α-RuCl 3 that opens a way to realization of a spatially inhomogeneous magnetic ground state at the nanometre length scale. Using scanning tunnelling techniques, we observe the electronic energy gap of ≈0.25 eV and intra-unit cell symmetry breaking of charge distribution in individual α-RuCl 3 surface layer. The corresponding charge-ordered pattern has a fine structure associated with two different types of charge disproportionation at Cl-terminated surface.
Application of solid-phase extraction to agar-supported fermentation.

PubMed

Le Goff, Géraldine; Adelin, Emilie; Cortial, Sylvie; Servy, Claudine; Ouazzani, Jamal

2013-09-01

Agar-supported fermentation (Ag-SF), a variant of solid-state fermentation, has recently been improved by the development of a dedicated 2 m(2) scale pilot facility, Platotex. We investigated the application of solid-phase extraction (SPE) to Ag-SF in order to increase yields and minimize the contamination of the extracts with agar constituents. The selection of the appropriate resin was conducted on liquid-state fermentation and Diaion HP-20 exhibited the highest recovery yield and selectivity for the metabolites of the model fungal strains Phomopsis sp. and Fusarium sp. SPE applied to Ag-SF resulted in a particular compartmentalization of the culture. The mycelium that requires oxygen to grow migrates to the top layer and formed a thick biofilm. The resin beads intercalate between the agar surface and the mycelium layer, and trap directly the compounds secreted by the mycelium through a "solid-solid extraction" (SSE) process. The resin/mycelium layer is easily recovered by scraping the surface and the target metabolites extracted by methanol. Ag-SF associated to SSE represents an ideal compromise for the production of bioactive secondary metabolites with limited economic and environmental impact.
Atomic-scale observation of structural and electronic orders in the layered compound α-RuCl 3

DOE PAGES

Ziatdinov, Maxim A.; Banerjee, Arnab; Maksov, Artem B.; ...

2016-12-12

A pseudospin-1/2 Mott phase on a honeycomb lattice is proposed to host the celebrated two-dimensional Kitaev model which has an elusive quantum spin liquid ground state, and fascinating physics relevant to the development of future templates towards topological quantum bits. Here we report a comprehensive, atomically resolved real-space study by scanning transmission electron and scanning tunnelling microscopies on a novel layered material displaying Kitaev physics, -RuCl3. Our local crystallography analysis reveals considerable variations in the geometry of the ligand sublattice in thin films of -RuCl3 that opens a way to realization of a spatially inhomogeneous magnetic ground state at themore » nanometre length scale. Using scanning tunnelling techniques, we observe the electronic energy gap of 0.25 eV and intra-unit cell symmetry breaking of charge distribution in individual -RuCl3 surface layer. The corresponding charge-ordered pattern has a fine structure associated with two different types of charge disproportionation at Cl-terminated surface.« less
Topological Electride Y2C.

PubMed

Huang, Huaqing; Jin, Kyung-Hwan; Zhang, Shunhong; Liu, Feng

2018-03-14

Two-dimensional (2D) electrides are layered ionic crystals in which anionic electrons are confined in the interlayer space. Here, we report a discovery of nontrivial [Formula: see text] topology in the electronic structures of 2D electride Y 2 C. Based on first-principles calculations, we found a topological [Formula: see text] invariant of (1; 111) for the bulk band and topologically protected surface states in the surfaces of Y 2 C, signifying its nontrivial electronic topology. We suggest a spin-resolved angle-resolved photoemission spectroscopy (ARPES) measurement to detect the unique helical spin texture of the spin-polarized topological surface state, which will provide characteristic evidence for the nontrivial electronic topology of Y 2 C. Furthermore, the coexistence of 2D surface electride states and topological surface state enables us to explain the outstanding discrepancy between the recent ARPES experiments and theoretical calculations. Our findings establish a preliminary link between the electride in chemistry and the band topology in condensed-matter physics, which are expected to inspire further interdisciplinary research between these fields.
Post-Treatment-Free Solution-Processed Reduced Phosphomolybdic Acid Containing Molybdenum Oxide Units for Efficient Hole-Injection Layers in Organic Light-Emitting Devices.

PubMed

Ohisa, Satoru; Endo, Kohei; Kasuga, Kosuke; Suzuki, Michinori; Chiba, Takayuki; Pu, Yong-Jin; Kido, Junji

2018-02-19

We report the development of solution-processed reduced phosphomolybdic acid (rPMA) containing molybdenum oxide units for post-treatment-free hole-injection layers (HILs) in organic light-emitting devices (OLEDs). The physical and chemical properties of rPMA, including its structure, solubility in several solvents, film surface roughness, work function, and valence states, were investigated. The formation of gap states just below the Fermi level of rPMA was observed. Without any post-treatment after the formation of rPMA films, OLEDs employing rPMA as an HIL exhibited a very low driving voltage and a high luminous efficiency. The low driving voltage was attributed to the energy level alignment between the gap states formed by reduction and the HOMO level of the hole-transport layer material N,N'-bis(1-naphthyl)-N,N'-diphenyl-(1,1'-biphenyl)-4,4'-diamine.
Atomic layer deposition of insulating nitride interfacial layers for germanium metal oxide semiconductor field effect transistors with high-κ oxide/tungsten nitride gate stacks

NASA Astrophysics Data System (ADS)

Kim, Kyoung H.; Gordon, Roy G.; Ritenour, Andrew; Antoniadis, Dimitri A.

2007-05-01

Atomic layer deposition (ALD) was used to deposit passivating interfacial nitride layers between Ge and high-κ oxides. High-κ oxides on Ge surfaces passivated by ultrathin (1-2nm) ALD Hf3N4 or AlN layers exhibited well-behaved C-V characteristics with an equivalent oxide thickness as low as 0.8nm, no significant flatband voltage shifts, and midgap density of interface states values of 2×1012cm-1eV-1. Functional n-channel and p-channel Ge field effect transistors with nitride interlayer/high-κ oxide/metal gate stacks are demonstrated.
Spin crossover in Fe(phen)2(NCS)2 complexes on metallic surfaces

NASA Astrophysics Data System (ADS)

Gruber, Manuel; Miyamachi, Toshio; Davesne, Vincent; Bowen, Martin; Boukari, Samy; Wulfhekel, Wulf; Alouani, Mebarek; Beaurepaire, Eric

2017-03-01

In this review, we give an overview on the spin crossover of Fe(phen)2(NCS)2 complexes adsorbed on Cu(100), Cu2N/Cu(100), Cu(111), Co/Cu(111), Co(100), Au(100), and Au(111) surfaces. Depending on the strength of the interaction of the molecules with the substrates, the spin crossover behavior can be drastically changed. Molecules in direct contact with non-magnetic metallic surfaces coexist in both the high- and low-spin states but cannot be switched between the two. Our analysis shows that this is due to a strong interaction with the substrate in the form of a chemisorption that dictates the spin state of the molecules through its adsorption geometry. Upon reducing the interaction to the surface either by adding a second molecular layer or inserting an insulating thin film of Cu2N, the spin crossover behavior is restored and molecules can be switched between the two states with the help of scanning tunneling microscopy. Especially on Cu2N, the two states of single molecules are stable at low temperature and thus allow the realization of a molecular memory. Similarly, the molecules decoupled from metallic substrates in the second or higher layers display thermally driven spin crossover as has been revealed by X-ray absorption spectroscopy. Finally, we discuss the situation when the complex is brought into contact with a ferromagnetic substrate. This leads to a strong exchange coupling between the Fe spin in the high-spin state and the magnetization of the substrate as deduced from spin-polarized scanning tunneling spectroscopy and ab initio calculation.
Solar cell modules with improved backskin and methods for forming same

DOEpatents

Hanoka, Jack I.

1998-04-21

A laminated solar cell module with a backskin layer that reduces the materials and labor required during the manufacturing process. The solar cell module includes a rigid front support layer formed of light transmitting material having first and second surfaces. A transparent encapsulant layer has a first surface disposed adjacent the second surface of the front support layer. A plurality of interconnected solar cells have a first surface disposed adjacent a second surface of the transparent encapsulant layer. The backskin layer is formed of a thermoplastic olefin, which includes first ionomer, a second ionomer, glass fiber, and carbon black. A first surface of the backskin layer is disposed adjacent a second surface of the interconnected solar cells. The transparent encapsulant layer and the backskin layer, in combination, encapsulate the interconnected solar cells. An end portion of the backskin layer can be wrapped around the edge of the module for contacting the first surface of the front support layer to form an edge seal. A laminated solar cell module with a backskin layer that reduces the materials and labor required during the manufacturing process. The solar cell module includes a rigid front support layer formed of light transmitting material having first and second surfaces. A transparent encapsulant layer has a first surface disposed adjacent the second surface of the front support layer. A plurality of interconnected solar cells have a first surface disposed adjacent a second surface of the transparent encapsulant layer. The backskin layer is formed of a thermoplastic olefin, which includes first ionomer, a second ionomer, glass fiber, and carbon black. A first surface of the backskin layer is disposed adjacent a second surface of the interconnected solar cells. The transparent encapsulant layer and the backskin layer, in combination, encapsulate the interconnected solar cells. An end portion of the backskin layer can be wrapped around the edge of the module for contacting the first surface of the front support layer to form an edge seal.
A complex guided spectral transform Lanczos method for studying quantum resonance states

DOE PAGES

Yu, Hua-Gen

2014-12-28

A complex guided spectral transform Lanczos (cGSTL) algorithm is proposed to compute both bound and resonance states including energies, widths and wavefunctions. The algorithm comprises of two layers of complex-symmetric Lanczos iterations. A short inner layer iteration produces a set of complex formally orthogonal Lanczos (cFOL) polynomials. They are used to span the guided spectral transform function determined by a retarded Green operator. An outer layer iteration is then carried out with the transform function to compute the eigen-pairs of the system. The guided spectral transform function is designed to have the same wavefunctions as the eigenstates of the originalmore » Hamiltonian in the spectral range of interest. Therefore the energies and/or widths of bound or resonance states can be easily computed with their wavefunctions or by using a root-searching method from the guided spectral transform surface. The new cGSTL algorithm is applied to bound and resonance states of HO₂, and compared to previous calculations.« less
Photoemission studies of amorphous silicon induced by P + ion implantation

NASA Astrophysics Data System (ADS)

Petö, G.; Kanski, J.

1995-12-01

An amorphous Si layer was formed on a Si (1 0 0) surface by P + implantation at 80 keV. This layer was investigated by means of photoelectron spectroscopy. The resulting spectra are different from earlier spectra on amorphous Si prepared by e-gun evaporation or cathode sputtering. The differences consist of a decreased intensity in the spectral region corresponding to p-states, and appearace of new states at higher binding energy. Qualitativity similar results have been reported for Sb implanted amorphous Ge and the modification seems to be due to the changed short range order.
Probing semiconductor gap states with resonant tunneling.

PubMed

Loth, S; Wenderoth, M; Winking, L; Ulbrich, R G; Malzer, S; Döhler, G H

2006-02-17

Tunneling transport through the depletion layer under a GaAs {110} surface is studied with a low temperature scanning tunneling microscope (STM). The observed negative differential conductivity is due to a resonant enhancement of the tunneling probability through the depletion layer mediated by individual shallow acceptors. The STM experiment probes, for appropriate bias voltages, evanescent states in the GaAs band gap. Energetically and spatially resolved spectra show that the pronounced anisotropic contrast pattern of shallow acceptors occurs exclusively for this specific transport channel. Our findings suggest that the complex band structure causes the observed anisotropies connected with the zinc blende symmetry.
Induced superconductivity in the three-dimensional topological insulator HgTe.

PubMed

Maier, Luis; Oostinga, Jeroen B; Knott, Daniel; Brüne, Christoph; Virtanen, Pauli; Tkachov, Grigory; Hankiewicz, Ewelina M; Gould, Charles; Buhmann, Hartmut; Molenkamp, Laurens W

2012-11-02

A strained and undoped HgTe layer is a three-dimensional topological insulator, in which electronic transport occurs dominantly through its surface states. In this Letter, we present transport measurements on HgTe-based Josephson junctions with Nb as a superconductor. Although the Nb-HgTe interfaces have a low transparency, we observe a strong zero-bias anomaly in the differential resistance measurements. This anomaly originates from proximity-induced superconductivity in the HgTe surface states. In the most transparent junction, we observe periodic oscillations of the differential resistance as a function of an applied magnetic field, which correspond to a Fraunhofer-like pattern. This unambiguously shows that a precursor of the Josephson effect occurs in the topological surface states of HgTe.
2011 Dynamics at Surfaces Gordon Research Conference (August 7-12, 2011, Salve Regina University, Newport, Rhode Island)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Greg Sitz

2011-08-12

The 2011 Gordon Conference on Dynamics at Surfaces is the 32nd anniversary of a meeting held every two years that is attended by leading researchers in the area of experimental and theoretical dynamics at liquid and solid surfaces. The conference focuses on the dynamics of the interaction of molecules with either liquid or solid surfaces, the dynamics of the outermost layer of liquid and solid surfaces and the dynamics at the liquid-solid interface. Specific topics that are featured include state-to-state scattering dynamics, chemical reaction dynamics, non-adiabatic effects in reactive and inelastic scattering of molecules from surfaces, single molecule dynamics atmore » surfaces, surface photochemistry, ultrafast dynamics at surfaces, and dynamics at water interfaces. The conference brings together investigators from a variety of scientific disciplines including chemistry, physics, materials science, geology, biophysics, and astronomy.« less
Wetting transition on patterned surfaces: transition states and energy barriers.

PubMed

Ren, Weiqing

2014-03-18

We study the wetting transition on microstructured hydrophobic surfaces. We use the string method [J. Chem. Phys. 2007, 126, 164103; J. Chem. Phys. 2013, 138, 134105] to accurately compute the transition states, the energy barriers, and the minimum energy paths for the wetting transition from the Cassie-Baxter state to the Wenzel state. Numerical results are obtained for the wetting of a hydrophobic surface textured with a square lattice of pillars. It is found that the wetting of the solid substrate occurs via infiltration of the liquid in a single groove, followed by lateral propagation of the liquid front. The propagation of the liquid front proceeds in a stepwise manner, and a zipping mechanism is observed during the infiltration of each layer. The minimum energy path for the wetting transition goes through a sequence of intermediate metastable states, whose wetted areas reflect the microstructure of the patterned surface. We also study the dependence of the energy barrier on the drop size and the gap between the pillars.
Atomistic simulations of cation hydration in sodium and calcium montmorillonite nanopores

NASA Astrophysics Data System (ADS)

Yang, Guomin; Neretnieks, Ivars; Holmboe, Michael

2017-08-01

During the last four decades, numerous studies have been directed to the swelling smectite-rich clays in the context of high-level radioactive waste applications and waste-liners for contaminated sites. The swelling properties of clay mineral particles arise due to hydration of the interlayer cations and the diffuse double layers formed near the negatively charged montmorillonite (MMT) surfaces. To accurately study the cation hydration in the interlayer nanopores of MMT, solvent-solute and solvent-clay surface interactions (i.e., the solvation effects and the shape effects) on the atomic level should be taken into account, in contrast to many recent electric double layer based methodologies using continuum models. Therefore, in this research we employed fully atomistic simulations using classical molecular dynamics (MD) simulations, the software package GROMACS along with the CLAYFF forcefield and the SPC/E water model. We present the ion distributions and the deformation of the hydrated coordination structures, i.e., the hydration shells of Na+ and Ca2+ in the interlayer, respectively, for MMT in the first-layer, the second-layer, the third-layer, the fourth-layer, and the fifth-layer (1W, 2W, 3W, 4W, and 5W) hydrate states. Our MD simulations show that Na+ in Na-MMT nanopores have an affinity to the ditrigonal cavities of the clay layers and form transient inner-sphere complexes at about 3.8 Å from clay midplane at water contents less than the 5W hydration state. However, these phenomena are not observed in Ca-MMT regardless of swelling states. For Na-MMT, each Na+ is coordinated to four water molecules and one oxygen atom of the clay basal-plane in the first hydration shell at the 1W hydration state, and with five to six water molecules in the first hydration shell within a radius of 3.1 Å at all higher water contents. In Ca-MMT, however each Ca2+ is coordinated to approximately seven water molecules in the first hydration shell at the 1W hydration state and about eight water molecules in the first hydration shell within a radius of 3.3 Å at all higher hydration states. Moreover, the MD results show that the complete hydration shells are nearly spherical with an orthogonal coordination sphere. They could only be formed when the basal spacing d001 ≥ 18.7 Å, i.e., approximately, the interlayer separation h ≥ 10 Å. Comparison between DFT and MD simulations shows that DFT failed to reproduce the outer-sphere complexes in the Stern-layer (within ˜5.0 Å from the clay basal-plane), observed in the MD simulations.
Analysis of Nb 3Sn surface layers for superconducting radio frequency cavity applications

DOE PAGES

Becker, Chaoyue; Posen, Sam; Groll, Nickolas; ...

2015-02-23

Here, we present an analysis of Nb 3Sn surface layers grown on a bulk Nb coupon prepared at the same time and by the same vapor diffusion process used to make Nb 3Sn coatings on 1.3 GHz Nb cavities. Tunneling spectroscopy reveal a well developed, homogeneous superconducting density of states at the surface with a gap value distribution centered around 2.7 ± 0.4 meV and superconducting critical temperature's (T c) up to 16.3K. Transmission electron microscopy (TEM) performed on cross sections of the sample's surface shows a ~ 2 microns thick Nb 3Sn surface layer. The elemental composition map exhibitsmore » a Nb:Sn ratio of 3:1 with buried substoichiometric regions with a ratio of 5:1. Synchrotron diffraction experiments indicate a polycrystalline Nb 3Sn film and confirm the presence of Nb rich regions that occupies about a third of the coating volume. These low T c regions could play an important role in the dissipation mechanisms occurring during RF tests of Nb 3Sn -coated Nb cavities and open the way for further improving a very promising alternative to pure Nb cavities for particle accelerators.« less
Determination of stoichiometry and concentration of trace elements in thin BaxSr1-xTiO3 perovskite layers.

PubMed

Becker, J S; Boulyga, S F

2001-07-01

This paper describes an analytical procedure for determining the stoichiometry of BaxSr1-xTiO3 perovskite layers using inductively coupled plasma mass spectrometry (ICP-MS). The analytical results of mass spectrometry measurements are compared to those of X-ray fluorescence analysis (XRF). The performance and the limits of solid-state mass spectrometry analytical methods for the surface analysis of thin BaxSr1-xTiO3 perovskite layers sputtered neutral mass spectrometry (SNMS)--are investigated and discussed.
Super-hydrophobic multilayer coatings with layer number tuned swapping in surface wettability and redox catalytic anti-corrosion application.

PubMed

Syed, Junaid Ali; Tang, Shaochun; Meng, Xiangkang

2017-06-30

The wetting characteristic of a metal surface can be controlled by employing different coating materials and external stimuli, however, layer number (n) modulated surface swapping between hydrophobicity and hydrophilicity in a multilayer structure to achieve prolonged anti-corrosion ability was not taken into consideration. In this study, we proposed a layer-by-layer (LbL) spin assembled polyaniline-silica composite/tetramethylsilane functionalized silica nanoparticles (PSC/TMS-SiO 2 ) coating with the combined effect of super-hydrophobicity and enhanced anti-corrosion ability. Interestingly, the hierarchical integration of two coating materials with inherently different surface roughness and energy in a multilayer structure allows the wetting feature to swap from hydrophobic to hydrophilic state by modulating n with decreasing hydrophilicity. The samples with odd n (TMS-SiO 2 surface) are hydrophobic while the samples with even n (PSC surface) exhibits the hydrophilic character. The TMS-SiO 2 content was optimized to achieve super-hydrophobic coating with significantly high water contact angle (CA) 153° ± 2° and small sliding angle (SA) 6° ± 2°. Beside its self-cleaning behavior, the electro-active PSC/TMS-SiO 2 coating also exhibits remarkably enhanced corrosion resistance against aggressive media. The corrosion resistance of the coating was remained stable even after 240 h of exposure, this enhancement is attributed to super-hydrophobicity and anodic shift in corrosion potential.

Mini-RF and LROC observations of mare crater layering relationships

NASA Astrophysics Data System (ADS)

Stickle, A. M.; Patterson, G. W.; Cahill, J. T. S.; Bussey, D. B. J.

2016-07-01

The lunar maria cover approximately 17% of the Moon's surface. Discerning discrete subsurface layers in the mare provides some constraints on thickness and volume estimates of mare volcanism. Multiple types of data and measurement techniques allow probing the subsurface and provide insights into these layers, including detailed examination of impact craters, mare pits and sinuous rilles, and radar sounders. Unfortunately, radar sounding includes many uncertainties about the material properties of the lunar surface that may influence estimates of layer depth and thickness. Because they distribute material from depth onto the surface, detailed examination of impact ejecta blankets provides a reliable way to examine deeper material using orbital instruments such as cameras, spectrometers, or imaging radars. Here, we utilize Miniature Radio Frequency (Mini-RF) data to investigate the scattering characteristics of ejecta blankets of young lunar craters. We use Circular Polarization Ratio (CPR) information from twenty-two young, fresh lunar craters to examine how the scattering behavior changes as a function of radius from the crater rim. Observations across a range of crater size and relative ages exhibit significant diversity within mare regions. Five of the examined craters exhibit profiles with no shelf of constant CPR near the crater rim. Comparing these CPR profiles with LROC imagery shows that the magnitude of the CPR may be an indication of crater degradation state; this may manifest differently at radar compared to optical wavelengths. Comparisons of radar and optical data also suggest relationships between subsurface stratigraphy and structure in the mare and the block size of the material found within the ejecta blanket. Of the examined craters, twelve have shelves of approximately constant CPR as well as discrete layers outcropping in the subsurface, and nine fall along a trend line when comparing shelf-width with thickness of subsurface layers. These observations suggest that surface CPR measurements may be used to identify near-surface layering. Here, we use ejected material to probe the subsurface, allowing observations of near-surface stratigraphy that may be otherwise hidden by layers higher from remote observations.
Tunnel barrier schottky

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chu, Rongming; Cao, Yu; Li, Zijian

2018-02-20

A diode includes: a semiconductor substrate; a cathode metal layer contacting a bottom of the substrate; a semiconductor drift layer on the substrate; a graded aluminum gallium nitride (AlGaN) semiconductor barrier layer on the drift layer and having a larger bandgap than the drift layer, the barrier layer having a top surface and a bottom surface between the drift layer and the top surface, the barrier layer having an increasing aluminum composition from the bottom surface to the top surface; and an anode metal layer directly contacting the top surface of the barrier layer.
Surface properties of Mars' polar layered deposits and polar landing sites

USGS Publications Warehouse

Vasavada, Ashwin R.; Williams, Jean-Pierre; Paige, David A.; Herkenhoff, Ken E.; Bridges, Nathan T.; Greeley, Ronald; Murray, Bruce C.; Bass, Deborah S.; McBride, Karen S.

2000-01-01

On December 3, 1999, the Mars Polar Lander and Mars Microprobes will land on the planet's south polar layered deposits near (76°S, 195°W) and conduct the first in situ studies of the planet's polar regions. The scientific goals of these missions address several poorly understood and globally significant issues, such as polar meteorology, the composition and volatile content of the layered deposits, the erosional state and mass balance of their surface, their possible relationship to climate cycles, and the nature of bright and dark aeolian material. Derived thermal inertias of the southern layered deposits are very low (50-100 J m-2 s-1/2 K-1), suggesting that the surface down to a depth of a few centimeters is generally fine grained or porous and free of an appreciable amount of rock or ice. The landing site region is smoother than typical cratered terrain on ∼1 km pixel-1 Viking Orbiter images but contains low-relief texture on ∼5 to 100 m pixel-1 Mariner 9 and Mars Global Surveyor images. The surface of the southern deposits is older than that of the northern deposits and appears to be modified by aeolian erosion or ablation of ground ice.
Measured Boundary Layer Transition and Rotor Hover Performance at Model Scale

NASA Technical Reports Server (NTRS)

Overmeyer, Austin D.; Martin, Preston B.

2017-01-01

An experiment involving a Mach-scaled, 11:08 f t: diameter rotor was performed in hover during the summer of 2016 at NASA Langley Research Center. The experiment investigated the hover performance as a function of the laminar to turbulent transition state of the boundary layer, including both natural and fixed transition cases. The boundary layer transition locations were measured on both the upper and lower aerodynamic surfaces simultaneously. The measurements were enabled by recent advances in infrared sensor sensitivity and stability. The infrared thermography measurement technique was enhanced by a paintable blade surface heater, as well as a new high-sensitivity long wave infrared camera. The measured transition locations showed extensive amounts, x=c>0:90, of laminar flow on the lower surface at moderate to high thrust (CT=s > 0:068) for the full blade radius. The upper surface showed large amounts, x=c > 0:50, of laminar flow at the blade tip for low thrust (CT=s < 0:045). The objective of this paper is to provide an experimental data set for comparisons to newly developed and implemented rotor boundary layer transition models in CFD and rotor design tools. The data is expected to be used as part of the AIAA Rotorcraft SimulationWorking Group
Enhancing of catalytic properties of vanadia via surface doping with phosphorus using atomic layer deposition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Strempel, Verena E.; Naumann d'Alnoncourt, Raoul, E-mail: r.naumann@bascat.tu-berlin.de; Löffler, Daniel

2016-01-15

Atomic layer deposition is mainly used to deposit thin films on flat substrates. Here, the authors deposit a submonolayer of phosphorus on V{sub 2}O{sub 5} in the form of catalyst powder. The goal is to prepare a model catalyst related to the vanadyl pyrophosphate catalyst (VO){sub 2}P{sub 2}O{sub 7} industrially used for the oxidation of n-butane to maleic anhydride. The oxidation state of vanadium in vanadyl pyrophosphate is 4+. In literature, it was shown that the surface of vanadyl pyrophosphate contains V{sup 5+} and is enriched in phosphorus under reaction conditions. On account of this, V{sub 2}O{sub 5} with themore » oxidation state of 5+ for vanadium partially covered with phosphorus can be regarded as a suitable model catalyst. The catalytic performance of the model catalyst prepared via atomic layer deposition was measured and compared to the performance of catalysts prepared via incipient wetness impregnation and the original V{sub 2}O{sub 5} substrate. It could be clearly shown that the dedicated deposition of phosphorus by atomic layer deposition enhances the catalytic performance of V{sub 2}O{sub 5} by suppression of total oxidation reactions, thereby increasing the selectivity to maleic anhydride.« less
Surface thermodynamic stability, electronic and magnetic properties in various (001) surfaces of Zr2CoSn Heusler alloy

NASA Astrophysics Data System (ADS)

Yang, Yan; Feng, Zhong-Ying; Zhang, Jian-Min

2018-05-01

The spin-polarized first-principles are used to study the surface thermodynamic stability, electronic and magnetic properties in various (001) surfaces of Zr2CoSn Heusler alloy, and the bulk Zr2CoSn Heusler alloy are also discussed to make comparison. The conduction band minimum (CBM) of half-metallic (HM) bulk Zr2CoSn alloy is contributed by ZrA, ZrB and Co atoms, while the valence band maximum (VBM) is contributed by ZrB and Co atoms. The SnSn termination is the most stable surface with the highest spin polarizations P = 77.1% among the CoCo, ZrCo, ZrZr, ZrSn and SnSn terminations of the Zr2CoSn (001) surface. In the SnSn termination of the Zr2CoSn (001) surface, the atomic partial density of states (APDOS) of atoms in the surface, subsurface and third layers are much influenced by the surface effect and the total magnetic moment (TMM) is mainly contributed by the atomic magnetic moments of atoms in fourth to ninth layers.
Junction formation of Cu3BiS3 investigated by Kelvin probe force microscopy and surface photovoltage measurements

PubMed Central

Mesa, Fredy; Chamorro, William; Vallejo, William; Baier, Robert; Dittrich, Thomas; Grimm, Alexander; Lux-Steiner, Martha C

2012-01-01

Summary Recently, the compound semiconductor Cu3BiS3 has been demonstrated to have a band gap of ~1.4 eV, well suited for photovoltaic energy harvesting. The preparation of polycrystalline thin films was successfully realized and now the junction formation to the n-type window needs to be developed. We present an investigation of the Cu3BiS3 absorber layer and the junction formation with CdS, ZnS and In2S3 buffer layers. Kelvin probe force microscopy shows the granular structure of the buffer layers with small grains of 20–100 nm, and a considerably smaller work-function distribution for In2S3 compared to that of CdS and ZnS. For In2S3 and CdS buffer layers the KPFM experiments indicate negatively charged Cu3BiS3 grain boundaries resulting from the deposition of the buffer layer. Macroscopic measurements of the surface photovoltage at variable excitation wavelength indicate the influence of defect states below the band gap on charge separation and a surface-defect passivation by the In2S3 buffer layer. Our findings indicate that Cu3BiS3 may become an interesting absorber material for thin-film solar cells; however, for photovoltaic application the band bending at the charge-selective contact has to be increased. PMID:22497001
Junction formation of Cu(3)BiS(3) investigated by Kelvin probe force microscopy and surface photovoltage measurements.

PubMed

Mesa, Fredy; Chamorro, William; Vallejo, William; Baier, Robert; Dittrich, Thomas; Grimm, Alexander; Lux-Steiner, Martha C; Sadewasser, Sascha

2012-01-01

Recently, the compound semiconductor Cu(3)BiS(3) has been demonstrated to have a band gap of ~1.4 eV, well suited for photovoltaic energy harvesting. The preparation of polycrystalline thin films was successfully realized and now the junction formation to the n-type window needs to be developed. We present an investigation of the Cu(3)BiS(3) absorber layer and the junction formation with CdS, ZnS and In(2)S(3) buffer layers. Kelvin probe force microscopy shows the granular structure of the buffer layers with small grains of 20-100 nm, and a considerably smaller work-function distribution for In(2)S(3) compared to that of CdS and ZnS. For In(2)S(3) and CdS buffer layers the KPFM experiments indicate negatively charged Cu(3)BiS(3) grain boundaries resulting from the deposition of the buffer layer. Macroscopic measurements of the surface photovoltage at variable excitation wavelength indicate the influence of defect states below the band gap on charge separation and a surface-defect passivation by the In(2)S(3) buffer layer. Our findings indicate that Cu(3)BiS(3) may become an interesting absorber material for thin-film solar cells; however, for photovoltaic application the band bending at the charge-selective contact has to be increased.
Measurements of the Flowfield Interaction Between Tandem Cylinders

NASA Technical Reports Server (NTRS)

Neuhart, Dan H.; Jenkins, Luther N.; Choudhari, Meelan M.; Khorrami, Mehdi R.

2009-01-01

This paper presents the most recent measurements from an ongoing investigation of the unsteady wake interference between a pair of circular cylinders in tandem. The purpose of this investigation is to help build an in-depth experimental database for this canonical flow configuration that embodies the effects of component interaction in landing gear noise. This new set of measurements augments the previous database at the primary Reynolds number (based on tunnel speed and cylinder diameter) of 1.66 105 in four important respects. First, better circumferential resolution of surface pressure fluctuations is obtained via cylinder "clocking". Second, higher resolution particle image velocimetry measurements of the shear layer separating from the cylinders are achieved. Third, the effects of simultaneous boundary layer trips along both the front and rear cylinders, versus front cylinder alone in the previous measurements, are studied. Lastly, on-surface and off-surface characteristics of unsteady flow near the "critical" cylinder spacing, wherein the flow switches intermittently between two states that are characteristic of lower and higher spacings, are examined. This critical spacing occurs in the middle of a relatively sudden change in the drag of either cylinder and is characterized by a loud intermittent noise and a flow behavior that randomly transitions between shear layer attachment to the rear cylinder and constant shedding and rollup in front of it. Analysis of this bistable flow state reveals much larger spanwise correlation lengths of surface pressure fluctuations than those at larger and smaller values of the cylinder spacing.
Effect of magnetron sputtering parameters and stress state of W film precursors on WSe2 layer texture by rapid selenization.

PubMed

Li, Hongchao; Gao, Di; Xie, Senlin; Zou, Jianpeng

2016-11-04

Tungsten diselenide (WSe 2 ) film was obtained by rapid selenization of magnetron sputtered tungsten (W) film. To prevent WSe 2 film peeling off from the substrate during selenization, the W film was designed with a double-layer structure. The first layer was deposited at a high sputtering-gas pressure to form a loose structure, which can act as a buffer layer to release stresses caused by WSe 2 growth. The second layer was deposited naturally on the first layer to react with selenium vapour in the next step. The effect of the W film deposition parameters(such as sputtering time, sputtering-gas pressure and substrate bias voltage)on the texture and surface morphology of the WSe 2 film was studied. Shortening the sputtering time, increasing the sputtering-gas pressure or decreasing the substrate bias voltage can help synthesize WSe 2 films with more platelets embedded vertically in the matrix. The stress state of the W film influences the WSe 2 film texture. Based on the stress state of the W film, a model for growth of the WSe 2 films with different textures was proposed. The insertion direction of the van der Waals gap is a key factor for the anisotropic formation of WSe 2 film.
Effect of magnetron sputtering parameters and stress state of W film precursors on WSe2 layer texture by rapid selenization

PubMed Central

Li, Hongchao; Gao, Di; Xie, Senlin; Zou, Jianpeng

2016-01-01

Tungsten diselenide (WSe2) film was obtained by rapid selenization of magnetron sputtered tungsten (W) film. To prevent WSe2 film peeling off from the substrate during selenization, the W film was designed with a double-layer structure. The first layer was deposited at a high sputtering-gas pressure to form a loose structure, which can act as a buffer layer to release stresses caused by WSe2 growth. The second layer was deposited naturally on the first layer to react with selenium vapour in the next step. The effect of the W film deposition parameters(such as sputtering time, sputtering-gas pressure and substrate bias voltage)on the texture and surface morphology of the WSe2 film was studied. Shortening the sputtering time, increasing the sputtering-gas pressure or decreasing the substrate bias voltage can help synthesize WSe2 films with more platelets embedded vertically in the matrix. The stress state of the W film influences the WSe2 film texture. Based on the stress state of the W film, a model for growth of the WSe2 films with different textures was proposed. The insertion direction of the van der Waals gap is a key factor for the anisotropic formation of WSe2 film. PMID:27812031
Phenomenological Transition of an Aluminum Surface in an Ionic Liquid and Its Beneficial Implementation in Batteries.

PubMed

Shvartsev, B; Gelman, D; Amram, D; Ein-Eli, Y

2015-12-29

Aluminum (Al) electrochemical dissolution in organic nonaqueous media and room temperature ionic liquids (RTILs) is partially hampered by the presence of a native oxide. In this work, Al activation in EMIm(HF)2.3F RTIL is reported. It was confirmed that as a result of the interaction of Al with the RTIL, a new film is formed instead of the pristine oxide layer. Aluminum surface modifications result in a transformation from a passive state to the active behavior of the metal. This was confirmed via the employment of electrochemical methods and characterization by XPS, AFM, and TEM. It was shown that the pristine oxide surface film dissolves in EMIm(HF)2.3F, allowing an Al-O-F layer to be formed instead. This newly built up layer dramatically restricts Al corrosion while enabling high rates of Al anodic dissolution. These beneficial features allow the implementation of Al as an anode in advanced portable power sources, such as aluminum-air batteries.
Response of the Land-Atmosphere System Over North-Central Oklahoma During the 2017 Eclipse

DOE PAGES

Turner, D. D.; Wulfmeyer, V.; Behrendt, A.; ...

2018-02-05

On 21 August 2017, a solar eclipse occurred over the continental United States resulting in a rapid reduction and subsequent increase of solar radiation over a large region of the country. The eclipse’s effect on the land-atmosphere system is documented in unprecedented detail using a unique array of sensors deployed at three sites in north-central Oklahoma. The observations showed that turbulent fluxes of heat and momentum at the surface responded quickly to the change in solar radiation. The decrease in the sensible heat flux resulted in a decrease in the air temperature below 200 m, and a large decrease inmore » turbulent motions throughout the boundary layer. Furthermore, the turbulent mixing in the boundary layer lagged behind the change in the surface fluxes, and this lag depended on the height above the surface. The turbulent motions increased and the convective boundary layer was reestablished as the sensible heat flux recovered.« less
Zinc Oxide-Based Schottky Diode Prepared Using Radio-Frequency Magnetron Cosputtering System

NASA Astrophysics Data System (ADS)

Lai, Bo-Ting; Lee, Ching-Ting; Hong, Jhen-Dong; Yao, Shiau-Lu; Liu, Day-Shan

2010-08-01

The rectifying property of a zinc oxide (ZnO)-based Schottky diode prepared using a radio-frequency (rf) magnetron cosputtering system was improved by enhancing the cosputtered ZnO crystal quality, thereby optimizing the ohmic contact resistance and compensating the Schottky contact surface states. An undoped ZnO layer with a high c-axis orientation and a low internal residual stress was achieved using a postannealing treatment. A homogeneous n-type ZnO-indium tin oxide (ITO) cosputtered film was deposited onto the undoped ZnO layer to optimize the ohmic contact behavior to the Al electrode. The Schottky contact surface of the undoped ZnO layer to the Ni/Au electrode was passivated using an oxygen plasma treatment. Owing to the compensation of the native oxygen vacancies (VO) on the undoped ZnO surface, the leakage current markedly decreased and subsequently led to a quality Schottky diode performance with an ideality factor of 1.23 and a Schottky barrier height of 0.82 eV.
A Sliding Mode Controller Using Nonlinear Sliding Surface Improved With Fuzzy Logic: Application to the Coupled Tanks System

NASA Astrophysics Data System (ADS)

Boubakir, A.; Boudjema, F.; Boubakir, C.

2008-06-01

This paper proposes an approach of hybrid control that is based on the concept of combining fuzzy logic and the methodology of sliding mode control (SMC). In the present works, a first-order nonlinear sliding surface is presented, on which the developed control law is based. Mathematical proof for the stability and convergence of the system is presented. In order to reduce the chattering in sliding mode control, a fixed boundary layer around the switch surface is used. Within the boundary layer, since the fuzzy logic control is applied, the chattering phenomenon, which is inherent in a sliding mode control, is avoided by smoothing the switch signal. Outside the boundary, the sliding mode control is applied to driving the system states into the boundary layer. Experimental studies carried out on a coupled Tanks system indicate that the proposed fuzzy sliding mode control (FSMC) is a good candidate for control applications.
Response of the Land-Atmosphere System Over North-Central Oklahoma During the 2017 Eclipse

DOE Office of Scientific and Technical Information (OSTI.GOV)

Turner, D. D.; Wulfmeyer, V.; Behrendt, A.

On 21 August 2017, a solar eclipse occurred over the continental United States resulting in a rapid reduction and subsequent increase of solar radiation over a large region of the country. The eclipse’s effect on the land-atmosphere system is documented in unprecedented detail using a unique array of sensors deployed at three sites in north-central Oklahoma. The observations showed that turbulent fluxes of heat and momentum at the surface responded quickly to the change in solar radiation. The decrease in the sensible heat flux resulted in a decrease in the air temperature below 200 m, and a large decrease inmore » turbulent motions throughout the boundary layer. Furthermore, the turbulent mixing in the boundary layer lagged behind the change in the surface fluxes, and this lag depended on the height above the surface. The turbulent motions increased and the convective boundary layer was reestablished as the sensible heat flux recovered.« less
A four-layer model for the heat budget of homogeneous land surfaces

NASA Technical Reports Server (NTRS)

Choudhury, B. J.; Monteith, J. L.

1988-01-01

The present model envisions the heat balance of a homogeneous land surface in terms of available energy, a set of driving potentials, and parameters for the physical state of the soil and vegetation. Two unique features of the model are: (1) the expression of the interaction of evaporation from the soil and from foliage by changes in the value of the saturation vapor pressure deficit of air in the canopy (the conclusions of this interaction being consistent with field observations); and (2) the treatment of sensible and latent heat exchange between the atmosphere and a soil consisting of two discrete layers.
Numerical study of metal oxide hetero-junction solar cells with defects and interface states

NASA Astrophysics Data System (ADS)

Zhu, Le; Shao, Guosheng; Luo, J. K.

2013-05-01

Further to our previous work on ideal metal oxide (MO) hetero-junction solar cells, a systematic simulation has been carried out to investigate the effects of defects and interface states on the cells. Two structures of the window/absorber (WA) and window/absorber/voltage-enhancer (WAV) were modelled with defect concentration, defect energy level, interface state (ISt) density and ISt energy level as parameters. The simulation showed that the defects in the window layer and the voltage-enhancer layer have very limited effects on the performance of the cells, but those in the absorption layer have profound effects on the cell performance. The interface states at the W/A interface have a limited effect on the performance even for a density up to 1013 cm-2, while those at the A/V interface cause the solar cell to deteriorate severely even at a low density of lower than 1 × 1011 cm-2. It also showed that the back surface field (BSF) induced by band gap off-set in the WAV structure loses its function when defects with a modest concentration exist in the absorption layer and does not improve the open voltage at all.
Coupled Molecular Switching Processes in Ordered Mono- and Multilayers of Stimulus-Responsive Rotaxanes on Gold Surfaces

PubMed Central

2015-01-01

Interfaces provide the structural basis for function as, for example, encountered in nature in the membrane-embedded photosystem or in technology in solar cells. Synthetic functional multilayers of molecules cooperating in a coupled manner can be fabricated on surfaces through layer-by-layer self-assembly. Ordered arrays of stimulus-responsive rotaxanes undergoing well-controlled axle shuttling are excellent candidates for coupled mechanical motion. Such stimulus-responsive surfaces may help integrate synthetic molecular machines in larger systems exhibiting even macroscopic effects or generating mechanical work from chemical energy through cooperative action. The present work demonstrates the successful deposition of ordered mono- and multilayers of chemically switchable rotaxanes on gold surfaces. Rotaxane mono- and multilayers are shown to reversibly switch in a coupled manner between two ordered states as revealed by linear dichroism effects in angle-resolved NEXAFS spectra. Such a concerted switching process is observed only when the surfaces are well packed, while less densely packed surfaces lacking lateral order do not exhibit such effects. PMID:25782057
Relaxation of Actinide Surfaces: An All Electron Study

NASA Astrophysics Data System (ADS)

Atta-Fynn, Raymond; Dholabhai, Pratik; Ray, Asok

2006-10-01

Fully relativistic full potential density functional calculations with a linearized augmented plane wave plus local orbitals basis (LAPW + lo) have been performed to investigate the relaxations of heavy actinide surfaces, namely the (111) surface of fcc δ-Pu and the (0001) surface of dhcp Am using WIEN2k. This code uses the LAPW + lo method with the unit cell divided into non-overlapping atom-centered spheres and an interstitial region. The APW+lo basis is used to describe all s, p, d, and f states and LAPW basis to describe all higher angular momentum states. Each surface was modeled by a three-layer periodic slab separated by 60 Bohr vacuum with four atoms per surface unit cell. In general, we have found a contraction of the interlayer separations for both Pu and Am. We will report, in detail, the electronic and geometric structures of the relaxed surfaces and comparisons with the respective non-relaxed surfaces.

Evaluation of near-surface temperature, humidity, and equivalent temperature from regional climate models applied in type II downscaling

NASA Astrophysics Data System (ADS)

Pryor, S. C.; Schoof, J. T.

2016-04-01

Atmosphere-surface interactions are important components of local and regional climates due to their key roles in dictating the surface energy balance and partitioning of energy transfer between sensible and latent heat. The degree to which regional climate models (RCMs) represent these processes with veracity is incompletely characterized, as is their ability to capture the drivers of, and magnitude of, equivalent temperature (Te). This leads to uncertainty in the simulation of near-surface temperature and humidity regimes and the extreme heat events of relevance to human health, in both the contemporary and possible future climate states. Reanalysis-nested RCM simulations are evaluated to determine the degree to which they represent the probability distributions of temperature (T), dew point temperature (Td), specific humidity (q) and Te over the central U.S., the conditional probabilities of Td|T, and the coupling of T, q, and Te to soil moisture and meridional moisture advection within the boundary layer (adv(Te)). Output from all RCMs exhibits discrepancies relative to observationally derived time series of near-surface T, q, Td, and Te, and use of a single layer for soil moisture by one of the RCMs does not appear to substantially degrade the simulations of near-surface T and q relative to RCMs that employ a four-layer soil model. Output from MM5I exhibits highest fidelity for the majority of skill metrics applied herein, and importantly most realistically simulates both the coupling of T and Td, and the expected relationships of boundary layer adv(Te) and soil moisture with near-surface T and q.
More than a biomarker: the systemic consequences of heparan sulfate fragments released during endothelial surface layer degradation (2017 Grover Conference Series)

PubMed Central

Oshima, Kaori; Haeger, Sarah M.; Hippensteel, Joseph A.; Herson, Paco S.

2017-01-01

Advances in tissue fixation and imaging techniques have yielded increasing appreciation for the glycosaminoglycan-rich endothelial glycocalyx and its in vivo manifestation, the endothelial surface layer (ESL). Pathological loss of the ESL during critical illness promotes local endothelial dysfunction and, consequently, organ injury. Glycosaminoglycan fragments, such as heparan sulfate, are released into the plasma of animals and humans after ESL degradation and have thus served as a biomarker of endothelial injury. The development of state-of-the-art glycomic techniques, however, has revealed that these circulating heparan sulfate fragments are capable of influencing growth factor and other signaling pathways distant to the site of ESL injury. This review summarizes the current state of knowledge concerning the local (i.e. endothelial injury) and systemic (i.e. para- or endocrine) consequences of ESL degradation and identifies opportunities for future, novel investigations. PMID:29199903
Investigation of surface charge density on solid-liquid interfaces by modulating the electrical double layer.

PubMed

Moon, Jong Kyun; Song, Myung Won; Pak, Hyuk Kyu

2015-05-20

A solid surface in contact with water or aqueous solution usually carries specific electric charges. These surface charges attract counter ions from the liquid side. Since the geometry of opposite charge distribution parallel to the solid-liquid interface is similar to that of a capacitor, it is called an electrical double layer capacitor (EDLC). Therefore, there is an electrical potential difference across an EDLC in equilibrium. When a liquid bridge is formed between two conducting plates, the system behaves as two serially connected EDLCs. In this work, we propose a new method for investigating the surface charge density on solid-liquid interfaces. By mechanically modulating the electrical double layers and simultaneously applying a dc bias voltage across the plates, an ac electric current can be generated. By measuring the voltage drop across a load resistor as a function of bias voltage, we can study the surface charge density on solid-liquid interfaces. Our experimental results agree very well with the simple equivalent electrical circuit model proposed here. Furthermore, using this method, one can determine the polarity of the adsorbed state on the solid surface depending on the material used. We expect this method to aid in the study of electrical phenomena on solid-liquid interfaces.
76 FR 44547 - Endangered and Threatened Wildlife and Plants; 12-Month Finding on a Petition To List the Giant...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-07-26

... worms live near the ground's surface and consume organic litter on and near the surface. Endogeic worms... upper layers of mineral soil, (2) consume organic material in the mineral soil or at the soil-litter... consisting of organic matter in varying stages of decomposition.'' He also states that deep burrow depths...
Control of Ambipolar Transport in SnO Thin-Film Transistors by Back-Channel Surface Passivation for High Performance Complementary-like Inverters.

PubMed

Luo, Hao; Liang, Lingyan; Cao, Hongtao; Dai, Mingzhi; Lu, Yicheng; Wang, Mei

2015-08-12

For ultrathin semiconductor channels, the surface and interface nature are vital and often dominate the bulk properties to govern the field-effect behaviors. High-performance thin-film transistors (TFTs) rely on the well-defined interface between the channel and gate dielectric, featuring negligible charge trap states and high-speed carrier transport with minimum carrier scattering characters. The passivation process on the back-channel surface of the bottom-gate TFTs is indispensable for suppressing the surface states and blocking the interactions between the semiconductor channel and the surrounding atmosphere. We report a dielectric layer for passivation of the back-channel surface of 20 nm thick tin monoxide (SnO) TFTs to achieve ambipolar operation and complementary metal oxide semiconductor (CMOS) like logic devices. This chemical passivation reduces the subgap states of the ultrathin channel, which offers an opportunity to facilitate the Fermi level shifting upward upon changing the polarity of the gate voltage. With the advent of n-type inversion along with the pristine p-type conduction, it is now possible to realize ambipolar operation using only one channel layer. The CMOS-like logic inverters based on ambipolar SnO TFTs were also demonstrated. Large inverter voltage gains (>100) in combination with wide noise margins are achieved due to high and balanced electron and hole mobilities. The passivation also improves the long-term stability of the devices. The ability to simultaneously achieve field-effect inversion, electrical stability, and logic function in those devices can open up possibilities for the conventional back-channel surface passivation in the CMOS-like electronics.
Improved crystalline quality of AlN epitaxial layer on sapphire by introducing TMGa pulse flow into the nucleation stage

NASA Astrophysics Data System (ADS)

Wu, Hualong; Wang, Hailong; Chen, Yingda; Zhang, Lingxia; Chen, Zimin; Wu, Zhisheng; Wang, Gang; Jiang, Hao

2018-05-01

The crystalline quality of AlN epitaxial layers on sapphire substrates was improved by introducing trimethylgallium (TMGa) pulse flow into the growth of AlN nucleation layers. It was found that the density of both screw- and edge-type threading dislocations could be significantly reduced by introducing the TMGa pulse flow. With increasing TMGa pulse flow times, the lateral correlation length (i.e. the grain size) increases and the strain in the AlN epilayers changes from tensile state to compressive state. Unstrained AlN with the least dislocations and a smooth surface was obtained by introducing 2-times TMGa pulse flow. The crystalline improvement is attributed to enhanced lateral growth and improved crystalline orientation by the TMGa pulse flow.
Intermetallic Compound Growth between Electroless Nickel/Electroless Palladium/Immersion Gold Surface Finish and Sn-3.5Ag or Sn-3.0Ag-0.5Cu Solder

NASA Astrophysics Data System (ADS)

Oda, Yukinori; Fukumuro, Naoki; Yae, Shinji

2018-04-01

Using an electroless nickel/electroless palladium/immersion gold (ENEPIG) surface finish with a thick palladium-phosphorus (Pd-P) layer of 1 μm, the intermetallic compound (IMC) growth between the ENEPIG surface finish and lead-free solders Sn-3.5Ag (SA) or Sn-3.0Ag-0.5Cu (SAC) after reflow soldering and during solid-state aging at 150°C was investigated. After reflow soldering, in the SA/ENEPIG and SAC/ENEPIG interfaces, thick PdSn4 layers of about 2 μm to 3 μm formed on the residual Pd-P layers ( 0.5 μm thick). On the SA/ENEPIG interface, Sn was detected on the upper side of the residual Pd-P layer. On the SAC/ENEPIG interface, no Sn was detected in the residual Pd-P layer, and Cu was detected in the interface between the Pd-P and PdSn4 layers. After 300 h of aging at 150°C, the residual Pd-P layers had diffused completely into the solders. In the SA/ENEPIG interface, an IMC layer consisting of Ni3Sn4 and Ni3SnP formed between the PdSn4 layer and the nickel-phosphorus (Ni-P) layer, and a (Pd,Ni)Sn4 layer formed on the lower side of the PdSn4 layer. On the SAC/ENEPIG interface, a much thinner (Pd,Ni)Sn4 layer was observed, and a (Cu,Ni)6Sn5 layer was observed between the PdSn4 and Ni-P layers. These results indicate that Ni diffusion from the Ni-P layer to the PdSn4 layer produced a thick (Pd,Ni)Sn4 layer in the SA solder case, but was prevented by formation of (Cu,Ni)6Sn5 in the SAC solder case. This causes the difference in solder joint reliability between SA/ENEPIG and SAC/ENEPIG interfaces in common, thin Pd-P layer cases.
pH-Triggered SERS via Modulated Plasmonic Coupling in Individual Bimetallic Nanocobs

DTIC Science & Technology

2011-01-01

dry states. In contrast with previous examples of such bimetallic nano- cobs, we utilize here a responsive polyacrylic acid (PAA) nanocoating that...Moreover, placing nanoparticles inside a polymer- gel layer in close proximity to the nanowire surface effectively prevents any potential aggregation of...unexpected result even for gel materials. This expanded state allowed for observation of the molecular ordering in the swollen-dried state (Figure 3
Flexible conformable hydrophobized surfaces for turbulent flow drag reduction

NASA Astrophysics Data System (ADS)

Brennan, Joseph C.; Geraldi, Nicasio R.; Morris, Robert H.; Fairhurst, David J.; McHale, Glen; Newton, Michael I.

2015-05-01

In recent years extensive work has been focused onto using superhydrophobic surfaces for drag reduction applications. Superhydrophobic surfaces retain a gas layer, called a plastron, when submerged underwater in the Cassie-Baxter state with water in contact with the tops of surface roughness features. In this state the plastron allows slip to occur across the surface which results in a drag reduction. In this work we report flexible and relatively large area superhydrophobic surfaces produced using two different methods: Large roughness features were created by electrodeposition on copper meshes; Small roughness features were created by embedding carbon nanoparticles (soot) into Polydimethylsiloxane (PDMS). Both samples were made into cylinders with a diameter under 12 mm. To characterize the samples, scanning electron microscope (SEM) images and confocal microscope images were taken. The confocal microscope images were taken with each sample submerged in water to show the extent of the plastron. The hydrophobized electrodeposited copper mesh cylinders showed drag reductions of up to 32% when comparing the superhydrophobic state with a wetted out state. The soot covered cylinders achieved a 30% drag reduction when comparing the superhydrophobic state to a plain cylinder. These results were obtained for turbulent flows with Reynolds numbers 10,000 to 32,500.
Effects of Cavities and Protuberances on Transition over Hypersonic Vehicles

NASA Technical Reports Server (NTRS)

Chang, Chau-Lyan; Choudhari, Meelan M.; Li, Fei; Venkatachari, Balaji

2011-01-01

Surface protuberances and cavities on a hypersonic vehicle are known to cause several aerodynamic or aerothermodynamic issues. Most important of all, premature transition due to these surface irregularities can lead to a significant rise in surface heating. To help understand laminar-turbulent transition induced by protuberances or cavities on a Crew Exploration Vehicle (CEV) surface, high-fidelity numerical simulations are carried out for both types of trips on a CEV wind tunnel model. Due to the large bluntness, these surface irregularities reside in an accelerating subsonic boundary layer. For the Mach 6 wind tunnel conditions with a roughness Reynolds number Re(sub kk) of 800, it was found that a protuberance with a height to boundary layer thickness ratio of 0.73 leads to strong wake instability and spontaneous vortex shedding, while a cavity with identical geometry only causes a rather weak flow unsteadiness. The same cavity with a larger Reynolds number also leads to similar spontaneous vortex shedding and wake instability. The wake development and the formation of hairpin vortices for both protuberance and cavity were found to be qualitatively similar to that observed for an isolated hemisphere submerged in a subsonic, low speed flat-plate boundary layer. However, the shed vortices and their accompanying instability waves were found to be slightly stabilized downstream by the accelerating boundary layer along the CEV surface. Despite this stabilizing influence, it was found that the wake instability spreads substantially in both wall-normal and azimuthal directions as the flow is evolving towards a transitional state. Similarities and differences between the wake instability behind a protuberance and a cavity are investigated. Computations for the Mach 6 boundary layer over a slender cylindrical roughness element with a height to the boundary layer thickness of about 1.1 also shows spontaneous vortex shedding and strong wake instability. Comparisons of detailed flow structures associated with protuberances at subsonic and supersonic edge Mach numbers indicate distinctively different instability mechanisms.
On the Development of Models for Height Profiles of the Wind Speed in the Atmospheric Surface Layer

NASA Astrophysics Data System (ADS)

Nikolaev, V. G.; Ganaga, S. V.; Kudryashov, Yu. I.; Nikolaev, V. V.

2018-03-01

The reliability of the known models of a height profile of the wind speed V( h) in the atmospheric boundary layer (ABL) and near-surface layer (NSL) is analyzed using the data of long-term ABL measurements accumulated in Russia in the state network of meteorological and aerological stations and the data of multilevel measurements at mast wind-measuring complexes. A new multilayer semiempirical model of V( h) is proposed which is based on aerodynamic and physical representations of the ABL vertical structure and relies on the hypothesis that wind-speed profiles providing the minimum wind friction on the ground and satisfying the conditions of profile smoothness are feasible in the ABL. This model ensures the best agreement with the data of meteorological, aerological, and mast wind measurements.
Galvanostatic interruption of lithium insertion into magnetite: Evidence of surface layer formation

DOE PAGES

Nicholas W. Brady; Takeuchi, Esther S.; Knehr, K. W.; ...

2016-04-24

Magnetite is a known lithium intercalation material, and the loss of active, nanocrystalline magnetite can be inferred from the open-circuit potential relaxation. Specifically, for current interruption after relatively small amounts of lithium insertion, the potential first increases and then decreases, and the decrease is hypothesized to be due to a formation of a surface layer, which increases the solid-state lithium concentration in the remaining active material. Comparisons of simulation to experiment suggest that the reactions with the electrolyte result in the formation of a thin layer of electrochemically inactive material, which is best described by a nucleation and growth mechanism.more » Simulations are consistent with experimental results observed for 6, 8 and 32-nm crystals. As a result, simulations capture the experimental differences in lithiation behavior between the first and second cycles.« less
Atmospheric surface and boundary layers of the Amazon Basin

NASA Technical Reports Server (NTRS)

Garstang, Michael

1987-01-01

Three phases of work were performed: design of and preparation for the Amazon Boundary Layer Experiment (ABLE 2-A); execution of the ABLE 2-A field program; and analysis of the ABLE 2-A data. Three areas of experiment design were dealt with: surface based meteorological measurements; aircraft missions; and project meteorological support. The primary goal was to obtain a good description of the structure of the atmosphere immediately above the rain forest canopy (top of canopy to a few thousand meters), to describe this region during the growing daytime phase of the boundary layer; and to examine the nighttime stratified state. A secondary objective was to examine the role that deep convective storms play in the vertical transport of heat, water vapor, and other trace gases. While significant progress was made, much of the analysis remains to be done.
Study of ion-irradiated tungsten in deuterium plasma

NASA Astrophysics Data System (ADS)

Khripunov, B. I.; Gureev, V. M.; Koidan, V. S.; Kornienko, S. N.; Latushkin, S. T.; Petrov, V. B.; Ryazanov, A. I.; Semenov, E. V.; Stolyarova, V. G.; Danelyan, L. S.; Kulikauskas, V. S.; Zatekin, V. V.; Unezhev, V. N.

2013-07-01

Experimental study aimed at investigation of neutron induced damage influence on fusion reactor plasma facing materials is reported. Displacement damage was produced in tungsten by high-energy helium and carbon ions at 3-10 MeV. The reached level of displacement damage ranged from several dpa to 600 dpa. The properties of the irradiated tungsten were studied in steady-state deuterium plasma on the LENTA linear divertor simulator. Plasma exposures were made at 250 eV of ion energy to fluence 1021-1022 ion/сm2. Erosion dynamics of the damaged layer and deuterium retention were observed. Surface microstructure modifications and important damage of the 5 μm layer shown. Deuterium retention in helium-damaged tungsten (ERD) showed its complex behavior (increase or decrease) depending on implanted helium quantity and the structure of the surface layer.
Changes in the structure and wear resistance of the surface layer of copper under treatment by nitrogen ion beams

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sergeev, Victor P., E-mail: vserg@mail.tomsknet.ru, E-mail: kmp1980@mail.ru; Kalashnikov, Mark P., E-mail: vserg@mail.tomsknet.ru, E-mail: kmp1980@mail.ru; Rybalko, Evgeniya V., E-mail: evgeniaribka@yandex.com, E-mail: alfred-1972@mail.ru, E-mail: tehnovak@ispms.tsc.ru, E-mail: zhastas@mail.ru

2014-11-14

The structural-phase state of the treated sample surface was investigated by TEM. It was shown by the TEM and VIMS method that the improvement of tribological properties of the copper samples can be associated with an increase of relaxation ability due to a significant increase of the nitrogen concentration in it, which is accompanied by the refinement of fcc-Cu main phase grain structure and the formation of nanopores or gas bubbles in the ion-modified surface layer. A high-dose implantation of nitrogen ions and copper samples increases the wear resistance in 1.5-4.5 times together with a counterbody from the same materialmore » in the argon environment. The microhardness of the copper samples also increases.« less
Growth of carbon structured over Pd, Pt and Ni: A comparative DFT study

NASA Astrophysics Data System (ADS)

Quiroga, Matías Abel

2013-03-01

To elucidate the graphene-like structures mechanisms growth over the M(1 1 1) surface (M = Pd, Pt and Ni) we performed ab initio calculus in the frame of density functional theory with the exchange-correlation functional treated according to the Generalized Gradient Approximation (GGA). In order to avoid the problem that represent the complex interaction between the well formed graphene layer and the metallic surface, we recreate the carbon rings formation initial steps, by adding one by one carbon atoms over M(1 1 1) surface. With this strategy, the chemical bonding is always present until the graphene layer is well formed, in which case the GGA neglects van der Waals dispersive forces. We investigate the electronic properties by studying the band structure and the density of states.
Atomic and electronic structures of Si(1 1 1)-\\left(\\sqrt{\\mathbf{3}}\\times\\sqrt{\\mathbf{3}}\\right)\\text{R}\\mathbf{3}{{\\mathbf{0}}^{\\circ}} -Au and (6 × 6)-Au surfaces

NASA Astrophysics Data System (ADS)

Patterson, C. H.

2015-12-01

Si(1 1 1)-Au surfaces with around one monolayer of Au exhibit many ordered structures and structures containing disordered domain walls. Hybrid density functional theory (DFT) calculations presented here reveal the origin of these complex structures and tendency to form domain walls. The conjugate honeycomb chain trimer (CHCT) structure of the \\sqrt{3} -Au phase contains Si atoms with non-bonding surface states which can bind Au atoms in pairs in interstices of the CHCT structure and make this surface metallic. Si adatoms adsorbed on the \\sqrt{3} -Au surface induce a gapped surface through interaction with the non-bonding states. Adsorption of extra Au atoms in interstitial sites of the \\sqrt{3} -Au surface is stabilized by interaction with the non-bonding orbitals and leads to higher coverage ordered structures including the ≤ft(6× 6\\right) -Au phase. Extra Au atoms bound in interstitial sites of the \\sqrt{3} -Au surface result in top layer Si atoms with an SiAu4 butterfly wing configuration. The structure of a ≤ft(6× 6\\right) -Au phase, whose in-plane top atomic layer positions were previously determined by an electron holography technique (Grozea et al 1998 Surf. Sci. 418 32), is calculated using total energy minimization. The Patterson function for this structure is calculated and is in good agreement with data from an in-plane x-ray diffraction study (Dornisch et al 1991 Phys. Rev. B 44 11221). Filled and empty state scanning tunneling microscopy (STM) images are calculated for domain walls and the ≤ft(6× 6\\right) -Au structure. The ≤ft(6× 6\\right) -Au phase is 2D chiral and this is evident in computed and actual STM images. ≤ft(6× 6\\right) -Au and domain wall structures contain the SiAu4 motif with a butterfly wing shape. Chemical bonding within the Si-Au top layers of the \\sqrt{3} -Au and ≤ft(6× 6\\right) -Au surfaces is analyzed and an explanation for the SiAu4 motif structure is given.
Quantum chemical elucidation of the mechanism for hydrogenation of TiO2 anatase crystals

NASA Astrophysics Data System (ADS)

Raghunath, P.; Huang, W. F.; Lin, M. C.

2013-04-01

Hydrogenation of TiO2 is relevant to hydrogen storage and water splitting. We have carried out a detailed mechanistic study on TiO2 hydrogenation through H and/or H2 diffusion from the surface into subsurface layers of anatase TiO2 (101) by periodic density functional theory calculations implementing on-site Coulomb interactions (DFT + U). Both H atoms and H2 molecules can migrate from the crystal surface into TiO2 near subsurface layer with 27.8 and 46.2 kcal/mol energy barriers, respectively. The controlling step for the former process is the dissociative adsorption of H2 on the surface which requires 47.8 kcal/mol of energy barrier. Both hydrogen incorporation processes are expected to be equally favorable. The barrier energy for H2 migration from the first layer of the subsurface Osub1 to the 2nd layer of the subsurface oxygen Osub2 requires only 6.6 kcal. The presence of H atoms on the surface and inside the subsurface layer tends to promote both H and H2 penetration into the subsurface layer by reducing their energy barriers, as well as to prevent the escape of the H2 from the cage by increasing its escaping barrier energy. The H2 molecule inside a cage can readily dissociate and form 2HO-species exothermically (ΔH = -31.0 kcal/mol) with only 26.2 kcal/mol barrier. The 2HO-species within the cage may further transform into H2O with a 22.0 kcal/mol barrier and 19.3 kcal/mol exothermicity relative to the caged H2 molecule. H2O formation following the breaking of Ti-O bonds within the cage may result in the formation of O-vacancies and surface disordering as observed experimentally under a high pressure and moderately high temperature condition. According to density of states analysis, the projected density of states of the interstitial H, H2, and H2O appear prominently within the TiO2 band gap; in addition, the former induces a shift of the band gap position notably towards the conduction band. The thermochemistry for formation of the most stable sub-surface species (2HO and H2O) has been predicted. These results satisfactorily account for the photo-catalytic activity enhancement observed experimentally by hydrogenation at high temperatures and high pressures.
A switchable polymer layer: Chain folding in end-charged polymer brushes

NASA Astrophysics Data System (ADS)

Heine, David; Wu, David T.

2001-03-01

We use a self-consistent field approximation to model the configurations of end-charged homopolymer and block copolymer brushes in response to an external electric field due to charges on the grafting surface. By varying the charge density on the grafting surface, we can cause the chains either to extend outward, greatly increasing the brush height, or to loop back to the grafting surface. We show that such a copolymer brush can present one block at the exposed surface in the extended state and present the other block in the retracted state. This occurs for both a solvated brush and a dry brush. We also compare these results to those of a modified Alexander-de Gennes model for the end-charged homopolymer brush.
Effect of thin oxide layers incorporated in spin valve structures

NASA Astrophysics Data System (ADS)

Gillies, M. F.; Kuiper, A. E. T.; Leibbrandt, G. W. R.

2001-06-01

The enhancement of the magnetoresistance effect, induced by incorporating nano-oxide layers (NOLs) in a bottom-type spin valve, was studied for various preparation conditions. The effect of a NOL in the Co90Fe10 pinned layer was found to depend critically on the oxygen pressure applied to form the thin oxide film. Pressures over 10-3 Torr O2 yield oxides thicker than about 0.7 nm, which apparently deteriorate the biasing field which exists over the oxide. The magnetoresistance values can further be raised by forming a specular reflecting oxide on top of the sense layer. Promising results were obtained with an Al2O3 capping layer formed in a solid-state oxidation reaction that occurs spontaneously when a thin Al layer is deposited on the oxidized surface of the Co90Fe10 sense layer.

Swelling properties of montmorillonite and beidellite clay minerals from molecular simulation: Comparison of temperature interlayer cation, and charge location effects

DOE PAGES

Teich-McGoldrick, Stephanie L.; Greathouse, Jeffery A.; Jove-Colon, Carlos F.; ...

2015-08-27

In this study, the swelling properties of smectite clay minerals are relevant to many engineering applications including environmental remediation, repository design for nuclear waste disposal, borehole stability in drilling operations, and additives for numerous industrial processes and commercial products. We used molecular dynamics and grand canonical Monte Carlo simulations to study the effects of layer charge location, interlayer cation, and temperature on intracrystalline swelling of montmorillonite and beidellite clay minerals. For a beidellite model with layer charge exclusively in the tetrahedral sheet, strong ion–surface interactions shift the onset of the two-layer hydrate to higher water contents. In contrast, for amore » montmorillonite model with layer charge exclusively in the octahedral sheet, weaker ion–surface interactions result in the formation of fully hydrated ions (two-layer hydrate) at much lower water contents. Clay hydration enthalpies and interlayer atomic density profiles are consistent with the swelling results. Water adsorption isotherms from grand canonical Monte Carlo simulations are used to relate interlayer hydration states to relative humidity, in good agreement with experimental findings.« less
Atomically thick bismuth selenide freestanding single layers achieving enhanced thermoelectric energy harvesting.

PubMed

Sun, Yongfu; Cheng, Hao; Gao, Shan; Liu, Qinghua; Sun, Zhihu; Xiao, Chong; Wu, Changzheng; Wei, Shiqiang; Xie, Yi

2012-12-19

Thermoelectric materials can realize significant energy savings by generating electricity from untapped waste heat. However, the coupling of the thermoelectric parameters unfortunately limits their efficiency and practical applications. Here, a single-layer-based (SLB) composite fabricated from atomically thick single layers was proposed to optimize the thermoelectric parameters fully. Freestanding five-atom-thick Bi(2)Se(3) single layers were first synthesized via a scalable interaction/exfoliation strategy. As revealed by X-ray absorption fine structure spectroscopy and first-principles calculations, surface distortion gives them excellent structural stability and a much increased density of states, resulting in a 2-fold higher electrical conductivity relative to the bulk material. Also, the surface disorder and numerous interfaces in the Bi(2)Se(3) SLB composite allow for effective phonon scattering and decreased thermal conductivity, while the 2D electron gas and energy filtering effect increase the Seebeck coefficient, resulting in an 8-fold higher figure of merit (ZT) relative to the bulk material. This work develops a facile strategy for synthesizing atomically thick single layers and demonstrates their superior ability to optimize the thermoelectric energy harvesting.
Linking boundary-layer circulations and surface processes during FIFE89. Part 1: Observational analysis

NASA Technical Reports Server (NTRS)

Smith, Eric A.; Wai, Mickey M.-K.; Cooper, Harry J.; Rubes, Michael T.; Hsu, Ann

1994-01-01

Surface, aircraft, and satellite observations are analyzed for the 21-day 1989 intensive field campaign of the First ISLSCP Field Experiment (FIFE) to determine the effect of precipitation, vegetation, and soil moisture distributions on the thermal properties of the surface including the heat and moisture fluxes, and the corresponding response in the boundary-layer circulation. Mean and variance properties of the surface variables are first documented at various time and space scales. These calculations are designed to set the stage for Part 2, a modeling study that will focus on how time-space dependent rainfall distribution influences the intensity of the feedback between a vegetated surface and the atmospheric boundary layer. Further analysis shows strongly demarked vegetation and soil moisture gradients extending across the FIFE experimental site that were developed and maintained by the antecedent and ongoing spatial distribution of rainfall over the region. These gradients are shown to have a pronounced influence on the thermodynamic properties of the surface. Furthermore, perturbation surface wind analysis suggests for both short-term steady-state conditions and long-term averaged conditions that the gradient pattern maintained a diurnally oscillating local direct circulation with perturbation vertical velocities of the same order as developing cumulus clouds. Dynamical and scaling considerations suggest that the embedded perturbation circulation is driven by surface heating/cooling gradients and terrain ef fects rather than the manifestation of an inertial oscillation. The implication is that at even relatively small scales (less than 30 km), the differential evolution in vegetation density and soil moisture distribution over a relatively homogenous ecotone can give rise to preferential boundary-layer circulations capable of modifying local-scale horizontal and vertical motions.
Development of advanced second-generation micromirror devices fabricated in a four-level planarized surface-micromachined polycrystalline silicon process

NASA Astrophysics Data System (ADS)

Michalicek, M. Adrian; Comtois, John H.; Schriner, Heather K.

1998-04-01

This paper describes the design and characterization of several types of micromirror devices to include process capabilities, device modeling, and test data resulting in deflection versus applied potential curves and surface contour measurements. These devices are the first to be fabricated in the state-of-the-art four-level planarized polysilicon process available at Sandia National Laboratories known as the Sandia Ultra-planar Multi-level MEMS Technology. This enabling process permits the development of micromirror devices with near-ideal characteristics which have previously been unrealizable in standard three-layer polysilicon processes. This paper describes such characteristics which have previously been unrealizable in standard three-layer polysilicon processes. This paper describes such characteristics as elevated address electrodes, various address wiring techniques, planarized mirror surfaces suing Chemical Mechanical Polishing, unique post-process metallization, and the best active surface area to date.
Nanoscale multiple gaseous layers on a hydrophobic surface.

PubMed

Zhang, Lijuan; Zhang, Xuehua; Fan, Chunhai; Zhang, Yi; Hu, Jun

2009-08-18

The nanoscale gas state at the interfaces of liquids (water, acid, and salt solutions) and highly oriented pyrolytic graphite (HOPG) was investigated via tapping-mode atomic force microscopy (AFM). For the first time, we report that the interfacial gases could form bilayers and trilayers, i.e., on the top of a flat gas layer, there are one or two more gas layers. The formation of these gas layers could be induced by a local supersaturation of gases, which can be achieved by (1) temperature difference between the liquids and the HOPG substrates or (2) exchange ethanol with water. Furthermore, we found that the gas layers were less stable than spherical bubbles. They could transform to bubbles with time or under the perturbation of the AFM tip.
DOE Office of Scientific and Technical Information (OSTI.GOV)

Yafyasov, A. M., E-mail: yafyasov@gmail.com; Bogevolnov, V. B.; Ryumtsev, E. I.

A semiconductor—organic-insulator system with spatially distributed charge is created with a uniquely low density of fast surface states (N{sub ss}) at the interface. A system with N{sub ss} ≈ 5 × 10{sup 10} cm{sup –2} is obtained for the example of n-Ge and the physical characteristics of the interface are measured for this system with liquid and metal field electrodes. For a system with an organic insulator, the range of variation of the surface potential from enrichment of the space-charge region of the semiconductor to the inversion state is first obtained without changing the mechanism of interaction between the adsorbedmore » layer and the semiconductor surface. The effect of enhanced polarization of the space-charge region of the semiconductor occurs due to a change in the spatial structure of mobile charge in the organic dielectric layer. The system developed in the study opens up technological opportunities for the formation of a new generation of electronic devices based on organic film structures and for experimental modeling of the electronic properties of biological membranes.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)

Meisner, Ludmila L.; Semin, Viktor O.; Gudimova, Ekaterina Y.

By transmission electron microscopy method the evolution of structural-phase states on a depth of close to equiatomic NiTi modified layer has been studied. Modification performed by pulse impact on its surface low-energy high-current electron beam (beam energy density 10 J/sm{sup 2}, 10 pulses, pulse duration 50mks). It is established that during the treatment in the layer thickness of 8–10 μm, the melting of primary B2 phase and contained therein as Ti2Ni phase particles occurs. The result is change in the concentration ratio of titanium and nickel in the direction of increasing titanium content, which was confirmed by X-ray analysis in themore » form of increased unit cell parameter B2 phase. Analysis of the electron diffraction pattern showed that the modified layer is characterized as a highly distorted structure on the basis of bcc lattice. Lattice distortions are maximal near the surface and extends to a depth of melt. In subjacent layer there is gradual decline lattice distortions is observed.« less
A brief description of the simple biosphere model (SiB)

NASA Technical Reports Server (NTRS)

Sellers, P. J.; Mintz, Y.; Sud, Y. C.

1986-01-01

A biosphere model for calculating the transfer of energy, mass, and momentum between the atmosphere and the vegetated surface of the Earth was designed for atmospheric general circulation models. An upper vegetation layer represents the perennial canopy of trees or shrubs, a lower layer represents the annual ground cover of grasses and other herbacious species. The local coverage of each vegetation layer may be fractional or complete but as the individual vegetation elements are considered to be evenly spaced, their root systems are assumed to extend uniformly throughout the entire grid-area. The biosphere has seven prognostic physical-state variables: two temperatures (one for the canopy and one for the ground cover and soil surface); two interception water stores (one for the canopy and one for the ground cover); and three soil moisture stores (two of which can be reached by the vegetation root systems and one underlying recharge layer into and out of which moisture is transferred only by hydraulic diffusion).
Entropically Driven Layering Near a Substrate: A Fluids DFT Study

NASA Astrophysics Data System (ADS)

McGarrity, Erin; Frischknecht, Amalie; Mackay, Michael

2008-03-01

We employ a fluids density functional theory to study the phase behavior of athermal polymer/nanoparticle blends near a hard substrate. These blends exhibit two types of first order, entropically driven layering transitions. In the first type of transition, the nanoparticles order to form a layer which is a fixed distance from the surface. The structure and location of this layer depends on nanoparticle radius. In the second type of transition, which occurs at melt-like densities, the nanoparticles and polymers form laminar structures which resemble colloidal crystals. We examine the effects of packing density, chain length and nanoparticle radius on the system and show that the transitions are first order. In addition we show that the crystalline phase is nucleated by the presence of the surface. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.
Impact of thickness on the structural properties of high tin content GeSn layers

NASA Astrophysics Data System (ADS)

Aubin, J.; Hartmann, J. M.; Gassenq, A.; Milord, L.; Pauc, N.; Reboud, V.; Calvo, V.

2017-09-01

We have grown various thicknesses of GeSn layers in a 200 mm industrial Reduced Pressure - Chemical Vapor Deposition cluster tool using digermane (Ge2H6) and tin tetrachloride (SnCl4). The growth pressure (100 Torr) and the F(Ge2H6)/F(SnCl4) mass-flow ratio were kept constant, and incorporation of tin in the range of 10-15% was achieved with a reduction in temperature: 325 °C for 10% to 301 °C for 15% of Sn. The layers were grown on 2.5 μm thick Ge Strain Relaxed Buffers, themselves on Si(0 0 1) substrates. We used X-ray Diffraction, Atomic Force Microscopy, Raman spectroscopy and Scanning Electron Microscopy to measure the Sn concentration, the strain state, the surface roughness and thickness as a function of growth duration. A dramatic degradation of the film was seen when the Sn concentration and layer thickness were too high resulting in rough/milky surfaces and significant Sn segregation.
Stencil lithography of superconducting contacts on MBE-grown topological insulator thin films

NASA Astrophysics Data System (ADS)

Schüffelgen, Peter; Rosenbach, Daniel; Neumann, Elmar; Stehno, Martin P.; Lanius, Martin; Zhao, Jialin; Wang, Meng; Sheehan, Brendan; Schmidt, Michael; Gao, Bo; Brinkman, Alexander; Mussler, Gregor; Schäpers, Thomas; Grützmacher, Detlev

2017-11-01

Topological insulator (Bi0.06Sb0.94)2Te3 thin films grown by molecular beam epitaxy have been capped in-situ with a 2 nm Al film to conserve the pristine topological surface states. Subsequently, a shadow mask - structured by means of focus ion beam - was in-situ placed underneath the sample to deposit a thick layer of Al on well-defined microscopically small areas. The 2 nm thin Al layer fully oxidizes after exposure to air and in this way protects the TI surface from degradation. The thick Al layer remains metallic underneath a 3-4 nm thick native oxide layer and therefore serves as (super-) conducting contacts. Superconductor-Topological Insulator-Superconductor junctions with lateral dimensions in the nm range have then been fabricated via an alternative stencil lithography technique. Despite the in-situ deposition, transport measurements and transmission electron microscope analysis indicate a low transparency, due to an intermixed region at the interface between topological insulator thin film and metallic Al.
Depth Profiling Analysis of Aluminum Oxidation During Film Deposition in a Conventional High Vacuum System

NASA Technical Reports Server (NTRS)

Kim, Jongmin; Weimer, Jeffrey J.; Zukic, Muamer; Torr, Douglas G.

1994-01-01

The oxidation of aluminum thin films deposited in a conventional high vacuum chamber has been investigated using x-ray photoelectron spectroscopy (XPS) and depth profiling. The state of the Al layer was preserved by coating it with a protective MgF2 layer in the deposition chamber. Oxygen concentrations in the film layers were determined as a function of sputter time (depth into the film). The results show that an oxidized layer is formed at the start of Al deposition and that a less extensively oxidized Al layer is deposited if the deposition rate is fast. The top surface of the Al layer oxidizes very quickly. This top oxidized layer may be thicker than has been previously reported by optical methods. Maximum oxygen concentrations measured by XPS at each Al interface are related to pressure to rate ratios determined during the Al layer deposition.
Systems and methods for advanced ultra-high-performance InP solar cells

DOEpatents

Wanlass, Mark

2017-03-07

Systems and Methods for Advanced Ultra-High-Performance InP Solar Cells are provided. In one embodiment, an InP photovoltaic device comprises: a p-n junction absorber layer comprising at least one InP layer; a front surface confinement layer; and a back surface confinement layer; wherein either the front surface confinement layer or the back surface confinement layer forms part of a High-Low (HL) doping architecture; and wherein either the front surface confinement layer or the back surface confinement layer forms part of a heterointerface system architecture.
Inducing electric polarization in ultrathin insulating layers

NASA Astrophysics Data System (ADS)

Martinez-Castro, Jose; Piantek, Marten; Persson, Mats; Serrate, David; Hirjibehedin, Cyrus F.

Studies of ultrathin polar oxide films have attracted the interest of researchers for a long time due to their different properties compared to bulk materials. However they present several challenges such as the difficulty in the stabilization of the polar surfaces and the limited success in tailoring their properties. Moreover, recently developed Van der Waals materials have shown that the stacking of 2D-layers trigger new collective states thanks to the interaction between layers. Similarly, interface phenomena emerge in polar oxides, like induced ferroelectricity. This represents a promising way for the creation of new materials with customized properties that differ from those of the isolated layers. Here we present a new approach for the fabrication and study of atomically thin insulating films. We show that the properties of insulating polar layers of sodium chloride (NaCl) can be engineered when they are placed on top of a charge modulated template of copper nitride (Cu2N). STM studies carried out in ultra-high vacuum and at low temperatures over NaCl/Cu2N/Cu(001) show that we are able to build up and stabilize interfaces of polar surface at the limit of one atomic layer showing new properties not present before at the atomic scale.
Efficiency Enhancement of Nanotextured Black Silicon Solar Cells Using Al2O3/TiO2 Dual-Layer Passivation Stack Prepared by Atomic Layer Deposition.

PubMed

Wang, Wei-Cheng; Tsai, Meng-Chen; Yang, Jason; Hsu, Chuck; Chen, Miin-Jang

2015-05-20

In this study, efficient nanotextured black silicon (NBSi) solar cells composed of silicon nanowire arrays and an Al2O3/TiO2 dual-layer passivation stack on the n(+) emitter were fabricated. The highly conformal Al2O3 and TiO2 surface passivation layers were deposited on the high-aspect-ratio surface of the NBSi wafers using atomic layer deposition. Instead of the single Al2O3 passivation layer with a negative oxide charge density, the Al2O3/TiO2 dual-layer passivation stack treated with forming gas annealing provides a high positive oxide charge density and a low interfacial state density, which are essential for the effective field-effect and chemical passivation of the n(+) emitter. In addition, the Al2O3/TiO2 dual-layer passivation stack suppresses the total reflectance over a broad range of wavelengths (400-1000 nm). Therefore, with the Al2O3/TiO2 dual-layer passivation stack, the short-circuit current density and efficiency of the NBSi solar cell were increased by 11% and 20%, respectively. In conclusion, a high efficiency of 18.5% was achieved with the NBSi solar cells by using the n(+)-emitter/p-base structure passivated with the Al2O3/TiO2 stack.
Effect of argon implantation on solid-state dewetting: control of size and surface density of silicon nanocrystals.

PubMed

Almadori, Y; Borowik, Ł; Chevalier, N; Barbé, J-C

2017-01-27

Thermally induced solid-state dewetting of ultra-thin films on insulators is a process of prime interest, since it is capable of easily forming nanocrystals. If no particular treatment is performed to the film prior to the solid-state dewetting, it is already known that the size, the shape and the density of nanocrystals is governed by the initial film thickness. In this paper, we report a novel approach to control the size and the surface density of silicon nanocrystals based on an argon-implantation preliminary surface treatment. Using 7.5 nm thin layers of silicon, we show that increasing the implantation dose tends to form smaller silicon nanocrystals with diameter and height lower than 50 nm and 30 nm, respectively. Concomitantly, the surface density is increased by a factor greater than 20, going from 5 μm -2 to values over 100 μm -2 .
Bimetallic alloy electrocatalysts with multilayered platinum-skin surfaces

DOEpatents

Stamenkovic, Vojislav R.; Wang, Chao; Markovic, Nenad M.

2016-01-26

Compositions and methods of preparing a bimetallic alloy having enhanced electrocatalytic properties are provided. The composition comprises a PtNi substrate having a surface layer, a near-surface layer, and an inner layer, where the surface layer comprises a nickel-depleted composition, such that the surface layer comprises a platinum skin having at least one atomic layer of platinum.
Studies Of Oxidation And Thermal Reduction Of The Cu(100) Surface Using Positron Annihilation Induced Auger Electron Spectroscopy

NASA Astrophysics Data System (ADS)

Fazleev, N. G.; Nadesalingam, M. P.; Maddox, W.; Weiss, A. H.

2011-06-01

Positron annihilation induced Auger electron spectroscopy (PAES) measurements from the surface of an oxidized Cu(100) single crystal show a large increase in the intensity of the annihilation induced Cu M2,3VV Auger peak as the sample is subjected to a series of isochronal anneals in vacuum up to annealing temperature 300 °C. The PAES intensity then decreases monotonically as the annealing temperature is increased to ˜550 °C. Experimental positron annihilation probabilities with Cu 3p and O 1s core electrons are estimated from the measured intensities of the positron annihilation induced Cu M2,3VV and O KLL Auger transitions. PAES results are analyzed by performing calculations of positron surface states and annihilation probabilities of the surface-trapped positrons with relevant core electrons taking into account the charge redistribution at the surface and various surface structures associated with low and high oxygen coverages. The variations in atomic structure and chemical composition of the topmost layers of the oxidized Cu(100) surface are found to affect localization and spatial extent of the positron surface state wave function. The computed positron binding energy and annihilation characteristics reveal their sensitivity to charge transfer effects, atomic structure and chemical composition of the topmost layers of the oxidized Cu(100) surface. Theoretical positron annihilation probabilities with Cu 3p and O 1s core electrons computed for the oxidized Cu(100) surface are compared with experimental ones. The obtained results provide a demonstration of thermal reduction of the copper oxide surface after annealing at 300 °C followed by re-oxidation of the Cu(100) surface at higher annealing temperatures presumably due to diffusion of subsurface oxygen to the surface.
Studies Of Oxidation And Thermal Reduction Of The Cu(100) Surface Using Positron Annihilation Induced Auger Electron Spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fazleev, N. G.; Department of Physics, Kazan State University, Kazan 420008; Nadesalingam, M. P.

2011-06-01

Positron annihilation induced Auger electron spectroscopy (PAES) measurements from the surface of an oxidized Cu(100) single crystal show a large increase in the intensity of the annihilation induced Cu M2,3VV Auger peak as the sample is subjected to a series of isochronal anneals in vacuum up to annealing temperature 300 deg. C. The PAES intensity then decreases monotonically as the annealing temperature is increased to {approx}550 deg. C. Experimental positron annihilation probabilities with Cu 3p and O 1s core electrons are estimated from the measured intensities of the positron annihilation induced Cu M{sub 2,3}VV and O KLL Auger transitions. PAESmore » results are analyzed by performing calculations of positron surface states and annihilation probabilities of the surface-trapped positrons with relevant core electrons taking into account the charge redistribution at the surface and various surface structures associated with low and high oxygen coverages. The variations in atomic structure and chemical composition of the topmost layers of the oxidized Cu(100) surface are found to affect localization and spatial extent of the positron surface state wave function. The computed positron binding energy and annihilation characteristics reveal their sensitivity to charge transfer effects, atomic structure and chemical composition of the topmost layers of the oxidized Cu(100) surface. Theoretical positron annihilation probabilities with Cu 3p and O 1s core electrons computed for the oxidized Cu(100) surface are compared with experimental ones. The obtained results provide a demonstration of thermal reduction of the copper oxide surface after annealing at 300 deg. C followed by re-oxidation of the Cu(100) surface at higher annealing temperatures presumably due to diffusion of subsurface oxygen to the surface.« less
Characterizing Fluorocarbon Assisted Atomic Layer Etching of Si Using Cyclic Ar/C 4F 8 and Ar/CHF 3 Plasma

DOE PAGES

Metzler, Dominik; Li, Chen; Engelmann, Sebastian; ...

2016-09-08

With the increasing interest in establishing directional etching methods capable of atomic scale resolution for fabricating highly scaled electronic devices, the need for development and characterization of atomic layer etching (ALE) processes, or generally etch processes with atomic layer precision, is growing. In this work, a flux-controlled cyclic plasma process is used for etching of SiO 2 and Si at the Angstrom-level. This is based on steady-state Ar plasma, with periodic, precise injection of a fluorocarbon (FC) precursor (C 4F 8 and CHF 3), and synchronized, plasma-based Ar+ ion bombardment [D. Metzler et al., J Vac Sci Technol A 32,more » 020603 (2014), and D. Metzler et al., J Vac Sci Technol A 34, 01B101 (2016)]. For low energy Ar+ ion bombardment conditions, physical sputter rates are minimized, whereas material can be etched when FC reactants are present at the surface. This cyclic approach offers a large parameter space for process optimization. Etch depth per cycle, removal rates, and self-limitation of removal, along with material dependence of these aspects, were examined as a function of FC surface coverage, ion energy, and etch step length using in situ real time ellipsometry. The deposited FC thickness per cycle is found to have a strong impact on etch depth per cycle of SiO 2 and Si, but is limited with regard to control over material etching selectivity. Ion energy over the 20 to 30 eV range strongly impacts material selectivity. The choice of precursor can have a significant impact on the surface chemistry and chemically enhanced etching. CHF 3 has a lower FC deposition yield for both SiO 2 and Si, and also exhibits a strong substrate dependence of FC deposition yield, in contrast to C4F 8. The thickness of deposited FC layers using CHF 3 is found to be greater for Si than for SiO 2. X-ray photoelectron spectroscopy was used to study surface chemistry. When thicker FC films of 11 Å are employed, strong changes of FC film chemistry during a cycle are seen whereas the chemical state of the substrate varies much less. On the other hand, for FC film deposition of 5 Å for each cycle, strong substrate surface chemical changes are seen during an etching cycle. The nature of this cyclic etching with periodic deposition of thin FC films differs significantly from conventional etching with steady-state FC layers since surface conditions change strongly throughout each cycle.« less

Modelling hazardous surface hoar layers in the mountain snowpack over space and time

NASA Astrophysics Data System (ADS)

Horton, Simon Earl

Surface hoar layers are a common failure layer in hazardous snow slab avalanches. Surface hoar crystals (frost) initially form on the surface of the snow, and once buried can remain a persistent weak layer for weeks or months. Avalanche forecasters have difficulty tracking the spatial distribution and mechanical properties of these layers in mountainous terrain. This thesis presents numerical models and remote sensing methods to track the distribution and properties of surface hoar layers over space and time. The formation of surface hoar was modelled with meteorological data by calculating the downward flux of water vapour from the atmospheric boundary layer. The timing of surface hoar formation and the modelled crystal size was verified at snow study sites throughout western Canada. The major surface hoar layers over several winters were predicted with fair success. Surface hoar formation was modelled over various spatial scales using meteorological data from weather forecast models. The largest surface hoar crystals formed in regions and elevation bands with clear skies, warm and humid air, cold snow surfaces, and light winds. Field surveys measured similar regional-scale patterns in surface hoar distribution. Surface hoar formation patterns on different slope aspects were observed, but were not modelled reliably. Mechanical field tests on buried surface hoar layers found layers increased in shear strength over time, but had persistent high propensity for fracture propagation. Layers with large crystals and layers overlying hard melt-freeze crusts showed greater signs of instability. Buried surface hoar layers were simulated with the snow cover model SNOWPACK and verified with avalanche observations, finding most hazardous surface hoar layers were identified with a structural stability index. Finally, the optical properties of surface hoar crystals were measured in the field with spectral instruments. Large plate-shaped crystals were less reflective at shortwave infrared wavelengths than other common surface snow grains. The methods presented in this thesis were developed into operational products that model hazardous surface hoar layers in western Canada. Further research and refinements could improve avalanche forecasts in regions prone to hazardous surface hoar layers.
Behavior of Photocarriers in the Light-Induced Metastable State in the p-n Heterojunction of a Cu(In,Ga)Se2 Solar Cell with CBD-ZnS Buffer Layer.

PubMed

Lee, Woo-Jung; Yu, Hye-Jung; Wi, Jae-Hyung; Cho, Dae-Hyung; Han, Won Seok; Yoo, Jisu; Yi, Yeonjin; Song, Jung-Hoon; Chung, Yong-Duck

2016-08-31

We fabricated Cu(In,Ga)Se2 (CIGS) solar cells with a chemical bath deposition (CBD)-ZnS buffer layer grown with varying ammonia concentrations in aqueous solution. The solar cell performance was degraded with increasing ammonia concentration, due to actively dissolved Zn atoms during CBD-ZnS precipitation. These formed interfacial defect states, such as hydroxide species in the CBD-ZnS film, and interstitial and antisite Zn defects at the p-n heterojunction. After light/UV soaking, the CIGS solar cell performance drastically improved, with a rise in fill factor. With the Zn-based buffer layer, the light soaking treatment containing blue photons induced a metastable state and enhanced the CIGS solar cell performance. To interpret this effect, we suggest a band structure model of the p-n heterojunction to explain the flow of photocarriers under white light at the initial state, and then after light/UV soaking. The determining factor is a p+ defect layer, containing an amount of deep acceptor traps, located near the CIGS surface. The p+ defect layer easily captures photoexcited electrons, and then when it becomes quasi-neutral, attracts photoexcited holes. This alters the barrier height and controls the photocurrent at the p-n junction, and fill factor values, determining the solar cell performance.
Photoluminescence emission of nanoporous anodic aluminum oxide films prepared in phosphoric acid

PubMed Central

2012-01-01

The photoluminescence emission of nanoporous anodic aluminum oxide films formed in phosphoric acid is studied in order to explore their defect-based subband electronic structure. Different excitation wavelengths are used to identify most of the details of the subband states. The films are produced under different anodizing conditions to optimize their emission in the visible range. Scanning electron microscopy investigations confirm pore formation in the produced layers. Gaussian analysis of the emission data indicates that subband states change with anodizing parameters, and various point defects can be formed both in the bulk and on the surface of these nanoporous layers during anodizing. PMID:23272786
Heat transfer Effect by soil temperature changes under shallow groundwater in the Mu Us desert, Northern China

NASA Astrophysics Data System (ADS)

Qiao, X.; Lu, R.; Donghui, C.

2015-12-01

Soil temperature change is principle elements to biological growth, soil freeze or thawing process. A situ field was conducted in the Mu Us desert of Wushen Qi County, Inner Mongolia, to mainly monitor soil temperature, moisture content and groundwater level. The unconfined aquifer constituted by Quaternary fine eolian sand, groundwater level is 125cm. This paper, choosing date from May 1, 2013 to April 30, 2014, soil day temperature is conducted by 3:00, 6:00,till 24:00, vertical spacing including 2cm,5 cm、10 cm、15 cm、20 cm, 75cm,125cm,which its symbol is T10, T15, T20, T75, T125 respectively. Here, surface layer temperature TS calculated by soil temperature of 2-5cm depth. Due to only 5 minutes interval, this state was taken as a state one. (1) soil temperature has mixture change on surface layer and its temperature different is over 35 ℃. (2) Surface layer temperature changes of every month have three stages and its conducted heat, which calculated between TS and T10. Since TS exceeds T10 and heat transfer direction is from surface to underground in May, June and July 2013, even heat transfer amounts reduced by participation in July. However, TS is inferior to T10 and conduced heat direction reverse in August till to February 2014.Continually conduced heat start to next circulation and then it's heat direction from surface to underground due to TS exceeds T10 again in March and April 2014. (3) Temperature changes of phreatic water table every month have also three stages and its conducted heat which calculated between T75 and T125, heat transfer direction from unsaturated zone to saturated zone due to T75 exceeds T125 from May till middle September 2013. However, T75 is inferior to T125 and heat direction reverse from late September 2013 till May 2014, but conduced heat direction starts to change from unsaturated zone to saturated zone again in early April 2014.The result can imply shallow gruondwater has some contribution to surface layer temperature in different seasons.
Electrical Double Layer-Induced Ion Surface Accumulation for Ultrasensitive Refractive Index Sensing with Nanostructured Porous Silicon Interferometers.

PubMed

Mariani, Stefano; Strambini, Lucanos Marsilio; Barillaro, Giuseppe

2018-03-23

Herein, we provide the first experimental evidence on the use of electrical double layer (EDL)-induced accumulation of charged ions (using both Na + and K + ions in water as the model) onto a negatively charged nanostructured surface (e.g., thermally growth SiO 2 )-Ion Surface Accumulation, ISA-as a means of improving performance of nanostructured porous silicon (PSi) interferometers for optical refractometric applications. Nanostructured PSi interferometers are very promising optical platforms for refractive index sensing due to PSi huge specific surface (hundreds of m 2 per gram) and low preparation cost (less than $0.01 per 8 in. silicon wafer), though they have shown poor resolution ( R) and detection limit (DL) (on the order of 10 -4 -10 -5 RIU) compared to other plasmonic and photonic platforms ( R and DL on the order of 10 -7 -10 -8 RIU). This can be ascribed to both low sensitivity and high noise floor of PSi interferometers when bulk refractive index variation of the solution infiltrating the nanopores either approaches or is below 10 -4 RIU. Electrical double layer-induced ion surface accumulation (EDL-ISA) on oxidized PSi interferometers allows the interferometer output signal (spectral interferogram) to be impressively amplified at bulk refractive index variation below 10 -4 RIU, increasing, in turn, sensitivity up to 2 orders of magnitude and allowing reliable measurement of refractive index variations to be carried out with both DL and R of 10 -7 RIU. This represents a 250-fold-improvement (at least) with respect to the state-of-the-art literature on PSi refractometers and pushes PSi interferometer performance to that of state-of-the-art ultrasensitive photonics/plasmonics refractive index platforms.
State of the Oceans: A Satellite Data Processing System for Visualizing Near Real-Time Imagery on Google Earth

NASA Astrophysics Data System (ADS)

Thompson, C. K.; Bingham, A. W.; Hall, J. R.; Alarcon, C.; Plesea, L.; Henderson, M. L.; Levoe, S.

2011-12-01

The State of the Oceans (SOTO) web tool was developed at NASA's Physical Oceanography Distributed Active Archive Center (PO.DAAC) at the Jet Propulsion Laboratory (JPL) as an interactive means for users to visually explore and assess ocean-based geophysical parameters extracted from the latest archived data products. The SOTO system consists of four extensible modules, a data polling tool, a preparation and imaging package, image server software, and the graphical user interface. Together, these components support multi-resolution visualization of swath (Level 2) and gridded Level 3/4) data products as either raster- or vector- based KML layers on Google Earth. These layers are automatically updated periodically throughout the day. Current parameters available include sea surface temperature, chlorophyll concentration, ocean winds, sea surface height anomaly, and sea surface temperature anomaly. SOTO also supports mash-ups, allowing KML feeds from other sources to be overlaid directly onto Google Earth such as hurricane tracks and buoy data. A version of the SOTO software has also been installed at Goddard Space Flight Center (GSFC) to support the Land Atmosphere Near real-time Capability for EOS (LANCE). The State of the Earth (SOTE) has similar functionality to SOTO but supports different data sets, among them the MODIS 250m data product.
Oxidation State Discrimination in the Atomic Layer Deposition of Vanadium Oxides

DOE PAGES

Weimer, Matthew S.; Kim, In Soo; Guo, Peijun; ...

2017-06-02

We describe the use of a vanadium 3+ precursor for atomic layer deposition (ALD) of thin films that span the common oxidation states of vanadium oxides. Self-limiting surface synthesis of V 2O 3, VO 2, and V 2O 5 are realized via four distinct reaction mechanisms accessed via judicious choice of oxygen ALD partners. In situ quartz crystal microbalance and quadrupole mass spectrometry were used to study the reaction mechanism of the vanadium precursor with O 3, H 2O 2, H 2O/O 2, and H 2O 2/H 2. A clear distinction between non-oxidative protic ligand exchange and metal oxidation ismore » demonstrated through sequential surface reactions with different non-metal precursors. This synergistic effect, provides greater control of the resultant metal species in the film, as well as reactive surface species during growth. In an extension of this approach, we introduce oxidation state control through reducing equivalents of H 2 gas. When H 2 is dosed after H 2O 2 during growth, amorphous films of VO 2 are deposited that are readily crystallized with a low temperature anneal. These VO 2 films show a temperature dependent Raman spectroscopy response in the expected range and consistent with the well-known phase-change behavior of VO 2.« less
Theoretical aspects of graphene-like group IV semiconductors

NASA Astrophysics Data System (ADS)

Houssa, M.; van den Broek, B.; Scalise, E.; Ealet, B.; Pourtois, G.; Chiappe, D.; Cinquanta, E.; Grazianetti, C.; Fanciulli, M.; Molle, A.; Afanas'ev, V. V.; Stesmans, A.

2014-02-01

Silicene and germanene are the silicon and germanium counterparts of graphene, respectively. Recent experimental works have reported the growth of silicene on (1 1 1)Ag surfaces with different atomic configurations, depending on the growth temperature and surface coverage. We first theoretically study the structural and electronic properties of silicene on (1 1 1)Ag surfaces, focusing on the (4 × 4)silicene/Ag structure. Due to symmetry breaking in the silicene layer (nonequivalent number of top and bottom Si atoms), the corrugated silicene layer, with the Ag substrate removed, is predicted to be semiconducting, with a computed energy bandgap of about 0.3 eV. However, the hybridization between the Si 3p orbitals and the Ag 5s orbital in the silicene/(1 1 1)Ag slab model leads to an overall metallic system, with a distribution of local electronic density of states, which is related to the slightly disordered structure of the silicene layer on the (1 1 1)Ag surface. We next study the interaction of silicene and germanene with different hexagonal non-metallic substrates, namely ZnS and ZnSe. On reconstructed (0 0 0 1)ZnS or ZnSe surfaces, which should be more energetically stable for very thin layers, silicene and germanene are found to be semiconducting. Remarkably, the nature and magnitude of their energy bandgap can be controlled by an out-of-plane electric field, an important finding for the potential use of these materials in nanoelectronic devices.
Electronic characteristics of Tl 2Ba 2CuO 6. Fermi surface, positron wavefunction, electric field gradients, and transport parameters

NASA Astrophysics Data System (ADS)

Singh, David J.; Pickett, Warren E.

1992-12-01

A number of properties identifiable from the electronic bands and one-electron wavefunctions have been obtained from a well converged self-consistent calculation of the electronic structure of Tl 2Ba 2CuO 6. The Fermi surface is found to consist of two sheets: a two-dimensional barrel surface arising from the CuO 2 layer, and a three-dimensional spheroid arising from states with strong TlO character but actually extending throughout all layers of the structure. This feature has important implications for the transport properties, and especially for the degree of anisotropy. We compare with transport data on single crystals of Tl 2Ba 2CuO 6. The calculated Fermi surface of the spheroid is found to be in substantial agreement with the measured period of magnetization oscillations in the de Haas-van Alphen effect by Kido et al. The positron wavefunction engulfs the CuO 2 layers, making this material a promising case for mapping out with positron 2D-ACAR the layer-derived Fermi surface that is believed to be central to high-temperature superconductivity. The electric field gradients are predicted and compared with calculations for other cuprates. The Hall coefficient RHxyz (carrier motion on the a-b plane) is found to be positive and within a factor of 1.5 of that measured on ceramic samples, while the other non-vanishing component of the Hall tensor is predicted to be negative.
Probing topological Fermi-Arcs and bulk boundary correspondence in the Weyl semimetal TaAs

NASA Astrophysics Data System (ADS)

Batabyal, Rajib; Morali, Noam; Avraham, Nurit; Sun, Yan; Schmidt, Marcus; Felser, Claudia; Stern, Ady; Yan, Binghai; Beidenkopf, Haim

The relation between surface Fermi-arcs and bulk Weyl cones in a Weyl semimetal, uniquely allows to study the notion of bulk to surface correspondence. We visualize these topological Fermi arc states on the surface of the Weyl semi-metal tantalum arsenide using scanning tunneling spectroscopy. Its surface hosts 12 Fermi arcs amongst several other surface bands of non-topological origin. We detect the possible scattering processes of surface bands in which Fermi arcs are involved including intra- and inter arc scatterings and arc-trivial scatterings. Each of the measured scattering processes entails additional information on the unique nature of Fermi arcs in tantalum arsenide: their contour, their energy-momentum dispersion and its relation with the bulk Weyl nodes. We further identify a sharp distinction between the wave function's spatial distribution of topological versus trivial bands. The non-topological surface bands, which are derived from the arsenic dangling bonds, are tightly bound to the arsenic termination layer. In contrast, the Fermi-arc bands reside on the deeper tantalum layer, penetrating into the bulk, which is predominantly derived from tantalum orbitals.
Evaluation of real-time high-resolution MM5 predictions over the Great Lakes region

Treesearch

Shiyuan Zhong; Hee-Jin In; Xindi Bian; Joseph Charney; Warren Heilman; Brian Potter

2005-01-01

Real-time high-resolution mesoscale predictions using the fifth-generation Pennsylvania State UniversityâNCAR Mesoscale Model (MM5) over the Great Lakes region are evaluated for the 2002/03 winter and 2003 summer seasons using surface and upper-air observations, with a focus on near-surface and boundary layer properties that are important for applications such as air...
Solid-state Bonding of Superplastic Aluminum Alloy 7475 Sheet

NASA Technical Reports Server (NTRS)

Byun, T. D. S.; Vastava, R. B.

1985-01-01

Experimental works were carried out to study the feasibility of solid state bonding of superplastic aluminum 7475 sheet. Amount of deformation, bonding time, surface cleaning method and intermediate layer were the process parameters investigated. Other parameters, held constant by the superplastic forming condition which is required to obtain a concurrent solid state bonding, are bonding temperature, bonding pressure and atmosphere. Bond integrity was evaluated through metallographic examination, X-ray line scan analysis, SEM fractographic analysis and lap shear tests. The early results of the development program indicated that sound solid state bonding was accomplished for this high strength 7475 alloy with significant amounts of deformation. A thin intermediate layer of the soft 5052 aluminum alloy aided in achieving a solid state bonding by reducing the required amount of plastic deformation at the interface. Bond strength was substantially increased by a post bond heat treatment.
A molecular investigation of adsorption onto mineral pigments

NASA Astrophysics Data System (ADS)

Ninness, Brian J.

Pigment suspensions are important in several processes such as ceramics, paints, inks, and coatings. In the wet state, pigments are combined with a variety of chemical species such as polymers, surfactants, and polyelectrolytes which produce a complex colloidal system. The adsorption, desorption, and redistribution of these species at the pigment-aqueous solution interface can have an impact on the behavior in both the wet state or its final dried state. The goal of this work is to establish a molecular picture of the adsorption properties of these pigmented systems. A novel in situ infrared technique has been developed which allows the detection of adsorbed surface species on pigment particles in an aqueous environment. The technique involves the use of a polymeric binder to anchor the colloidal pigment particles to the surface of an internal reflection element (IRE). The binder only weakly perturbs about 25% of the reactive surface sites (hydroxyl groups) on silica. The reaction of succinic anhydride with an aminosilanized silica surface has been quantified using this technique. The adsorption dynamics of the cationic surfactant cetyltrimethylammonium bromide (C16TAB) at the TiO2-aqueous solution interface has been investigated using Fourier transform infrared-attenuated total reflection spectroscopy (FTIR-ATR) and electrokinetic analysis. At low bulk concentrations, C16TAB is shown to adsorb as isolated islands with a "defective" bilayer structure. Anionic probe molecules are shown to effectively "tune" the adsorbed surfactant microstructure. The results indicate that the structure of the adsorbed surfactant layer, and not the amount of adsorbed surfactant, dictates the subsequent adsorption behavior of the system. Atomic Layer Deposition is used to deposit a TiO2 layer onto the surfaces of silica and kaolin pigments. The process involves the cyclic reaction sequence of the vapors of TiCl4 and H2O. Three complete deposition cycles are needed before the surfaces of the modified pigments are dominated by the presence of TiO2. The modified kaolin pigments display increased dispersion stability as compared to the parent kaolin. The electrokinetic behavior of the modified kaolin is shown to be identical to that of pure TiO2 pigments.
Controlling Heterogeneous Catalysis of Water Dissociation Using Cu-Ni Bimetallic Alloy Surfaces: A Quantum Dynamics Study.

PubMed

Ray, Dhiman; Ghosh, Smita; Tiwari, Ashwani Kumar

2018-06-07

Copper-Nickel bimetallic alloys are emerging heterogeneous catalysts for water dissociation which is the rate determining step of industrially important Water Gas Shift (WGS) reaction. Yet, the detailed quantum dynamics studies of water-surface scattering in literature are limited to pure metal surfaces. We present here, a three dimensional wave-packet dynamics study of water dissociation on Cu-Ni alloy surfaces, using a pseudo diatomic model of water on a London-Eyring-Polanyi-Sato (LEPS) potential energy surface in order to study the effect of initial vibration, rotation and orientation of water molecule on reactivity. For all the chosen surfaces reactivity increases significantly with vibrational excitation. In general, for lower vibrational states the reactivity increases with increasing rotational excitation but it decreases in higher vibrational states. Molecular orientation strongly affects reactivity by helping the molecule to align along the reaction path at higher vibrational states. For different alloys, the reaction probability follows the trend of barrier heights and the surfaces having all Ni atoms in the uppermost layer are much more reactive than the ones with Cu atoms. Hence the nature of the alloy surface and initial quantum state of the incoming molecule significantly influence the reactivity in surface catalyzed water dissociation.
Closing the Seasonal Ocean Surface Temperature Balance in the Eastern Tropical Oceans from Remote Sensing and Model Reanalyses

NASA Technical Reports Server (NTRS)

Roberts, J. Brent; Clayson, Carol A.

2012-01-01

The Eastern tropical ocean basins are regions of significant atmosphere-ocean interaction and are important to variability across subseasonal to decadal time scales. The numerous physical processes at play in these areas strain the abilities of coupled general circulation models to accurately reproduce observed upper ocean variability. Furthermore, limitations in the observing system of important terms in the surface temperature balance (e.g., turbulent and radiative heat fluxes, advection) introduce uncertainty into the analyses of processes controlling sea surface temperature variability. This study presents recent efforts to close the surface temperature balance through estimation of the terms in the mixed layer temperature budget using state-of-the-art remotely sensed and model-reanalysis derived products. A set of twelve net heat flux estimates constructed using combinations of radiative and turbulent heat flux products - including GEWEX-SRB, ISCCP-SRF, OAFlux, SeaFlux, among several others - are used with estimates of oceanic advection, entrainment, and mixed layer depth variability to investigate the seasonal variability of ocean surface temperatures. Particular emphasis is placed on how well the upper ocean temperature balance is, or is not, closed on these scales using the current generation of observational and model reanalysis products. That is, the magnitudes and spatial variability of residual imbalances are addressed. These residuals are placed into context within the current uncertainties of the surface net heat fluxes and the role of the mixed layer depth variability in scaling the impact of those uncertainties, particularly in the shallow mixed layers of the Eastern tropical ocean basins.
Modeling and in Situ Probing of Surface Reactions in Atomic Layer Deposition.

PubMed

Zheng, Yuanxia; Hong, Sungwook; Psofogiannakis, George; Rayner, G Bruce; Datta, Suman; van Duin, Adri C T; Engel-Herbert, Roman

2017-05-10

Atomic layer deposition (ALD) has matured into a preeminent thin film deposition technique by offering a highly scalable and economic route to integrate chemically dissimilar materials with excellent thickness control down to the subnanometer regime. Contrary to its extensive applications, a quantitative and comprehensive understanding of the reaction processes seems intangible. Complex and manifold reaction pathways are possible, which are strongly affected by the surface chemical state. Here, we report a combined modeling and experimental approach utilizing ReaxFF reactive force field simulation and in situ real-time spectroscopic ellipsometry to gain insights into the ALD process of Al 2 O 3 from trimethylaluminum and water on hydrogenated and oxidized Ge(100) surfaces. We deciphered the origin for the different peculiarities during initial ALD cycles for the deposition on both surfaces. While the simulations predicted a nucleation delay for hydrogenated Ge(100), a self-cleaning effect was discovered on oxidized Ge(100) surfaces and resulted in an intermixed Al 2 O 3 /GeO x layer that effectively suppressed oxygen diffusion into Ge. In situ spectroscopic ellipsometry in combination with ex situ atomic force microscopy and X-ray photoelectron spectroscopy confirmed these simulation results. Electrical impedance characterizations evidenced the critical role of the intermixed Al 2 O 3 /GeO x layer to achieve electrically well-behaved dielectric/Ge interfaces with low interface trap density. The combined approach can be generalized to comprehend the deposition and reaction kinetics of other ALD precursors and surface chemistry, which offers a path toward a theory-aided rational design of ALD processes at a molecular level.
The effects of surface pretreatment and nitrogen tetroxide purification on the corrosion rate of Type 304L stainless steel

NASA Technical Reports Server (NTRS)

Blue, G. D.; Moran, C. M.

1985-01-01

Corrosion rates of 304L stainless steel coupons in MON-1 oxidizer have been measured as a function of cleaning procedures employed, surface layer positions, propellant impurity levels, and short-term exposure durations (14 to 90 days). Of special interest was propellant contamination by buildup of soluble iron, which may cause flow decay. Surface treatments employed were combinations of cleaning, pickling, and passivation procedures. Propellants used were MIL-SPEC MON-1 and several types of purified NTO (i.e., low water, low chloride) which may, at a later time, be specified as spacecraft grade. Pretest coupon surface analysis by X-ray photoelectron spectroscopy (XPS-ESCA) has revealed important differences, for the different cleaning procedures, in the make-up of the surface layer, both in composition and state of chemical combination of the elements involved. Comparisons will be made of XPS/ESCA data, for different cleaning procedures, for specimens before and after propellant exposure.
Electronic structure of BaO/W cathode surfaces

NASA Technical Reports Server (NTRS)

Muller, Wolfgang

1989-01-01

The local electronic structure of the emissive layer of barium dispenser thermionic cathodes is investigated theoretically using the relativistic scattered-wave approach. The interaction of Ba and O with W, Os, and W-Os alloy surfaces is studied with atomic clusters modeling different absorption environments representative of B- and M-type cathodes. Ba is found to be strongly oxidized, while O and the metal substrate are in a reduced chemical state. The presence of O enhances the surface dipole and Ba binding energy relative to Ba on W. Model results for W-Os alloy substrates show only relatively small changes in Ba and O for identical geometries, but very large charge redistributions inside the substrate, which are attributed to the electronegativity difference between Os and W. If Os is present in the surface layer, the charge transfer from Ba to the substrate and the Ba binding energy increase relative to W. Explanations are offered for the improved electron emission from alloy surfaces and the different emission enhancement for different alloy substrates.
Strain Engineering of Epitaxially Transferred, Ultrathin Layers of III-V Semiconductor on Insulator

DTIC Science & Technology

2011-01-01

The structure of the source wafer is shown schematically in Fig. 2a, with both InAs and AlGaSb layers coherently strained to the GaSb 001...is due to the surface plasmon-LO phonon FIG. 2. Color online a The structure of GaSb /AlGaSb/InAs source wafer with an assumed strain state for...insulator layers obtained from an epitaxial transfer process is studied. The as-grown InAs epilayer 10–20 nm thick on the GaSb /AlGaSb source wafer has the
Theoretical investigation of the activity of cobalt oxides for the electrochemical oxidation of water.

PubMed

Bajdich, Michal; García-Mota, Mónica; Vojvodic, Aleksandra; Nørskov, Jens K; Bell, Alexis T

2013-09-11

The presence of layered cobalt oxides has been identified experimentally in Co-based anodes under oxygen-evolving conditions. In this work, we report the results of theoretical investigations of the relative stability of layered and spinel bulk phases of Co oxides, as well as the stability of selected surfaces as a function of applied potential and pH. We then study the oxygen evolution reaction (OER) on these surfaces and obtain activity trends at experimentally relevant electro-chemical conditions. Our calculated volume Pourbaix diagram shows that β-CoOOH is the active phase where the OER occurs in alkaline media. We calculate relative surface stabilities and adsorbate coverages of the most stable low-index surfaces of β-CoOOH: (0001), (0112), and (1014). We find that at low applied potentials, the (1014) surface is the most stable, while the (0112) surface is the more stable at higher potentials. Next, we compare the theoretical overpotentials for all three surfaces and find that the (1014) surface is the most active one as characterized by an overpotential of η = 0.48 V. The high activity of the (1014) surface can be attributed to the observation that the resting state of Co in the active site is Co(3+) during the OER, whereas Co is in the Co(4+) state in the less active surfaces. Lastly, we demonstrate that the overpotential of the (1014) surface can be lowered further by surface substitution of Co by Ni. This finding could explain the experimentally observed enhancement in the OER activity of Ni(y)Co(1-y)O(x) thin films with increasing Ni content. All energetics in this work were obtained from density functional theory using the Hubbard-U correction.

High-Efficiency Photovoltaic Devices using Trap-Controlled Quantum-Dot Ink prepared via Phase-Transfer Exchange.

PubMed

Aqoma, Havid; Al Mubarok, Muhibullah; Hadmojo, Wisnu Tantyo; Lee, Eun-Hye; Kim, Tae-Wook; Ahn, Tae Kyu; Oh, Seung-Hwan; Jang, Sung-Yeon

2017-05-01

Colloidal-quantum-dot (CQD) photovoltaic devices are promising candidates for low-cost power sources owing to their low-temperature solution processability and bandgap tunability. A power conversion efficiency (PCE) of >10% is achieved for these devices; however, there are several remaining obstacles to their commercialization, including their high energy loss due to surface trap states and the complexity of the multiple-step CQD-layer-deposition process. Herein, high-efficiency photovoltaic devices prepared with CQD-ink using a phase-transfer-exchange (PTE) method are reported. Using CQD-ink, the fabrication of active layers by single-step coating and the suppression of surface trap states are achieved simultaneously. The CQD-ink photovoltaic devices achieve much higher PCEs (10.15% with a certified PCE of 9.61%) than the control devices (7.85%) owing to improved charge drift and diffusion. Notably, the CQD-ink devices show much lower energy loss than other reported high-efficiency CQD devices. This result reveals that the PTE method is an effective strategy for controlling trap states in CQDs. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Topological Insulators in Ternary Compounds with a Honeycomb Lattice

NASA Astrophysics Data System (ADS)

Zhang, Hai-Jun; Chadov, Stanislav; Muchler, Lukas; Yan, Binghai; Qi, Xiao-Liang; Kübler, Jürgen; Zhang, Shou-Cheng; Felser, Claudia

2011-03-01

One of the most exciting subjects in solid state physics is a single layer of graphite which exhibits a variety of unconventional novel properties. The key feature of its electronic structure are linear dispersive bands which cross in a single point at the Fermi energy. This is so-called Dirac cone. The ternary compounds, such as LiAuSe and KHgSb with a honeycomb structure of their Au-Se and Hg-Sb layers feature band inversion very similar to HgTe which is a strong precondition for existence of the topological surface states. These materials exhibit the surface states formed by only a single Dirac cone at the G point together with the small direct band gap opened by a strong spin-orbit coupling (SOC) in the bulk. These materials are centro-symmetric, therefore, it is possible to determine the parity of their wave functions, and hence, their topological character. The work was supported by the supercomputing center at Stanford Institute Materials and Energy Science. The financial support of the DFG/ASPIMATT project (unit 1.2-A) is gratefully acknowledged.
Symmorphic Intersecting Nodal Rings in Semiconducting Layers

NASA Astrophysics Data System (ADS)

Gong, Cheng; Xie, Yuee; Chen, Yuanping; Kim, Heung-Sik; Vanderbilt, David

2018-03-01

The unique properties of topological semimetals have strongly driven efforts to seek for new topological phases and related materials. Here, we identify a critical condition for the existence of intersecting nodal rings (INRs) in symmorphic crystals, and further classify all possible kinds of INRs which can be obtained in the layered semiconductors with Amm2 and Cmmm space group symmetries. Several honeycomb structures are suggested to be topological INR semimetals, including layered and "hidden" layered structures. Transitions between the three types of INRs, named as α , β , and γ type, can be driven by external strains in these structures. The resulting surface states and Landau-level structures, more complicated than those resulting from a simple nodal loop, are also discussed.
Protecting the surface of a light absorber in a photoanode

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hu, Shu; Lewis, Nathan S.

A photoanode includes a passivation layer on a light absorber. The passivation layer is more resistant to corrosion than the light absorber. The photoanode includes a surface modifying layer that is location on the passivation layer such that the passivation layer is between the light absorber and the surface modifying layer. The surface modifying layer reduces a resistance of the passivation layer to conduction of holes out of the passivation layer.
Evidence for a positron bound state on the surface of a topological insulator

NASA Astrophysics Data System (ADS)

Shastry, K.; Weiss, A. H.; Barbiellini, B.; Assaf, B. A.; Lim, Z. H.; Joglekar, P. V.; Heiman, D.

2015-06-01

We describe experiments aimed at probing the sticking of positrons to the surfaces of topological insulators using the Positron Annihilation induced Auger Electron Spectrometer (PAES). A magnetically guided beam was used to deposit positrons at the surface of Bi2Te2Se sample at energy of ∼2eV. Peaks observed in the energy spectra and intensities of electrons emitted as a result of positron annihilation showed peaks at energies corresponding to Auger peaks in Bi, Teand Se providing clear evidence of Auger emission associated with the annihilation of positrons in a surface bound state. Theoretical estimates of the binding energy of this state are compared with estimates obtained by measuring the incident beam energy threshold for secondary electron emission and the temperature dependence positronium(Ps) emission. The experiments provide strong evidence for the existence of a positron bound state at the surface of Bi2Te2Se and indicate the practicality of using positron annihilation to selectively probe the critically important top most layer of topological insulator system.
Fundamentals of metasurface lasers based on resonant dark states

NASA Astrophysics Data System (ADS)

Droulias, Sotiris; Jain, Aditya; Koschny, Thomas; Soukoulis, Costas M.

2017-10-01

Recently, our group proposed a metamaterial laser design based on explicitly coupled dark resonant states in low-loss dielectrics, which conceptually separates the gain-coupled resonant photonic state responsible for macroscopic stimulated emission from the coupling to specific free-space propagating modes, allowing independent adjustment of the lasing state and its coherent radiation output. Due to this functionality, it is now possible to make lasers that can overcome the trade-off between system dimensions and Q factor, especially for surface emitting lasers with deeply subwavelength thickness. Here, we give a detailed discussion of the key functionality and benefits of this design, such as radiation damping tunability, directionality, subwavelength integration, and simple layer-by-layer fabrication. We examine in detail the fundamental design tradeoffs that establish the principle of operation and must be taken into account and give guidance for realistic implementations.
Sea State and Boundary Layer Physics of the Emerging Arctic Ocean

DTIC Science & Technology

2013-09-01

meteorological stations; weather observations; upper-air (rawinsondes, balloons and tethered kit); turbulent fluxes; radiation; surface temperature...remote sensing, in-field remote sensing will be employed, using small unmanned aerial vehicles (UAV), balloons , and manned aircraft (funded by other
Sub-nanometer glass surface dynamics induced by illumination

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nguyen, Duc; Nienhaus, Lea; Beckman Institute, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801

2015-06-21

Illumination is known to induce stress and morphology changes in opaque glasses. Amorphous silicon carbide (a-SiC) has a smaller bandgap than the crystal. Thus, we were able to excite with 532 nm light a 1 μm amorphous surface layer on a SiC crystal while recording time-lapse movies of glass surface dynamics by scanning tunneling microscopy (STM). Photoexcitation of the a-SiC surface layer through the transparent crystal avoids heating the STM tip. Up to 6 × 10{sup 4} s, long movies of surface dynamics with 40 s time resolution and sub-nanometer spatial resolution were obtained. Clusters of ca. 3-5 glass formingmore » units diameter are seen to cooperatively hop between two states at the surface. Photoexcitation with green laser light recruits immobile clusters to hop, rather than increasing the rate at which already mobile clusters hop. No significant laser heating was observed. Thus, we favor an athermal mechanism whereby electronic excitation of a-SiC directly controls glassy surface dynamics. This mechanism is supported by an exciton migration-relaxation-thermal diffusion model. Individual clusters take ∼1 h to populate states differently after the light intensity has changed. We believe the surrounding matrix rearranges slowly when it is stressed by a change in laser intensity, and clusters serve as a diagnostic. Such cluster hopping and matrix rearrangement could underlie the microscopic mechanism of photoinduced aging of opaque glasses.« less
Topological Material-Based Spin Devices

NASA Astrophysics Data System (ADS)

Zhang, Minhao; Wang, Xuefeng

Three-dimensional topological insulators have insulating bulk and gapless helical surface states. One of the most fascinating properties of the metallic surface states is the spin-momentum helical locking. The giant current-driven torques on the magnetic layer have been discovered in TI/ferromagnet bilayers originating from the spin-momentum helical locking, enabling the efficient magnetization switching with a low current density. We demonstrated the current-direction dependent on-off state in TIs-based spin valve devices for memory and logic applications. Further, we demonstrated the Bi2Se3 system will go from a topologically nontrivial state to a topologically trivial state when Bi atoms are replaced by lighter In atoms. Here, topologically trivial metal (BixIny)2 Se3 with high mobility also facilitates the realization of its application in multifunctional spintronic devices.
Intrinsic two-dimensional states on the pristine surface of tellurium

NASA Astrophysics Data System (ADS)

Li, Pengke; Appelbaum, Ian

2018-05-01

Atomic chains configured in a helical geometry have fascinating properties, including phases hosting localized bound states in their electronic structure. We show how the zero-dimensional state—bound to the edge of a single one-dimensional helical chain of tellurium atoms—evolves into two-dimensional bands on the c -axis surface of the three-dimensional trigonal bulk. We give an effective Hamiltonian description of its dispersion in k space by exploiting confinement to a virtual bilayer, and elaborate on the diminished role of spin-orbit coupling. These intrinsic gap-penetrating surface bands were neglected in the interpretation of seminal experiments, where two-dimensional transport was otherwise attributed to extrinsic accumulation layers.
Surface/interface effects on high-performance thin-film all-solid-state Li-ion batteries

DOE PAGES

Gong, Chen; Ruzmetov, Dmitry; Pearse, Alexander; ...

2015-10-05

The further development of all-solid-state batteries is still limited by the understanding/engineering of the interfaces formed upon cycling. Here, we correlate the morphological, chemical, and electrical changes of the surface of thin-film devices with Al negative electrodes. The stable Al–Li–O alloy formed at the stress-free surface of the electrode causes rapid capacity fade, from 48.0 to 41.5 μAh/cm 2 in two cycles. Surprisingly, the addition of a Cu capping layer is insufficient to prevent the device degradation. Furthermore, Si electrodes present extremely stable cycling, maintaining >92% of its capacity after 100 cycles, with average Coulombic efficiency of 98%.
Transport mechanism of reverse surface leakage current in AlGaN/GaN high-electron mobility transistor with SiN passivation

NASA Astrophysics Data System (ADS)

Zheng, Xue-Feng; Fan, Shuang; Chen, Yong-He; Kang, Di; Zhang, Jian-Kun; Wang, Chong; Mo, Jiang-Hui; Li, Liang; Ma, Xiao-Hua; Zhang, Jin-Cheng; Hao, Yue

2015-02-01

The transport mechanism of reverse surface leakage current in the AlGaN/GaN high-electron mobility transistor (HEMT) becomes one of the most important reliability issues with the downscaling of feature size. In this paper, the research results show that the reverse surface leakage current in AlGaN/GaN HEMT with SiN passivation increases with the enhancement of temperature in the range from 298 K to 423 K. Three possible transport mechanisms are proposed and examined to explain the generation of reverse surface leakage current. By comparing the experimental data with the numerical transport models, it is found that neither Fowler-Nordheim tunneling nor Frenkel-Poole emission can describe the transport of reverse surface leakage current. However, good agreement is found between the experimental data and the two-dimensional variable range hopping (2D-VRH) model. Therefore, it is concluded that the reverse surface leakage current is dominated by the electron hopping through the surface states at the barrier layer. Moreover, the activation energy of surface leakage current is extracted, which is around 0.083 eV. Finally, the SiN passivated HEMT with a high Al composition and a thin AlGaN barrier layer is also studied. It is observed that 2D-VRH still dominates the reverse surface leakage current and the activation energy is around 0.10 eV, which demonstrates that the alteration of the AlGaN barrier layer does not affect the transport mechanism of reverse surface leakage current in this paper. Project supported by the National Natural Science Foundation of China (Grant Nos. 61334002, 61106106, and 61474091), the Opening Project of Science and Technology on Reliability Physics and Application Technology of Electronic Component Laboratory, China (Grant No. ZHD201206), the New Experiment Development Funds for Xidian University, China (Grant No. SY1213), the 111 Project, China (Grant No. B12026), the Scientific Research Foundation for the Returned Overseas Chinese Scholars, State Education Ministry, China, and the Fundamental Research Funds for the Central Universities, China (Grant No. K5051325002).
Capacitive charge generation apparatus and method for testing circuits

DOEpatents

Cole, E.I. Jr.; Peterson, K.A.; Barton, D.L.

1998-07-14

An electron beam apparatus and method for testing a circuit are disclosed. The electron beam apparatus comprises an electron beam incident on an outer surface of an insulating layer overlying one or more electrical conductors of the circuit for generating a time varying or alternating current electrical potential on the surface; and a measurement unit connected to the circuit for measuring an electrical signal capacitively coupled to the electrical conductors to identify and map a conduction state of each of the electrical conductors, with or without an electrical bias signal being applied to the circuit. The electron beam apparatus can further include a secondary electron detector for forming a secondary electron image for registration with a map of the conduction state of the electrical conductors. The apparatus and method are useful for failure analysis or qualification testing to determine the presence of any open-circuits or short-circuits, and to verify the continuity or integrity of electrical conductors buried below an insulating layer thickness of 1-100 {micro}m or more without damaging or breaking down the insulating layer. The types of electrical circuits that can be tested include integrated circuits, multi-chip modules, printed circuit boards and flexible printed circuits. 7 figs.
Capacitive charge generation apparatus and method for testing circuits

DOEpatents

Cole, Jr., Edward I.; Peterson, Kenneth A.; Barton, Daniel L.

1998-01-01

An electron beam apparatus and method for testing a circuit. The electron beam apparatus comprises an electron beam incident on an outer surface of an insulating layer overlying one or more electrical conductors of the circuit for generating a time varying or alternating current electrical potential on the surface; and a measurement unit connected to the circuit for measuring an electrical signal capacitively coupled to the electrical conductors to identify and map a conduction state of each of the electrical conductors, with or without an electrical bias signal being applied to the circuit. The electron beam apparatus can further include a secondary electron detector for forming a secondary electron image for registration with a map of the conduction state of the electrical conductors. The apparatus and method are useful for failure analysis or qualification testing to determine the presence of any open-circuits or short-circuits, and to verify the continuity or integrity of electrical conductors buried below an insulating layer thickness of 1-100 .mu.m or more without damaging or breaking down the insulating layer. The types of electrical circuits that can be tested include integrated circuits, multi-chip modules, printed circuit boards and flexible printed circuits.
Convective and global stability analysis of a Mach 5.8 boundary layer grazing a compliant surface

NASA Astrophysics Data System (ADS)

Dettenrieder, Fabian; Bodony, Daniel

2016-11-01

Boundary layer transition on high-speed vehicles is expected to be affected by unsteady surface compliance. The stability properties of a Mach 5.8 zero-pressure-gradient laminar boundary layer grazing a nominally-flat thermo-mechanically compliant panel is considered. The linearized compressible Navier-Stokes equations describe small amplitude disturbances in the fluid while the panel deformations are described by the Kirchhoff-Love plate equation and its thermal state by the transient heat equation. Compatibility conditions that couple disturbances in the fluid to those in the solid yield simple algebraic and robin boundary conditions for the velocity and thermal states, respectively. A local convective stability analysis shows that the panel can modify both the first and second Mack modes when, for metallic-like panels, the panel thickness exceeds the lengthscale δ99 Rex- 0 . 5 . A global stability analysis, which permits finite panel lengths with clamped-clamped boundary conditions, shows a rich eigenvalue spectrum with several branches. Unstable modes are found with streamwise-growing panel deformations leading to Mach wave-type radiation. Stable global modes are also found and have distinctly different panel modes but similar radiation patterns. Air Force Office of Scientific Research.
Time-resolved X-ray Absorption Spectroscopy for Electron Transport Study in Warm Dense Gold

NASA Astrophysics Data System (ADS)

Lee, Jong-Won; Bae, Leejin; Engelhorn, Kyle; Heimann, Philip; Ping, Yuan; Barbrel, Ben; Fernandez, Amalia; Beckwith, Martha Anne; Cho, Byoung-Ick; GIST Team; IBS Team; LBNL Collaboration; SLAC Collaboration; LLNL Collaboration

2015-11-01

The warm dense Matter represents states of which the temperature is comparable to Fermi energy and ions are strongly coupled. One of the experimental techniques to create such state in the laboratory condition is the isochoric heating of thin metal foil with femtosecond laser pulses. This concept largely relies on the ballistic transport of electrons near the Fermi-level, which were mainly studied for the metals in ambient conditions. However, they were barely investigated in warm dense conditions. We present a time-resolved x-ray absorption spectroscopy measured for the Au/Cu dual layered sample. The front Au layer was isochorically heated with a femtosecond laser pulse, and the x-ray absorption changes around L-edge of Cu, which was attached on the backside of Au, was measured with a picosecond resolution. Time delays between the heating of the `front surface' of Au layer and the alternation of x-ray spectrum of Cu attached on the `rear surface' of Au indicate the energetic electron transport mechanism through Au in the warm dense conditions. IBS (IBS-R012-D1) and the NRF (No. 2013R1A1A1007084) of Korea.
Multilayered disease-mimicking bladder phantom with realistic surface topology for optical coherence tomography

NASA Astrophysics Data System (ADS)

Smith, Gennifer T.; Lurie, Kristen L.; Khan, Saara A.; Liao, Joseph C.; Ellerbee, Audrey K.

2014-03-01

Optical coherence tomography (OCT) has shown potential as a complementary modality to white light cystoscopy (WLC), the gold standard for imaging bladder cancer. OCT can visualize sub-surface details of the bladder wall, which enables it to stage cancers and detect tumors that are otherwise invisible to WLC. Currently, OCT systems have too slow a speed and too small a field of view for comprehensive bladder imaging, which limits its clinical utility. Validation and feasibility testing of technological refinements aimed to provide faster imaging and wider fields of view necessitates a realistic bladder phantom. We present a novel process to fabricate the first such phantom that mimics both the optical and morphological properties of layers of the healthy and pathologic bladder wall as they characteristically appear with OCT. The healthy regions of the silicone-based phantom comprises three layers: the urothelium, lamina propria and muscularis propria, each containing an appropriate concentration of titanium dioxide to mimic its distinct scattering properties. As well, the layers each possess a unique surface appearance imposed by a textured mold. Within this phantom, pathologic tissue-mimicking regions are created by thickening specific layers or creating inclusions that disrupt the layered appearance of the bladder wall, as is characteristic of bladder carcinomas. This phantom can help to evaluate the efficacy of new OCT systems and software for tumor localization. Moreover, the procedure we have developed is highly generalizable for the creation of OCT-relevant, multi-layer phantoms for tissues that incorporate diseased states characterized by the loss of layered structures.
Characterization of the dynamics of surface stabilized ferroelectric liquid crystal under electric field by full optical snapshot matrix Mueller polarimeter

NASA Astrophysics Data System (ADS)

Silva, Vinicius N. H.; Babilotte, Philippe; Rivet, Sylvain; Dubreuil, Mathieu; Le Jeune, Bernard; Dupont, Laurent

2012-12-01

We investigated the layer dynamics of a conventional surface-stabilized ferroelectric liquid crystal (SSFLC) using a full-optical snapshot Mueller matrix polarimeter (SMMP) based on wavelength polarization coding. Time-resolved polarimetric measurements were performed with different SSFLC samples, and a strong correlation between the polarimetric parameters and the SSFLC under electric field at different exposure times was found. It has been shown that the SMMP polarimeter is able to determine the evolution of the trajectory of the liquid crystal director between the two addressed states, the reversible motion of the smectic layer while switching, as well as the irreversible transition from chevron to bookshelf texture.
Band bending at ferroelectric surfaces and interfaces investigated by x-ray photoelectron spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Apostol, Nicoleta Georgiana, E-mail: nicoleta.apostol@infim.ro

2014-11-24

This work reports on the use of X-ray photoelectron spectroscopy to quantify band bending at ferroelectric free surfaces and at their interfaces with metals. Surfaces exhibiting out-of-plane ferroelectric polarization are characterized by a band bending, due to the formation of a dipole layer at the surface, composed by the uncompensated polarization charges (due to ionic displacement) and to the depolarization charge sheet of opposite sign, composed by mobile charge carriers, which migrate near surface, owing to the depolarization electric field. To this surface band bending due to out-of-plane polarization states, metal-semiconductor Schottky barriers must be considered additionally when ferroelectrics aremore » covered by metal layers. It is found that the net band bending is not always an algebraic sum of the two effects discussed above, since sometimes the metal is able to provide additional charge carriers, which are able to fully compensate the surface charge of the ferroelectric, up to the vanishing of the ferroelectric band bending. The two cases which will be discussed in more detail are Au and Cu deposited by molecular beam epitaxy on PbZr{sub 0.2}Ti{sub 0.8}O{sub 3}(001) single crystal thin layers, prepared by pulsed laser deposition. Gold forms unconnected nanoparticles, and their effect on the band bending is the apparition of a Schottky band bending additional to the band bending due to the out-of-plane polarization. Copper, starting with a given thickness, forms continuous metal layers connected to the ground of the system, and provide electrons in sufficient quantity to compensate the band bending due to the out-of-plane polarization.« less
First-principles density functional theory (DFT) study of gold nanorod and its interaction with alkanethiol ligands.

PubMed

Hu, Hang; Reven, Linda; Rey, Alejandro

2013-10-17

The structure and mechanical properties of gold nanorods and their interactions with alkenthiolate self-assembled monolayers have been determined using a novel first-principle density functional theory simulation approach. The multifaceted, 1-dimensional, octagonal nanorod has alternate Au100 and Au110 surfaces. The structural optimization of the gold nanorods was performed with a mixed basis: the outermost layer of gold atoms used double-ζ plus polarization (DZP), the layer below used double-ζ (DZ), and the inner layers used single-ζ (SZ). The final structure compares favorably with simulations using DZP for all atoms. Phonon dispersion calculations and ab initio molecular dynamics (AIMD) were used to establish the dynamic and thermal stability of the system. From the AIMD simulations it was found that the nanorod system will undergo significant surface reconstruction at 300 K. In addition, when subjected to mechanical stress in the axial direction, the nanorod responds as an orthotropic material, with uniform expansion along the radial direction. The Young's moduli are 207 kbar in the axial direction and 631 kbar in the radial direction. The binding of alkanethiolates, ranging from methanethiol to pentanethiol, caused formation of surface point defects on the Au110 surfaces. On the Au100 surfaces, the defects occurred in the inner layer, creating a small surface island. These defects make positive and negative concavities on the gold nanorod surface, which helps the ligand to achieve a more stable state. The simulation results narrowed significant knowledge gaps on the alkanethiolate adsorption process and on their mutual interactions on gold nanorods. The mechanical characterization offers a new dimension to understand the physical chemistry of these complex nanoparticles.

Ejection of Particles from the Free Surface of Shock-Loaded Lead into Vacuum and Gas Medium

NASA Astrophysics Data System (ADS)

Ogorodnikov, V. A.; Mikhailov, A. L.; Erunov, S. V.; Antipov, M. V.; Fedorov, A. V.; Syrunin, M. A.; Kulakov, E. V.; Kleshchevnikov, O. A.; Yurtov, I. V.; Utenkov, A. A.; Finyushin, S. A.; Chudakov, E. A.; Kalashnikov, D. A.; Pupkov, A. S.; Chapaev, A. V.; Mishanov, A. V.; Glushikhin, V. V.; Fedoseev, A. V.; Tagirov, R. R.; Kostyukov, S. A.; Tagirova, I. Yu.; Saprykina, E. V.

2017-12-01

The presence and behavior of a gas-metal interfacial layer at the free surface of shock-wave driven flying vehicles in gases of various compositions and densities has not been sufficiently studied so far. We present new comparative data on "dusting" from the free surface of lead into vacuum and gas as dependent on the surface roughness, pressure amplitude at the shock-wave front, and phase state of the material. Methods of estimating the mass flux of ejected particles in the presence of a gas medium at the free metal surface are proposed.
Unitized Regenerative Fuel Cell System Gas Storage/Radiator Development

NASA Technical Reports Server (NTRS)

Jakupca, Ian; Burke, Kenneth A.

2003-01-01

The ancillary components for Unitized Regenerative Fuel Cell (URFC) Energy Storage System are being developed at the NASA Glenn Research Center. This URFC system is unique in that it uses the surface area of the hydrogen and oxygen storage tanks as radiating heat surfaces for overall thermal control of the system. The waste heat generated by the URFC stack during charging and discharging is transferred from the cell stack to the surface of each tank by loop heat pipes. The heat pipes are coiled around each tank and covered with a thin layer of thermally conductive layer of carbon composite. The thin layer of carbon composite acts as a fin structure that spreads the heat away from the heat pipe and across the entire tank surface. Two different sized commercial grade composite tanks were constructed with integral heat pipes and tested in a thermal vacuum chamber to examine the feasibility of using the storage tanks as system radiators. The storage radiators were subjected to different steady-state heat loads and varying heat load profiles. The surface emissivity and specific heat capacity of each tank were calculated. The results were incorporated into a model that simulates the performance of similar radiators using lightweight, space rated carbon composite tanks.
Effect of Surface Oxidation on Interfacial Water Structure at a Pyrite (100) Surface as Studied by Molecular Dynamics Simulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jin, Jiaqi; Miller, Jan D.; Dang, Liem X.

2015-06-01

In the first part of this paper, a Scanning Electron Microscopy and contact angle study of a pyrite surface (100) is reported describing the relationship between surface oxidation and the hydrophilic surface state. In addition to these experimental results, the following simulated surface states were examined using Molecular Dynamics Simulation (MDS): fresh unoxidized (100) surface; polysulfide at the (100) surface; elemental sulfur at the (100) surface. Crystal structures for the polysulfide and elemental sulfur at the (100) surface were simulated using Density Functional Theory (DFT) quantum chemical calculations. The well known oxidation mechanism which involves formation of a metal deficientmore » layer was also described with DFT. Our MDS results of the behavior of interfacial water at the fresh and oxidized pyrite (100) surfaces without/with the presence of ferric hydroxide include simulated contact angles, number density distribution for water, water dipole orientation, water residence time, and hydrogen-bonding considerations. The significance of the formation of ferric hydroxide islands in accounting for the corresponding hydrophilic surface state is revealed not only from experimental contact angle measurements but also from simulated contact angle measurements using MDS. The hydrophilic surface state developed at oxidized pyrite surfaces has been described by MDS, on which basis the surface state is explained based on interfacial water structure. The Division of Chemical Sciences, Geosciences, and Biosciences, Office of Basic Energy Sciences (BES), of the DOE funded work performed by Liem X. Dang. Battelle operates the Pacific Northwest National Laboratory for DOE. The calculations were carried out using computer resources provided by BES.« less
Polarimetry of nacre in iridescent shells

NASA Astrophysics Data System (ADS)

Metzler, R. A.; Burgess, C.; Regan, B.; Spano, S.; Galvez, E. J.

2014-09-01

We investigate the light transmitted or reflected from nacre (mother of pearl) taken from the iridescent shell of the bivalve Pinctad a fucata. These nacre surfaces have a rich structure, composed of aragonite crystals arranged as tablets or bricks, 5 μm wide and 400-500 nm thick, surrounded by 30nm thick organic mortar. The light reflected from these shell surfaces, or transmitted through thin polished layers, is rich in its polarization content, exhibiting a space dependent variation in the state of polarization with a high density of polarization singularities. Our goal is to use the polarization information to infer the structure of the biominerals and the role of the organic layer in determining the orientation of the crystals. In the experiments we send the light from a laser with a uniform state of polarization onto the shell, and analyze the light that is either transmitted or reflected, depending on the type of experiment, imaging it after its passage through polarization filters. We use the images from distinct filters to obtain the Stokes parameters, and hence the state of polarization, of each image point. We also construct the Mueller matrix for each imaged point, via 36 measurements. We do this for distinct physical and chemical treatments of the shell sample. Preliminary data shows that the organic layer may be responsible for organizing a multi-crystalline arrangement of aragonite tablets.
A green synthesis of a layered titanate, potassium lithium titanate; lower temperature solid-state reaction and improved materials performance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ogawa, Makoto, E-mail: waseda.ogawa@gmail.com; Department of Earth Sciences, Waseda University, 1-6-1 Nishiwaseda, Shinjuku-ku, Tokyo 169-8050; Morita, Masashi, E-mail: m-masashi@y.akane.waseda.jp

2013-10-15

A layered titanate, potassium lithium titanate, with the size range from 0.1 to 30 µm was prepared to show the effects of the particle size on the materials performance. The potassium lithium titanate was prepared by solid-state reaction as reported previously, where the reaction temperature was varied. The reported temperature for the titanate preparation was higher than 800 °C, though 600 °C is good enough to obtain single-phase potassium lithium titanate. The lower temperature synthesis is cost effective and the product exhibit better performance as photocatalysts due to surface reactivity. - Graphical abstract: Finite particle of a layered titanate, potassiummore » lithium titanate, was prepared by solid-state reaction at lower temperature to show modified materials performance. Display Omitted - Highlights: • Potassium lithium titanate was prepared by solid-state reaction. • Lower temperature reaction resulted in smaller sized particles of titanate. • 600 °C was good enough to obtain single phased potassium lithium titanate. • The product exhibited better performance as photocatalyst.« less
Flow Control

DTIC Science & Technology

2013-04-08

estimator will relate an array of surface mounted sensor signals, de- fined as p( xs , t), to the flow state which is modeled by the time coefficients of a POD...layer growth, separation points, etc.) are chosen and defined as ( xs ) within the numeric simulation. A surface POD analysis, p( xs , t)≃ k ∑ p=1 asp(t)ϕsp... xs ), (30) yields surface POD modes φ sp( xs ). The resulting locations of the maxima and minima of the sur- face modes show where the largest
Correlation-Induced Self-Doping in the Iron-Pnictide Superconductor Ba2Ti2Fe2As4O

NASA Astrophysics Data System (ADS)

Ma, J.-Z.; van Roekeghem, A.; Richard, P.; Liu, Z.-H.; Miao, H.; Zeng, L.-K.; Xu, N.; Shi, M.; Cao, C.; He, J.-B.; Chen, G.-F.; Sun, Y.-L.; Cao, G.-H.; Wang, S.-C.; Biermann, S.; Qian, T.; Ding, H.

2014-12-01

The electronic structure of the iron-based superconductor Ba2Ti2Fe2As4O (Tconset=23.5 K ) has been investigated by using angle-resolved photoemission spectroscopy and combined local density approximation and dynamical mean field theory calculations. The electronic states near the Fermi level are dominated by both the Fe 3 d and Ti 3 d orbitals, indicating that the spacer layers separating different FeAs layers are also metallic. By counting the enclosed volumes of the Fermi surface sheets, we observe a large self-doping effect; i.e., 0.25 electrons per unit cell are transferred from the FeAs layer to the Ti2As2O layer, leaving the FeAs layer in a hole-doped state. This exotic behavior is successfully reproduced by our dynamical mean field calculations, in which the self-doping effect is attributed to the electronic correlations in the 3 d shells. Our work provides an alternative route of effective doping without element substitution for iron-based superconductors.
Ab initio density functional theory study on the atomic and electronic structure of GaP/Si(001) heterointerfaces

NASA Astrophysics Data System (ADS)

Romanyuk, O.; Supplie, O.; Susi, T.; May, M. M.; Hannappel, T.

2016-10-01

The atomic and electronic band structures of GaP/Si(001) heterointerfaces were investigated by ab initio density functional theory calculations. Relative total energies of abrupt interfaces and mixed interfaces with Si substitutional sites within a few GaP layers were derived. It was found that Si diffusion into GaP layers above the first interface layer is energetically unfavorable. An interface with Si/Ga substitution sites in the first layer above the Si substrate is energetically the most stable one in thermodynamic equilibrium. The electronic band structure of the epitaxial GaP/Si(001) heterostructure terminated by the (2 ×2 ) surface reconstruction consists of surface and interface electronic states in the common band gap of two semiconductors. The dispersion of the states is anisotropic and differs for the abrupt Si-Ga, Si-P, and mixed interfaces. Ga 2 p , P 2 p , and Si 2 p core-level binding-energy shifts were computed for the abrupt and the lowest-energy heterointerface structures. Negative and positive core-level shifts due to heterovalent bonds at the interface are predicted for the abrupt Si-Ga and Si-P interfaces, respectively. The distinct features in the heterointerface electronic structure and in the core-level shifts open new perspectives in the experimental characterization of buried polar-on-nonpolar semiconductor heterointerfaces.
Protein-lipid interactions at the air/water interface.

PubMed

Lad, Mitaben D; Birembaut, Fabrice; Frazier, Richard A; Green, Rebecca J

2005-10-07

Surface pressure measurements and external reflection FTIR spectroscopy have been used to probe protein-lipid interactions at the air/water interface. Spread monomolecular layers of stearic acid and phosphocholine were prepared and held at different compressed phase states prior to the introduction of protein to the buffered subphase. Contrasting interfacial behaviour of the proteins, albumin and lysozyme, was observed and revealed the role of both electrostatic and hydrophobic interactions in protein adsorption. The rate of adsorption of lysozyme to the air/water interface increased dramatically in the presence of stearic acid, due to strong electrostatic interactions between the negatively charged stearic acid head group and lysozyme, whose net charge at pH 7 is positive. Introduction of albumin to the subphase resulted in solubilisation of the stearic acid via the formation of an albumin-stearic acid complex and subsequent adsorption of albumin. This observation held for both human and bovine serum albumin. Protein adsorption to a PC layer held at low surface pressure revealed adsorption rates similar to adsorption to the bare air/water interface and suggested very little interaction between the protein and the lipid. For PC layers in their compressed phase state some adsorption of protein occurred after long adsorption times. Structural changes of both lysozyme and albumin were observed during adsorption, but these were dramatically reduced in the presence of a lipid layer compared to that of adsorption to the pure air/water interface.
An ab initio study of the structure and dynamics of bulk liquid Cd and its liquid-vapor interface.

PubMed

Calderín, L; González, L E; González, D J

2013-02-13

Several static and dynamic properties of bulk liquid Cd at a thermodynamic state near its triple point have been calculated by means of ab initio molecular dynamics simulations. The calculated static structure shows a very good agreement with the available experimental data. The dynamical structure reveals collective density excitations with an associated dispersion relation which points to a small positive dispersion. Results are also reported for several transport coefficients. Additional simulations have also been performed at a slightly higher temperature in order to study the structure of the free liquid surface. The ionic density profile shows an oscillatory behavior with two different wavelengths, as the spacing between the outer and first inner layer is different from that between the other inner layers. The calculated reflectivity shows a marked maximum whose origin is related to the surface layering, along with a shoulder located at a much smaller wavevector transfer.
A new approach to spherically symmetric junction surfaces and the matching of FLRW regions

NASA Astrophysics Data System (ADS)

Kirchner, U.

2004-08-01

We investigate timelike junctions (with surface layer) between spherically symmetric solutions of the Einstein-field equation. In contrast to previous investigations, this is done in a coordinate system in which the junction surface motion is absorbed in the metric, while all coordinates are continuous at the junction surface. The evolution equations for all relevant quantities are derived. We discuss the no-surface layer case (boundary surface) and study the behaviour for small surface energies. It is shown that one should expect cases in which the speed of light is reached within a finite proper time. We carefully discuss necessary and sufficient conditions for a possible matching of spherically symmetric sections. For timelike junctions between spherically symmetric spacetime sections we show explicitly that the time component of the Lanczos equation always reduces to an identity (independent of the surface equation of state). The results are applied to the matching of Friedmann Lemaître Robertson Walker (FLRW) models. We discuss 'vacuum bubbles' and closed open junctions in detail. As illustrations several numerical integration results are presented, some of them indicate that (observers comoving with) the junction surface can reach the speed of light within a finite time.
Investigations of surface related electronic properties in SmB6 and LaAlO3/SrTiO3 heterostructures

NASA Astrophysics Data System (ADS)

Adhikari, Sanjay

This dissertation reports research performed on two types of two-dimensional. systems: SmB6 and LaAlO3/SrTiO3 (LAO/STO). SmB6 has been proposed to be. a topological Kondo insulator at low temperature. In order to understand carriers/. lattice dynamics and their interactions, femtosecond pump-probe spectroscopy. is performed in SmB6 single crystals and thin lms at variable temperatures. The. collective oscillation modes in GHz - THz and the change of carrier relaxations is. observed as a function of temperature. From the temperature dependent results. f 􀀀?d hybridization, opening of the hybridization gap, phonon bottleneck", and th. possible topological surface state formation is revealed. The topological surface state. should support helical Dirac dispersion with momentum-spin lockage. This dissertation. reports on current injection in SmB6 thin lm with circularly polarized light. at oblique incidence. This spin polarized photocurrent is concluded to be a direct. result of spin momentum lockage in SmB6. LAO/STO interface shows 2-dimensional electron gas (2DEG) at the interface. when the thickness of LAO is more than 3 unit cell. Carrier properties at the. LAO/STO interfaces are highly sensitive to the top surface termination of LAO. The spontaneous dissociation of water on LAO surface is systematically studied by. density functional theory and experimental surface characterizations. Extrinsic effects. from surface adsorbates were often ignored in the previous studies of the 2DEG. From the experiments, it is found that the dissociated water molecules, especially the. surface protons, strongly aect the interface density of states, electron distributions. and lattice distortions. The investigations also reveal the importance of additional. molecular water layers. These additional water layers, through hydrogen bonds, provide. an energetically feasible pathway for manipulating the surface-bonded protons. and thus, the interface electrical characteristics.
Energetic basis of catalytic activity of layered nanophase calcium manganese oxides for water oxidation

PubMed Central

Birkner, Nancy; Nayeri, Sara; Pashaei, Babak; Najafpour, Mohammad Mahdi; Casey, William H.; Navrotsky, Alexandra

2013-01-01

Previous measurements show that calcium manganese oxide nanoparticles are better water oxidation catalysts than binary manganese oxides (Mn3O4, Mn2O3, and MnO2). The probable reasons for such enhancement involve a combination of factors: The calcium manganese oxide materials have a layered structure with considerable thermodynamic stability and a high surface area, their low surface energy suggests relatively loose binding of H2O on the internal and external surfaces, and they possess mixed-valent manganese with internal oxidation enthalpy independent of the Mn3+/Mn4+ ratio and much smaller in magnitude than the Mn2O3-MnO2 couple. These factors enhance catalytic ability by providing easy access for solutes and water to active sites and facile electron transfer between manganese in different oxidation states. PMID:23667149
Entrainment and Optical Properties of an Elevated Canadian Forest Fire Plume Transported into the Planetary Boundary Layer near Washington, D.C.

NASA Technical Reports Server (NTRS)

Colarco, P. R.; Schoeberl, M. R.; Doddridge, B. G.; Marufu, L. T.; Torres, O.; Welton, E. J.

2003-01-01

Smoke and pollutants from Canadian forest fires were transported over the northeastern United States in July 2002. Lidar observations at the NASA Goddard Space Flight Center show the smoke from these fires arriving in an elevated plume that was subsequently mixed to the surface. Trajectory and three-dimensional model calculations confirm the origin of the smoke and show that it mixed to the surface after it was intercepted by the turbulent planetary boundary layer. Modeled smoke optical properties agreed well with aircraft and remote sensing observations provided coagulation of smoke particles was accounted for in the model. Our results have important implications for the long-range transport of pollutants and their subsequent entrainment to the surface, as well as the evolving optical properties of smoke from boreal forest fires.
Entrainment and Optical Properties of an Elevated Forest Fire Plume Transported into the Planetary Boundary Layer near Washington, D.C.

NASA Technical Reports Server (NTRS)

Colarco, P. R.; Schoeberl, M. R.; Marufu, L. T.; Torres, O.; Welton, E. J.; Doddridge, B. G.

2003-01-01

Smoke and pollutants from Canadian forest fires were transported over the northeastern United States in July 2002. Lidar observations at the NASA Goddard Space Flight Center show the smoke from these fires arriving in an elevated plume that was subsequently transported to the surface. Trajectory and three-dimensional model calculations confirm the origin of the smoke and show that it mixed to the surface after it was intercepted by the turbulent planetary boundary layer. Modeled smoke optical properties agreed well with aircraft and remote sensing observations provided coagulation of smoke particles was accounted for in the model. Our results have important implications for the long-range transport of pollutants and their subsequent entrainment to the surface, as well as the evolving optical properties of smoke from boreal forest fires.
Energetic basis of catalytic activity of layered nanophase calcium manganese oxides for water oxidation.

PubMed

Birkner, Nancy; Nayeri, Sara; Pashaei, Babak; Najafpour, Mohammad Mahdi; Casey, William H; Navrotsky, Alexandra

2013-05-28

Previous measurements show that calcium manganese oxide nanoparticles are better water oxidation catalysts than binary manganese oxides (Mn3O4, Mn2O3, and MnO2). The probable reasons for such enhancement involve a combination of factors: The calcium manganese oxide materials have a layered structure with considerable thermodynamic stability and a high surface area, their low surface energy suggests relatively loose binding of H2O on the internal and external surfaces, and they possess mixed-valent manganese with internal oxidation enthalpy independent of the Mn(3+)/Mn(4+) ratio and much smaller in magnitude than the Mn2O3-MnO2 couple. These factors enhance catalytic ability by providing easy access for solutes and water to active sites and facile electron transfer between manganese in different oxidation states.
Understanding the high pressure properties of molecular solids and molecular surfaces deposited on hetrogeneous substrates

NASA Technical Reports Server (NTRS)

Etters, R. D.

1985-01-01

Work directed toward understanding the high pressure properties of molecular solids and molecular surfaces deposited on hetrogeneous substrates is reported. The motivation, apart from expanding our basic knowledge about these systems, was to understand and predict the properties of new materials synthesized at high pressure, including pressure induced metallic and superconducting states. As a consequence, information about the states of matter of the Jovian planets and their satellites, which are natural high pressure laboratories was also provided. The work on molecular surfaces and finite two and three dimensional clusters of atoms and molecules was connected with the composition and behavior of planetary atmospheres and on the processes involved in forming surface layers, which is vital to the development of composite materials and microcircuitry.
Study on Plastic Deformation Characteristics of Shot Peening of Ni-Based Superalloy GH4079

NASA Astrophysics Data System (ADS)

Zhong, L. Q.; Liang, Y. L.; Hu, H.

2017-09-01

In this paper, the X-ray stress diffractometer, surface roughness tester, field emission scanning electron microscope(SEM), dynamic ultra-small microhardness tester were used to measure the surface residual stress and roughness, topography and surface hardness changes of GH4079 superalloy, which was processed by metallographic grinding, turning, metallographic grinding +shot peening and turning + shot peening. Analysized the effects of shot peening parameters on shot peening plastic deformation features; and the effects of the surface state before shot peening on shot peening plastic deformation characteristics. Results show that: the surface residual compressive stress, surface roughness and surface hardness of GH4079 superalloy were increased by shot peening, in addition, the increment of the surface residual compressive stress, surface roughness and surface hardness induced by shot peening increased with increasing shot peening intensity, shot peening time, shot peening pressure and shot hardness, but harden layer depth was not affected considerably. The more plastic deformation degree of before shot peening surface state, the less increment of the surface residual compressive stress, surface roughness and surface hardness induced by shot peening.
Linearized Flux Evolution (LiFE): A technique for rapidly adapting fluxes from full-physics radiative transfer models

NASA Astrophysics Data System (ADS)

Robinson, Tyler D.; Crisp, David

2018-05-01

Solar and thermal radiation are critical aspects of planetary climate, with gradients in radiative energy fluxes driving heating and cooling. Climate models require that radiative transfer tools be versatile, computationally efficient, and accurate. Here, we describe a technique that uses an accurate full-physics radiative transfer model to generate a set of atmospheric radiative quantities which can be used to linearly adapt radiative flux profiles to changes in the atmospheric and surface state-the Linearized Flux Evolution (LiFE) approach. These radiative quantities describe how each model layer in a plane-parallel atmosphere reflects and transmits light, as well as how the layer generates diffuse radiation by thermal emission and by scattering light from the direct solar beam. By computing derivatives of these layer radiative properties with respect to dynamic elements of the atmospheric state, we can then efficiently adapt the flux profiles computed by the full-physics model to new atmospheric states. We validate the LiFE approach, and then apply this approach to Mars, Earth, and Venus, demonstrating the information contained in the layer radiative properties and their derivatives, as well as how the LiFE approach can be used to determine the thermal structure of radiative and radiative-convective equilibrium states in one-dimensional atmospheric models.
Auger mediated positron sticking on graphene and highly oriented pyrolytic graphite

NASA Astrophysics Data System (ADS)

Chirayath, V. A.; Chrysler, M.; McDonald, A.; Lim, Z.; Shastry, K.; Gladen, R.; Fairchild, A.; Koymen, A.; Weiss, A.

Positron annihilation induced Auger electron spectroscopy (PAES) measurements on 6-8 layers graphene grown on polycrystalline copper and the measurements on a highly oriented pyrolytic graphite (HOPG) sample have indicated the presence of a bound surface state for positrons. Measurements carried out with positrons of kinetic energies lower than the electron work function for graphene or HOPG have shown emission of low energy electrons possible only through the Auger mediated positron sticking (AMPS) process. In this process the positron makes a transition from a positive energy scattering state to a bound surface state. The transition energy is coupled to a valence electron which may then have enough energy to get ejected from the sample surface. The positrons which are bound to surface state are highly localized in a direction perpendicular to surface and delocalized parallel to it which makes this process highly surface sensitive and can thus be used for characterizing graphene or graphite surfaces for open volume defects and surface impurities. The measurements have also shown an extremely large low energy tail for the C KVV Auger transition at 263eV indicative of another physical process for low energy emission. This work was supported by NSF Grant No. DMR 1508719 and DMR 1338130.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Metzler, Dominik; Li, Chen; Engelmann, Sebastian

With the increasing interest in establishing directional etching methods capable of atomic scale resolution for fabricating highly scaled electronic devices, the need for development and characterization of atomic layer etching (ALE) processes, or generally etch processes with atomic layer precision, is growing. In this work, a flux-controlled cyclic plasma process is used for etching of SiO 2 and Si at the Angstrom-level. This is based on steady-state Ar plasma, with periodic, precise injection of a fluorocarbon (FC) precursor (C 4F 8 and CHF 3), and synchronized, plasma-based Ar+ ion bombardment [D. Metzler et al., J Vac Sci Technol A 32,more » 020603 (2014), and D. Metzler et al., J Vac Sci Technol A 34, 01B101 (2016)]. For low energy Ar+ ion bombardment conditions, physical sputter rates are minimized, whereas material can be etched when FC reactants are present at the surface. This cyclic approach offers a large parameter space for process optimization. Etch depth per cycle, removal rates, and self-limitation of removal, along with material dependence of these aspects, were examined as a function of FC surface coverage, ion energy, and etch step length using in situ real time ellipsometry. The deposited FC thickness per cycle is found to have a strong impact on etch depth per cycle of SiO 2 and Si, but is limited with regard to control over material etching selectivity. Ion energy over the 20 to 30 eV range strongly impacts material selectivity. The choice of precursor can have a significant impact on the surface chemistry and chemically enhanced etching. CHF 3 has a lower FC deposition yield for both SiO 2 and Si, and also exhibits a strong substrate dependence of FC deposition yield, in contrast to C4F 8. The thickness of deposited FC layers using CHF 3 is found to be greater for Si than for SiO 2. X-ray photoelectron spectroscopy was used to study surface chemistry. When thicker FC films of 11 Å are employed, strong changes of FC film chemistry during a cycle are seen whereas the chemical state of the substrate varies much less. On the other hand, for FC film deposition of 5 Å for each cycle, strong substrate surface chemical changes are seen during an etching cycle. The nature of this cyclic etching with periodic deposition of thin FC films differs significantly from conventional etching with steady-state FC layers since surface conditions change strongly throughout each cycle.« less
DOE Office of Scientific and Technical Information (OSTI.GOV)

Meisner, L. L., E-mail: llm@ispms.tsc.ru; Meisner, S. N., E-mail: msn@ispms.tsc.ru; National Research Tomsk State University, Tomsk, 634050

This work comprises a study of the influence of the pulse number of low-energy high-current electron beam (LEHCEB) exposure on the value and character of distribution of residual elastic stresses, texturing effects and the relationship between structural-phase states and physical and mechanical properties of the modified surface layers of TiNi alloy. LEHCEB processing of the surface of TiNi samples was carried out using a RITM-SP [3] installation. Energy density of electron beam was constant at E{sub s} = 3.9 ± 0.5 J/cm{sup 2}; pulse duration was 2.8 ± 0.3 μs. The number of pulses in the series was changeable, (n =more » 2–128). It was shown that as the result of multiple LEHCEB processing of TiNi samples, hierarchically organized multilayer structure is formed in the surface layer. The residual stress field of planar type is formed in the modified surface layer as following: in the direction of the normal to the surface the strain component ε{sub ⊥} < 0 (compressing strain), and in a direction parallel to the surface, the strain component ε{sub ||} > 0 (tensile deformation). Texturing effects and the level of residual stresses after LEHCEB processing of TiNi samples with equal energy density of electron beam (∼3.8 J/cm{sup 2}) depend on the number of pulses and increase with the rise of n > 10.« less
Laser-Hardened and Ultrasonically Peened Surface Layers on Tool Steel AISI D2: Correlation of the Bearing Curves' Parameters, Hardness and Wear

NASA Astrophysics Data System (ADS)

Lesyk, D. A.; Martinez, S.; Mordyuk, B. N.; Dzhemelinskyi, V. V.; Lamikiz, A.; Prokopenko, G. I.; Grinkevych, K. E.; Tkachenko, I. V.

2018-02-01

This paper is focused on the effects of the separately applied laser heat treatment (LHT) and ultrasonic impact treatment (UIT) and the combined LHT + UIT process on the wear and friction behaviors of the hardened surface layers of the tool steel AISI D2. In comparison with the initial state, wear losses of the treated specimens after long-term wear tests were decreased by 68, 41, and 77% at the LHT, UIT, and combined LHT + UIT processes, respectively. The Abbott-Firestone bearing curves were used to analyze the material ratio and functional characterization (bearing capacity and oil capacitance) of the studied surface specimens. The wear losses registered after short (15 min) tests correlate well with the changes in experimental surface roughness Ra, and the predictive Rpk, and bearing capacity B C parameters, respectively, evaluated using the Abbott-Firestone curves and Kragelsky-Kombalov formula. The wear losses after the long-term (45 min) tests are in good correlation with the reciprocal surface microhardness HV and with the W L and W P wear parameters, respectively, estimated using Archard-Rabinowicz formula and complex roughness-and-strength approach. The observed HV increase is supported by nanotwins (LHT), by dense dislocation nets (UIT), and by dislocation cells/nanograins fixed with fine carbides (LHT + UIT) formed in the surface layers of the steel.
Constructing superhydrophobic WO3@TiO2 nanoflake surface beyond amorphous alloy against electrochemical corrosion on iron steel

NASA Astrophysics Data System (ADS)

Yu, S. Q.; Ling, Y. H.; Wang, R. G.; Zhang, J.; Qin, F.; Zhang, Z. J.

2018-04-01

To eliminate harmful localized corrosion, a new approach by constructing superhydrophobic WO3@TiO2 hierarchical nanoflake surface beyond FeW amorphous alloy formed on stainless steel was proposed. Facile dealloying and liquid deposition was employed at low temperature to form a nanostructured layer composing inner WO3 nanoflakes coated with TiO2 nanoparticles (NPs) layer. After further deposition of PFDS on nanoflakes, the contact angle reached 162° while the corrosion potential showed a negative shift of 230 mV under illumination, resulting in high corrosion resistance in 3.5 wt% NaCl solution. The tradeoff between superhydrophobic surface and photo-electro response was investigated. It was found that this surface feature makes 316 SS be immune to localized corrosion and a pronounced photo-induced process of electron storage/release as well as the stability of the functional layer were detected with or without illumination, and the mechanism behind this may be related to the increase of surface potential due to water repellence and the delayed cathodic protection of semiconducting coating derived mainly from the valence state changes of WO3. This study demonstrates a simple and low-cost electrochemical approach for protection of steel and novel means to produce superhydrophobic surface and cathodic protection with controllable electron storage/release on engineering scale.
Decreased Charge Transport Barrier and Recombination of Organic Solar Cells by Constructing Interfacial Nanojunction with Annealing-Free ZnO and Al Layers.

PubMed

Liu, Chunyu; Zhang, Dezhong; Li, Zhiqi; Zhang, Xinyuan; Guo, Wenbin; Zhang, Liu; Ruan, Shengping; Long, Yongbing

2017-07-05

To overcome drawbacks of the electron transport layer, such as complex surface defects and unmatched energy levels, we successfully employed a smart semiconductor-metal interfacial nanojunciton in organic solar cells by evaporating an ultrathin Al interlayer onto annealing-free ZnO electron transport layer, resulting in a high fill factor of 73.68% and power conversion efficiency of 9.81%. The construction of ZnO-Al nanojunction could effectively fill the surface defects of ZnO and reduce its work function because of the electron transfer from Al to ZnO by Fermi level equilibrium. The filling of surface defects decreased the interfacial carrier recombination in midgap trap states. The reduced surface work function of ZnO-Al remodulated the interfacial characteristics between ZnO and [6,6]-phenyl C71-butyric acid methyl ester (PC 71 BM), decreasing or even eliminating the interfacial barrier against the electron transport, which is beneficial to improve the electron extraction capacity. The filled surface defects and reduced interfacial barrier were realistically observed by photoluminescence measurements of ZnO film and the performance of electron injection devices, respectively. This work provides a simple and effective method to simultaneously solve the problems of surface defects and unmatched energy level for the annealing-free ZnO or other metal oxide semiconductors, paving a way for the future popularization in photovoltaic devices.
Electronic structure of hydrogenated diamond: Microscopical insight into surface conductivity

NASA Astrophysics Data System (ADS)

Iacobucci, S.; Alippi, Paola; Calvani, P.; Girolami, M.; Offi, F.; Petaccia, L.; Trucchi, D. M.

2016-07-01

We have correlated the surface conductivity of hydrogen-terminated diamond to the electronic structure in the Fermi region. Significant density of electronic states (DOS) in proximity of the Fermi edge has been measured by photoelectron spectroscopy (PES) on surfaces exposed to air, corresponding to a p -type electric conductive regime, while upon annealing a depletion of the DOS has been achieved, resembling the diamond insulating state. The surface and subsurface electronic structure has been determined, exploiting the different probing depths of PES applied in a photon energy range between 7 and 31 eV. Ab initio density functional calculations including surface charge depletion and band-bending effects favorably compare with electronic states measured by angular-resolved photoelectron spectroscopy. Such states are organized in the energy-momentum space in a twofold structure: one, bulk-derived, band disperses in the Γ -X direction with an average hole effective mass of (0.43 ±0.02 ) m0 , where m0 is the bare electron mass; a second flatter band, with an effective mass of (2.2 ±0.9 ) m0 , proves that a hole gas confined in the topmost layers is responsible for the conductivity of the (2 ×1 ) hydrogen-terminated diamond (100 ) surface.
Pervious pavements - installation, operations and strength part 1 : pervious concrete.

DOT National Transportation Integrated Search

2011-08-01

Pervious pavement systems are now being recognized as a best management practice by the Environmental Protection Agency and the state of Florida. The pervious concrete system is designed to have enhanced pore sizes in the surface layer compared to co...
Pervious pavements - installation, operations and strength part 3 : permeable paver systems.

DOT National Transportation Integrated Search

2011-08-01

Pervious pavement systems are now being recognized as a best management practice by the Environmental Protection Agency and the state of Florida. The pervious pavement systems are designed to have enhanced pore sizes in the surface layer compared to ...
Pervious pavements - installation, operations and strength part 2 : porous asphalt systems.

DOT National Transportation Integrated Search

2011-08-01

Pervious pavement systems are now being recognized as a best management practice by the Environmental Protection Agency and the state of Florida. The pervious pavement systems are designed to have enhanced pore sizes in the surface layer compared to ...
CHARACTERIZING THE DISPERSIVE STATE OF CONVECTIVE BOUNDARY LAYERS FOR APPLIED DISPERSION MODELING

EPA Science Inventory

Estimates from semiempirical models that characterize surface heat flux, mixing depth, and profiles of temperature, wind, and turbulence are compared with observations from atmospheric field Studies conducted in Colorado, Illinois, Indiana, and Minnesota. In addition, for wind an...
Surface acoustic wave solid-state rotational micromotor

NASA Astrophysics Data System (ADS)

Shilton, Richie J.; Langelier, Sean M.; Friend, James R.; Yeo, Leslie Y.

2012-01-01

Surface acoustic waves (SAWs) are used to drive a 1 mm diameter rotor at speeds exceeding 9000 rpm and torque of nearly 5 nNm. Unlike recent high-speed SAW rotary motors, however, the present design does not require a fluid coupling layer but interestingly exploits adhesive stiction as an internal preload, a force usually undesirable at these scales; with additional preloads, smaller rotors can be propelled to 15 000 rpm. This solid-state motor has no moving parts except for the rotor and is sufficiently simple to allow integration into miniaturized drive systems for potential use in microfluidic diagnostics, optical switching and microrobotics.
Impact of atmospheric forcing on heat content variability in the sub-surface layer in the Japan/East Sea, 1948-2009

NASA Astrophysics Data System (ADS)

Stepanov, Dmitry; Gusev, Anatoly; Diansky, Nikolay

2016-04-01

Based on numerical simulations the study investigates impact of atmospheric forcing on heat content variability of the sub-surface layer in Japan/East Sea (JES), 1948-2009. We developed a model configuration based on a INMOM model and atmospheric forcing extracted from the CORE phase II experiment dataset 1948-2009, which enables to assess impact of only atmospheric forcing on heat content variability of the sub-surface layer of the JES. An analysis of kinetic energy (KE) and total heat content (THC) in the JES obtained from our numerical simulations showed that the simulated circulation of the JES is being quasi-steady state. It was found that the year-mean KE variations obtained from our numerical simulations are similar those extracted from the SODA reanalysis. Comparison of the simulated THC and that extracted from the SODA reanalysis showed significant consistence between them. An analysis of numerical simulations showed that the simulated circulation structure is very similar that obtained from the PALACE floats in the intermediate and abyssal layers in the JES. Using empirical orthogonal function analysis we studied spatial-temporal variability of the heat content of the sub-surface layer in the JES. Based on comparison of the simulated heat content variations with those obtained from natural observations an assessment of the atmospheric forcing impact on the heat content variability was obtained. Using singular value decomposition analysis we considered relationships between the heat content variability and wind stress curl as well as sensible heat flux in winter. It was established the major role of sensible heat flux in decadal variability of the heat content of the sub-surface layer in the JES. The research was supported by the Russian Foundation for Basic Research (grant N 14-05-00255) and the Council on the Russian Federation President Grants (grant N MK-3241.2015.5)
Using Profiles of Water Vapor Flux to Characterize Turbulence in the Convective Boundary Layer

NASA Astrophysics Data System (ADS)

Weber, Kristy Jane

The 2015 Plains Elevated Convection at Night (PECAN) field campaign sought to increase understanding of mechanisms for nocturnal severe weather in the Great Plains of the United States. A collection of instruments from this field campaign, including a water vapor Differential LiDAR (Light Detection Imaging And Ranging) (DIAL) and 449 MHz radar wind profiler were used to measure water vapor flux in regions between 300 m and the convective boundary layer. Methods to properly sample eddies using eddy-covariance were established, where analysis showed that a 90-minute Reynold's averaging period was optimal to sample most eddies. Additionally, a case study was used to demonstrate the additional atmospheric parameters which can be calculated from profiles of water vapor flux, such as the water vapor flux convergence/divergence. Flux footprints calculated at multiple heights within the convective boundary layer also show how a surface based instrument is sampling a completely different source than one taking measurements above 300 m. This result is important, as it shows how measurements above the surface layer will not be expected to match with those taken within a few meters of the surface, especially if average surface features such as land use type and roughness length are significantly different. These calculated water vapor flux profile measurements provide a new tool to analyze boundary layer dynamics during the PECAN field campaign, and their relationships to PECAN's study areas such as mesoscale convective systems (MCSs), nocturnal low-level jets (NLLJs), elevated convective initiation, and the propagation of bores or wavelike features from nocturnal convective systems.
Characteristics of the surface layer of barium strontium titanate thin films deposited by laser ablation

NASA Astrophysics Data System (ADS)

Craciun, V.; Singh, R. K.

2000-04-01

Ba0.5Sr0.5TiO3 (BST) thin films grown on Si by an in situ ultraviolet-assisted pulsed laser deposition (UVPLD) technique exhibited significantly higher dielectric constant and refractive index values and lower leakage current densities than films grown by conventional PLD under similar conditions. X-ray photoelectron spectroscopy (XPS) investigations have shown that the surface layer of the grown films contained, besides the usual BST perovskite phase, an additional phase with Ba atoms in a different chemical state. PLD grown films always exhibited larger amounts of this phase, which was homogeneously mixed with the BST phase up to several nm depth, while UVPLD grown films exhibited a much thinner (˜1 nm) and continuous layer. The relative fraction of this phase was not correlated with the amount of C atoms present on the surface. Fourier transform infrared spectroscopy did not find any BaCO3 contamination layer, which was believed to be related to this new phase. X-ray diffraction measurement showed that although PLD grown films contained less oxygen atoms, the lattice parameter was closer to the bulk value than that of UVPLD grown films. After 4 keV Ar ion sputtering for 6 min, XPS analysis revealed a small suboxide Ba peak for the PLD grown films. This finding indicates that the average Ba-O bonds are weaker in these films, likely due to the presence of oxygen vacancies. It is suggested here that this new Ba phase corresponds to a relaxed BST surface layer.
Investigating the connectivity between emissions of BVOC and rainfall formation in Amazonia using Genetic Programming

NASA Astrophysics Data System (ADS)

Von Randow, Celso; Sanches, Marcos B.; Santos, Rosa Maria N.; Chamecki, Marcelo; Fuentes, Jose D.

2017-04-01

A detailed field experiment measuring turbulent properties, trace gases and BVOCs was carried out from April 2014 to January 2015 within and above a central Amazonian rainforest, with the objective of understanding the role of emissions and reactions of BVOCs, formation and transport of aerosols out of the boundary layer on cloud formation and precipitation triggers. Our measurements show two-way aspects of connectivity: mesoscale convective systems transport ozone down from the middle troposphere, enriching the atmospheric boundary layer as well as the forest canopy and surface layer, and, through multiple chemical transformations, an ozone-enriched atmospheric surface layer that can oxidize rainforest-emitted hydrocarbons and generate aerosols that subsequently activate into cloud condensation nuclei, thereby possibly influencing the formation of new convective precipitation. Qualitatively, we address the connectivity between emissions of BVOCs near the surface and rainfall generation, using the technique of Genetic Programing (GP), introduced by Koza (1992), based on the concepts of natural selection and genetics. The technique involves finding a mathematical expression that fits a given set of data, and constructing a population of mathematical models from different combinations of variables, constants and operators. An advantage of GP is that it can flexibly incorporate multivariate non-linear relations, and obtained numeric solutions are possibly interpreted and checked for physical consistency. A number of state variables (for example, surface fluxes, meteorological conditions, boundary layer stability conditions, BVOC and Ozone vertical profiles, etc), representing possible influences on BVOC emissions and their interrelations along the way through secondary organic aerosol and CCN formation to rainfall will be used.
Ultra-sensing with slit-enhanced infrared spectroscopy (Conference Presentation)

NASA Astrophysics Data System (ADS)

Mayerhöfer, Thomas G.; Knipper, Richard; Hübner, Uwe; Cialla-May, Dana; Weber, Karina; Popp, Jürgen

2017-02-01

Infrared spectroscopy enables the label-free detection of structure specific fingerprints of analytes. The sensitivity of corresponding methods can strongly be enhanced by attaching analytes on plasmonic active surfaces. We introduce a slit array metamaterial perfect absorber (SAMPA) [1] consisting of a dielectric layer sandwiched between two Au layers of which the upper layer is perforated with a periodic array of slits. This structure combines the principle of Extraordinary Optical Transmission (more light is transmitted through a hole than is incident on its surface) with that of Perfect Absorption (reflectance and transmittance are virtually zero). Accordingly, within the slights the electric fields are strongly enhanced and light-matter interaction is correspondingly greatly amplified. Thus, already small concentrations of analytes down to a monolayer can be detected and identified by their spectral fingerprints with a standard mid-infrared spectrometer. Closely related to the SAMPAs are plasmonic slit absorbers, which simply consist of slit arrays in thin gold layers deposited on a layer of Si3N4.[2] These slit arrays operate like unstructured gold layers if the incident light is polarized parallel to the long slit axes. In contrast, for light polarized perpendicular to the long slit axis, the plasmon is excited. By the introduction of a second slit, which is rotated relative to the first slit, both principal polarization states excite plasmon resonances which can be made to differ in wavelength. As a consequence, the operating wavelength range of this slit array can be tuned by adjusting the polarization state of the incoming light. [1] Mayerhöfer, T.G., et al.. ACS Photonics, 2015. 2(11): p. 1567-1575. [2] Knipper, R., et. al., in preparation.
Ubiquitous formation of bulk Dirac cones and topological surface states from a single orbital manifold in transition-metal dichalcogenides

NASA Astrophysics Data System (ADS)

Bahramy, M. S.; Clark, O. J.; Yang, B.-J.; Feng, J.; Bawden, L.; Riley, J. M.; Marković, I.; Mazzola, F.; Sunko, V.; Biswas, D.; Cooil, S. P.; Jorge, M.; Wells, J. W.; Leandersson, M.; Balasubramanian, T.; Fujii, J.; Vobornik, I.; Rault, J. E.; Kim, T. K.; Hoesch, M.; Okawa, K.; Asakawa, M.; Sasagawa, T.; Eknapakul, T.; Meevasana, W.; King, P. D. C.

2018-01-01

Transition-metal dichalcogenides (TMDs) are renowned for their rich and varied bulk properties, while their single-layer variants have become one of the most prominent examples of two-dimensional materials beyond graphene. Their disparate ground states largely depend on transition metal d-electron-derived electronic states, on which the vast majority of attention has been concentrated to date. Here, we focus on the chalcogen-derived states. From density-functional theory calculations together with spin- and angle-resolved photoemission, we find that these generically host a co-existence of type-I and type-II three-dimensional bulk Dirac fermions as well as ladders of topological surface states and surface resonances. We demonstrate how these naturally arise within a single p-orbital manifold as a general consequence of a trigonal crystal field, and as such can be expected across a large number of compounds. Already, we demonstrate their existence in six separate TMDs, opening routes to tune, and ultimately exploit, their topological physics.
Flexible conformable hydrophobized surfaces for turbulent flow drag reduction

PubMed Central

Brennan, Joseph C; Geraldi, Nicasio R; Morris, Robert H; Fairhurst, David J; McHale, Glen; Newton, Michael I

2015-01-01

In recent years extensive work has been focused onto using superhydrophobic surfaces for drag reduction applications. Superhydrophobic surfaces retain a gas layer, called a plastron, when submerged underwater in the Cassie-Baxter state with water in contact with the tops of surface roughness features. In this state the plastron allows slip to occur across the surface which results in a drag reduction. In this work we report flexible and relatively large area superhydrophobic surfaces produced using two different methods: Large roughness features were created by electrodeposition on copper meshes; Small roughness features were created by embedding carbon nanoparticles (soot) into Polydimethylsiloxane (PDMS). Both samples were made into cylinders with a diameter under 12 mm. To characterize the samples, scanning electron microscope (SEM) images and confocal microscope images were taken. The confocal microscope images were taken with each sample submerged in water to show the extent of the plastron. The hydrophobized electrodeposited copper mesh cylinders showed drag reductions of up to 32% when comparing the superhydrophobic state with a wetted out state. The soot covered cylinders achieved a 30% drag reduction when comparing the superhydrophobic state to a plain cylinder. These results were obtained for turbulent flows with Reynolds numbers 10,000 to 32,500. PMID:25975704
Effect of abrasive grit size on wear of manganese-zinc ferrite under three-body abrasion

NASA Technical Reports Server (NTRS)

Miyoshi, Kazuhisa

1987-01-01

Wear experiments were conducted using replication electron microscopy and reflection electron diffraction to study abrasion and deformed layers produced in single-crystal Mn-Zn ferrites under three-body abrasion. The abrasion mechanism of Mn-Zn ferrite changes drastically with the size of abrasive grits. With 15-micron (1000-mesh) SiC grits, abrasion of Mn-Zn ferrite is due principally to brittle fracture; while with 4- and 2-micron (4000- and 6000-mesh) SiC grits, abrasion is due to plastic deformation and fracture. Both microcracking and plastic flow produce polycrystalline states on the wear surfaces of single-crystal Mn-Zn ferrites. Coefficient of wear, total thickness of the deformed layers, and surface roughness of the wear surfaces increase markedly with an increase in abrasive grit size. The total thicknesses of the deformed layers are 3 microns for the ferrite abraded by 15-micron SiC, 0.9 microns for the ferrite abraded by 4-micron SiC, and 0.8 microns for the ferrite abraded by 1-micron SiC.
Circulation Control Model Experimental Database for CFD Validation

NASA Technical Reports Server (NTRS)

Paschal, Keith B.; Neuhart, Danny H.; Beeler, George B.; Allan, Brian G.

2012-01-01

A 2D circulation control wing was tested in the Basic Aerodynamic Research Tunnel at the NASA Langley Research Center. A traditional circulation control wing employs tangential blowing along the span over a trailing-edge Coanda surface for the purpose of lift augmentation. This model has been tested extensively at the Georgia Tech Research Institute for the purpose of performance documentation at various blowing rates. The current study seeks to expand on the previous work by documenting additional flow-field data needed for validation of computational fluid dynamics. Two jet momentum coefficients were tested during this entry: 0.047 and 0.114. Boundary-layer transition was investigated and turbulent boundary layers were established on both the upper and lower surfaces of the model. Chordwise and spanwise pressure measurements were made, and tunnel sidewall pressure footprints were documented. Laser Doppler Velocimetry measurements were made on both the upper and lower surface of the model at two chordwise locations (x/c = 0.8 and 0.9) to document the state of the boundary layers near the spanwise blowing slot.

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