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Sample records for mgb20001 surface states

  1. Surface states and spectra

    International Nuclear Information System (INIS)

    Jaksic, V.; Last, Y.; California Inst. of Tech., Pasadena, CA

    2001-01-01

    Let Z + d+1 =Z d x Z + , let H 0 be the discrete Laplacian on the Hilbert space l 2 (Z + d+1 ) with a Dirichlet boundary condition, and let V be a potential supported on the boundary ∂Z + d+1 . We introduce the notions of surface states and surface spectrum of the operator H=H 0 +V and explore their properties. Our main result is that if the potential V is random and if the disorder is either large or small enough, then in dimension two H has no surface spectrum on σ(H 0 ) with probability one. To prove this result we combine Aizenman-Molchanov theory with techniques of scattering theory. (orig.)

  2. Coherent states and rational surfaces

    International Nuclear Information System (INIS)

    Brody, Dorje C; Graefe, Eva-Maria

    2010-01-01

    The state spaces of generalized coherent states associated with special unitary groups are shown to form rational curves and surfaces in the space of pure states. These curves and surfaces are generated by the various Veronese embeddings of the underlying state space into higher dimensional state spaces. This construction is applied to the parameterization of generalized coherent states, which is useful for practical calculations, and provides an elementary combinatorial approach to the geometry of the coherent state space. The results are extended to Hilbert spaces with indefinite inner products, leading to the introduction of a new kind of generalized coherent states.

  3. Surface states in photonic crystals

    Directory of Open Access Journals (Sweden)

    Vojtíšek P.

    2013-05-01

    Full Text Available Among many unusual and interesting physical properties of photonic crystals (PhC, in recent years, the propagation of surface electromagnetic waves along dielectric PhC boundaries have attracted considerable attention, also in connection to their possible applications. Such surfaces states, produced with the help of specialized defects on PhC boundaries, similarly to surfaces plasmons, are localized surfaces waves and, as such, can be used in various sensing applications. In this contribution, we present our recent studies on numerical modelling of surface states (SS for all three cases of PhC dimensionality. Simulations of these states were carried out by the use of plane wave expansion (PWE method via the MIT MPB package.

  4. In-surface confinement of topological insulator nanowire surface states

    International Nuclear Information System (INIS)

    Chen, Fan W.; Jauregui, Luis A.; Tan, Yaohua; Manfra, Michael; Klimeck, Gerhard; Chen, Yong P.; Kubis, Tillmann

    2015-01-01

    The bandstructures of [110] and [001] Bi 2 Te 3 nanowires are solved with the atomistic 20 band tight binding functionality of NEMO5. The theoretical results reveal: The popular assumption that all topological insulator (TI) wire surfaces are equivalent is inappropriate. The Fermi velocity of chemically distinct wire surfaces differs significantly which creates an effective in-surface confinement potential. As a result, topological insulator surface states prefer specific surfaces. Therefore, experiments have to be designed carefully not to probe surfaces unfavorable to the surface states (low density of states) and thereby be insensitive to the TI-effects

  5. In-surface confinement of topological insulator nanowire surface states

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Fan W., E-mail: fanchen@purdue.edu [Department of Physics and Astronomy, Purdue, West Lafayette, Indiana 47907 (United States); Network for Computational Nanotechnology, Purdue, West Lafayette, Indiana 47907 (United States); Jauregui, Luis A. [School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States); Tan, Yaohua [Network for Computational Nanotechnology, Purdue, West Lafayette, Indiana 47907 (United States); School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Manfra, Michael [Department of Physics and Astronomy, Purdue, West Lafayette, Indiana 47907 (United States); School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States); School of Materials Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Klimeck, Gerhard [Network for Computational Nanotechnology, Purdue, West Lafayette, Indiana 47907 (United States); School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States); Chen, Yong P. [Department of Physics and Astronomy, Purdue, West Lafayette, Indiana 47907 (United States); School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States); Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States); Kubis, Tillmann [Network for Computational Nanotechnology, Purdue, West Lafayette, Indiana 47907 (United States)

    2015-09-21

    The bandstructures of [110] and [001] Bi{sub 2}Te{sub 3} nanowires are solved with the atomistic 20 band tight binding functionality of NEMO5. The theoretical results reveal: The popular assumption that all topological insulator (TI) wire surfaces are equivalent is inappropriate. The Fermi velocity of chemically distinct wire surfaces differs significantly which creates an effective in-surface confinement potential. As a result, topological insulator surface states prefer specific surfaces. Therefore, experiments have to be designed carefully not to probe surfaces unfavorable to the surface states (low density of states) and thereby be insensitive to the TI-effects.

  6. In-surface confinement of topological insulator nanowire surface states

    Science.gov (United States)

    Chen, Fan W.; Jauregui, Luis A.; Tan, Yaohua; Manfra, Michael; Klimeck, Gerhard; Chen, Yong P.; Kubis, Tillmann

    2015-09-01

    The bandstructures of [110] and [001] Bi2Te3 nanowires are solved with the atomistic 20 band tight binding functionality of NEMO5. The theoretical results reveal: The popular assumption that all topological insulator (TI) wire surfaces are equivalent is inappropriate. The Fermi velocity of chemically distinct wire surfaces differs significantly which creates an effective in-surface confinement potential. As a result, topological insulator surface states prefer specific surfaces. Therefore, experiments have to be designed carefully not to probe surfaces unfavorable to the surface states (low density of states) and thereby be insensitive to the TI-effects.

  7. Theory of quasiparticle surface states in semiconductor surfaces

    International Nuclear Information System (INIS)

    Hybertsen, M.S.; Louie, S.G.

    1988-01-01

    A first-principles theory of the quasiparticle surface-state energies on semiconductor surfaces is developed. The surface properties are calculated using a repeated-slab geometry. Many-body effects due to the electron-electron interaction are represented by the electron self-energy operator including the full surface Green's function and local fields and dynamical screening effects in the Coulomb interaction. Calculated surface-state energies for the prototypical Si(111):As and Ge(111):As surfaces are presented. The calculated energies and dispersions for the occupied surface states (resonances) are in excellent agreement with recent angle-resolved photoemission data. Predictions are made for the position of empty surface states on both surfaces which may be experimentally accessible. The resulting surface state gap at Gamma-bar for Si(111):As agrees with recent scanning-tunneling-spectroscopy measurements. Comparison of the present results to eigenvalues from the local-density-functional calculation reveals substantial corrections for the gaps between empty and occupied surface states. This correction is found to depend on the character of the surface states involved

  8. Surface states in an external electric field

    International Nuclear Information System (INIS)

    Steslicka, M.

    1975-10-01

    Under conditions typical for field ion microscopy, true surface states can exist. Their shift towards higher energies can be quite significant and, moreover, additional surface levels at still higher energies can appear. The latter can play an important role in the process of tunneling of image gas electrons into surface states

  9. Topological surface states scattering in antimony

    KAUST Repository

    Narayan, Awadhesh; Rungger, Ivan; Sanvito, Stefano

    2012-01-01

    In this work we study the topologically protected states of the Sb(111) surface by using ab initio transport theory. In the presence of a strong surface perturbation we obtain standing-wave states resulting from the superposition of spin-polarized surface states. By Fourier analysis, we identify the underlying two dimensional scattering processes and the spin texture. We find evidence of resonant transmission across surface barriers at quantum well state energies and evaluate their lifetimes. Our results are in excellent agreement with experimental findings. We also show that despite the presence of a step edge along a different high-symmetry direction, the surface states exhibit unperturbed transmission around the Fermi energy for states with near to normal incidence. © 2012 American Physical Society.

  10. Topological surface states scattering in antimony

    KAUST Repository

    Narayan, Awadhesh

    2012-11-05

    In this work we study the topologically protected states of the Sb(111) surface by using ab initio transport theory. In the presence of a strong surface perturbation we obtain standing-wave states resulting from the superposition of spin-polarized surface states. By Fourier analysis, we identify the underlying two dimensional scattering processes and the spin texture. We find evidence of resonant transmission across surface barriers at quantum well state energies and evaluate their lifetimes. Our results are in excellent agreement with experimental findings. We also show that despite the presence of a step edge along a different high-symmetry direction, the surface states exhibit unperturbed transmission around the Fermi energy for states with near to normal incidence. © 2012 American Physical Society.

  11. Protection of surface states in topological nanoparticles

    Science.gov (United States)

    Siroki, Gleb; Haynes, Peter D.; Lee, Derek K. K.; Giannini, Vincenzo

    2017-07-01

    Topological insulators host protected electronic states at their surface. These states show little sensitivity to disorder. For miniaturization one wants to exploit their robustness at the smallest sizes possible. This is also beneficial for optical applications and catalysis, which favor large surface-to-volume ratios. However, it is not known whether discrete states in particles share the protection of their continuous counterparts in large crystals. Here we study the protection of the states hosted by topological insulator nanoparticles. Using both analytical and tight-binding simulations, we show that the states benefit from the same level of protection as those on a planar surface. The results hold for many shapes and sustain surface roughness which may be useful in photonics, spectroscopy, and chemistry. They complement past studies of large crystals—at the other end of possible length scales. The protection of the nanoparticles suggests that samples of all intermediate sizes also possess protected states.

  12. Electron spectroscopy of nanodiamond surface states

    Energy Technology Data Exchange (ETDEWEB)

    Belobrov, P.I.; Bursill, L.A.; Maslakov, K.I.; Dementjev, A.P

    2003-06-15

    Electronic states of nanodiamond (ND) were investigated by PEELS, XPS and CKVV Auger spectra. Parallel electron energy loss spectra (PEELS) show that the electrons inside of ND particles are sp{sup 3} hybridized but there is a surface layer containing distinct hybridized states. The CKVV Auger spectra imply that the HOMO of the ND surface has a shift of 2.5 eV from natural diamond levels of {sigma}{sub p} up to the Fermi level. Hydrogen (H) treatment of natural diamond surface produces a chemical state indistinguishable from that of ND surfaces using CKVV. The ND electronic structure forms {sigma}{sub s}{sup 1}{sigma}{sub p}{sup 2}{pi}{sup 1} surface states without overlapping of {pi}-levels. Surface electronic states, including surface plasmons, as well as phonon-related electronic states of the ND surface are also interesting and may also be important for field emission mechanisms from the nanostructured diamond surface.

  13. Topological surface states in nodal superconductors.

    Science.gov (United States)

    Schnyder, Andreas P; Brydon, Philip M R

    2015-06-24

    Topological superconductors have become a subject of intense research due to their potential use for technical applications in device fabrication and quantum information. Besides fully gapped superconductors, unconventional superconductors with point or line nodes in their order parameter can also exhibit nontrivial topological characteristics. This article reviews recent progress in the theoretical understanding of nodal topological superconductors, with a focus on Weyl and noncentrosymmetric superconductors and their protected surface states. Using selected examples, we review the bulk topological properties of these systems, study different types of topological surface states, and examine their unusual properties. Furthermore, we survey some candidate materials for topological superconductivity and discuss different experimental signatures of topological surface states.

  14. Surface-bound states in nanodiamonds

    Science.gov (United States)

    Han, Peng; Antonov, Denis; Wrachtrup, Jörg; Bester, Gabriel

    2017-05-01

    We show via ab initio calculations and an electrostatic model that the notoriously low, but positive, electron affinity of bulk diamond becomes negative for hydrogen passivated nanodiamonds and argue that this peculiar situation (type-II offset with a vacuum level at nearly midgap) and the three further conditions: (i) a surface dipole with positive charge on the outside layer, (ii) a spherical symmetry, and (iii) a dielectric mismatch at the surface, results in the emergence of a peculiar type of surface state localized just outside the nanodiamond. These states are referred to as "surface-bound states" and have consequently a strong environmental sensitivity. These type of states should exist in any nanostructure with negative electron affinity. We further quantify the band offsets of different type of nanostructures as well as the exciton binding energy and contrast the results with results for "conventional" silicon quantum dots.

  15. Gravitational states of antihydrogen near material surface

    Energy Technology Data Exchange (ETDEWEB)

    Voronin, Alexei Yu., E-mail: dr.a.voronin@gmail.com [P.N. Lebedev Physical Institute (Russian Federation); Froelich, Piotr [Uppsala University, Department of Quantum Chemistry (Sweden); Nesvizhevsky, Valery V. [Institut Laue-Langevin (ILL) (France)

    2012-12-15

    We present a theoretical study of the motion of antihydrogen atoms in the Earth's gravitational field near a material surface. We predict the existence of long-living quasistationary states of antihydrogen in a superposition of the gravitational and Casimir-van der Waals potentials of the surface. We suggest an interferometric method of measuring the energy difference between such gravitational states, hence the gravitational mass of antihydrogen.

  16. Photon density of states for deformed surfaces

    International Nuclear Information System (INIS)

    Emig, T

    2006-01-01

    A new approach to the Helmholtz spectrum for arbitrarily shaped boundaries and a rather general class of boundary conditions is introduced. We derive the boundary induced change of the density of states in terms of the free Green's function from which we obtain both perturbative and non-perturbative results for the Casimir interaction between deformed surfaces. As an example, we compute the lateral electrodynamic Casimir force between two corrugated surfaces over a wide parameter range. Universal behaviour, fixed only by the largest wavelength component of the surface shape, is identified at large surface separations. This complements known short distance expansions which are also reproduced

  17. Topological surface states in nodal superconductors

    International Nuclear Information System (INIS)

    Schnyder, Andreas P; Brydon, Philip M R

    2015-01-01

    Topological superconductors have become a subject of intense research due to their potential use for technical applications in device fabrication and quantum information. Besides fully gapped superconductors, unconventional superconductors with point or line nodes in their order parameter can also exhibit nontrivial topological characteristics. This article reviews recent progress in the theoretical understanding of nodal topological superconductors, with a focus on Weyl and noncentrosymmetric superconductors and their protected surface states. Using selected examples, we review the bulk topological properties of these systems, study different types of topological surface states, and examine their unusual properties. Furthermore, we survey some candidate materials for topological superconductivity and discuss different experimental signatures of topological surface states. (topical review)

  18. Surface states in crystals with low-index surfaces

    International Nuclear Information System (INIS)

    Wang Hui-Ping; Tao Rui-Bao

    2015-01-01

    For most of the conventional crystals with low-index surfaces, the hopping between the nearest neighbor (1NN) crystal planes (CPs) is dominant and the ones from the nNN (2 ≤ n < ∞) CPs are relatively weak, considered as small perturbations. The recent theoretical analysis [1] has demonstrated the absence of surface states at the level of the hopping approximation between the 1NN CPs when the original infinite crystal has the geometric reflection symmetry (GRS) for each CP. Meanwhile, based on the perturbation theory, it has also been shown that small perturbations from the hopping between the nNN (2 ≤ n < ∞) CPs and surface relaxation have no impact on the above conclusion. However, for the crystals with strong intrinsic spin-orbit coupling (SOC), the dominant terms of intrinsic SOC associate with two 1NN bond hoppings. Thus SOC will significantly contribute the hoppings from the 1NN and/or 2NN CPs except the ones within each CP. Here, we will study the effect of the hopping between the 2NN CPs on the surface states in model crystals with three different type structures (Type I: “···–P–P–P–P–···”, Type II: “···–P–Q–P–Q–···” and Type III: “···–P=Q–P=Q–···” where P and Q indicate CPs and the signs “−” and “=” mark the distance between the 1NN CPs). In terms of analytical and numerical calculations, we study the behavior of surface states in three types after the symmetric/asymmetric hopping from the 2NN CPs is added. We analytically prove that the symmetric hopping from the 2NN CPs cannot induce surface states in Type I when each CP has only one electron mode. The numerical calculations also provide strong support for the conclusion, even up to 5NN. However, in general, the coupling from the 2NN CPs (symmetric and asymmetric) is favorable to generate surface states except Type I with single electron mode only. (paper)

  19. Surface study of liquid 3He using surface state electrons

    International Nuclear Information System (INIS)

    Shirahama, K.; Ito, S.; Suto, H.; Kono, K.

    1995-01-01

    We have measured the mobility of surface state electrons (SSE) on liquid 3 He, μ 3 , aiming to study the elementary surface excitations of the Fermi liquid. A gradual increase of μ 3 below 300 mK is attributed to the scattering of electrons by ripplons. Ripplons do exist in 3 He down to 100 mK. We observe an abrupt decrease of μ 3 , due to the transition to the Wigner solid (WS). The dependences of the WS conductivity and mobility on temperature and magnetic field differ from the SSE behavior on liquid 4 He

  20. Ion bombardment effect on surface state of metal

    International Nuclear Information System (INIS)

    Vaulin, E.P.; Georgieva, N.E.; Martynenko, T.P.

    1990-01-01

    The effect of slow argon ion bombardment on the surface microstructure of polycrystalline copper as well as the effect of surface state on sputtering of D-16 polycrystalline alloy are experimentally studied. Reduction of copper surface roughness is observed. It is shown that the D-16 alloy sputtering coefficient is sensitive to the surface state within the limits of the destructed surface layer

  1. Topological surface states on Bi$_{1-x}$Sb$_x$

    DEFF Research Database (Denmark)

    Zhu, Xie-Gang; Hofmann, Philip

    2014-01-01

    Topological insulators support metallic surface states whose existence is protected by the bulk band structure. It has been predicted early that the topology of the surface state Fermi contour should depend on several factors, such as the surface orientation and termination and this raises the qu...

  2. Surface states in thin versus thick organic quantum wells

    International Nuclear Information System (INIS)

    Nguyen Ba An; Hanamura, E.

    1995-08-01

    Surface states are studied in dependence on thickness or organic quantum wells within the nearest layer approximation. It is shown that there is a material-dependent critical thickness. Structures, that have thickness thinner or thicker than the critical one, exhibit qualitatively different characteristics of surface states. Criteria for existence and sign rules for location of energy levels of surface states are established which are general and contain the results of the previous works as particular cases. (author). 18 refs, 3 figs

  3. Minimal model for spoof acoustoelastic surface states

    Directory of Open Access Journals (Sweden)

    J. Christensen

    2014-12-01

    Full Text Available Similar to textured perfect electric conductors for electromagnetic waves sustaining artificial or spoof surface plasmons we present an equivalent phenomena for the case of sound. Aided by a minimal model that is able to capture the complex wave interaction of elastic cavity modes and airborne sound radiation in perfect rigid panels, we construct designer acoustoelastic surface waves that are entirely controlled by the geometrical environment. Comparisons to results obtained by full-wave simulations confirm the feasibility of the model and we demonstrate illustrative examples such as resonant transmissions and waveguiding to show a few examples of many where spoof elastic surface waves are useful.

  4. Tunneling spectroscopy on semiconductors with a low surface state density

    OpenAIRE

    Sommerhalter, Christof; Matthes, Thomas W.; Boneberg, Johannes; Leiderer, Paul; Lux-Steiner, Martha Christina

    1997-01-01

    A detailed study of tunneling spectroscopy concerning semiconductors with a low surface state density is presented. For this purpose, I V curves under dark conditions and under illumination were measured on the (0001) van der Waals surface of a p-type WS2 single crystal, which is known to be free of intrinsic surface states. The measurements are interpreted by an analytical one-dimensional metal-insulator-semiconductor model, which shows that the presence of the finite tunneling current has ...

  5. State promotion and neutralization of ions near metal surface

    International Nuclear Information System (INIS)

    Zinoviev, A.N.

    2011-01-01

    Research highlights: → Multiply charged ion and the charge induced in the metal form a dipole. → Dipole states are promoted into continuum with decreasing ion-surface distance. → These states cross the states formed from metal atom. → Proposed model explains the dominant population of deep bound states. → Observed spectra of emitted Auger electrons prove this promotion model. -- Abstract: When a multiply charged ion with charge Z approaches the metal surface, a dipole is formed by the multiply charged ion and the charge induced in the metal. The states for such a dipole are promoted into continuum with decreasing ion-surface distance and cross the states formed from metal atom. The model proposed explains the dominant population of deep bound states in collisions considered.

  6. Ice nucleation on nanotextured surfaces: the influence of surface fraction, pillar height and wetting states.

    Science.gov (United States)

    Metya, Atanu K; Singh, Jayant K; Müller-Plathe, Florian

    2016-09-29

    In this work, we address the nucleation behavior of a supercooled monatomic cylindrical water droplet on nanoscale textured surfaces using molecular dynamics simulations. The ice nucleation rate at 203 K on graphite based textured surfaces with nanoscale roughness is evaluated using the mean fast-passage time method. The simulation results show that the nucleation rate depends on the surface fraction as well as the wetting states. The nucleation rate enhances with increasing surface fraction for water in the Cassie-Baxter state, while contrary behavior is observed for the case of Wenzel state. Based on the spatial histogram distribution of ice formation, we observed two pathways for ice nucleation. Heterogeneous nucleation is observed at a high surface fraction. However, the probability of homogeneous ice nucleation events increases with decreasing surface fraction. We further investigate the role of the nanopillar height in ice nucleation. The nucleation rate is enhanced with increasing nanopillar height. This is attributed to the enhanced contact area with increasing nanopillar height and the shift in nucleation events towards the three-phase contact line associated with the nanotextured surface. The ice-surface work of adhesion for the Wenzel state is found to be 1-2 times higher than that in the Cassie-Baxter state. Furthermore, the work of adhesion of ice in the Wenzel state is found to be linearly dependent on the contour length of the droplet, which is in line with that reported for liquid droplets.

  7. Tritium contaminated surface monitoring with a solid - state device

    International Nuclear Information System (INIS)

    Culcer, Mihai; Iliescu, Mariana; Curuia, Marian; Enache, Adrian; Stefanescu, Ioan; Ducu, Catalin; Malinovschi, Viorel

    2004-01-01

    The low energy of betas makes tritium difficult to detect. However, there are several methods used in tritium detection, such as liquid scintillation and ionization chambers. Tritium on or near a surface can be also detected using proportional counters and, recently, solid state devices. The paper presents our results in the design and achievement of a surface tritium monitor using a PIN photodiode as a solid state charged particle detector to count betas emitted from the surface. That method allows continuous, real-time and non-destructively measuring of tritium. (authors)

  8. Deformation and stability of surface states in Dirac semimetals

    Science.gov (United States)

    Kargarian, Mehdi; Lu, Yuan-Ming; Randeria, Mohit

    2018-04-01

    The unusual surface states of topological semimetals have attracted a lot of attention. Recently, we showed [Proc. Natl. Acad. Sci. USA 113, 8648 (2016), 10.1073/pnas.1524787113] that for a Dirac semimetal (DSM) arising from band inversion, such as Na3Bi and Cd3As2 , the expected double Fermi arcs on the surface are not topologically protected. Quite generally, the arcs deform into states similar to those on the surface of a strong topological insulator. Here we address two questions related to deformation and stability of surface states in DSMs. First, we discuss why certain perturbations, no matter how large, are unable to destroy the double Fermi arcs. We show that this is related to a certain extra (particle-hole) symmetry, which is nongeneric in materials. Second, we discuss situations in which the surface states are completely destroyed without breaking any symmetry or impacting the bulk Dirac nodes. We are not aware of any experimental or density functional theory (DFT) candidates for a material which is a bulk DSM without any surface states, but our results clearly show that this is possible.

  9. Rashba split surface states in BiTeBr

    International Nuclear Information System (INIS)

    Eremeev, S V; Rusinov, I P; Nechaev, I A; Chulkov, E V

    2013-01-01

    Within density functional theory, we study the bulk band structure and surface states of BiTeBr. We consider both ordered and disordered phases, which differ in atomic order in the Te–Br sublattice. On the basis of relativistic ab initio calculations, we show that the ordered BiTeBr is energetically preferable as compared with the disordered one. We demonstrate that both Te- and Br-terminated surfaces of the ordered BiTeBr hold surface states with a giant spin–orbit splitting. The Te-terminated surface-state spin splitting has Rashba-type behavior with the coupling parameter α R ∼ 2 eVÅ. (paper)

  10. Surface Relaxation and Electronic States of Pt(111) Surface with Varying Slab Thickness

    International Nuclear Information System (INIS)

    Kaushal, Ashok K.; Mullick, Shanta; Ahluwalia, P. K.

    2011-01-01

    Surface relaxation and electronic DOS's of Pt(111) surface have been studied with varying slab thickness using ab-initio SIESTA method. We found the expansion in the top layer and contraction in the subsurface layers of Pt(111) surface. Our results match with the experimental results. Also observing electronic density of states we found that as we increase the thickness of slab, the PDOS of Pt(111) surface goes towards the bulk density of states and Fermi energy shifts towards the bulk fermi energy.

  11. Exotic Paired States with Anisotropic Spin-Dependent Fermi Surfaces

    International Nuclear Information System (INIS)

    Feiguin, Adrian E.; Fisher, Matthew P. A.

    2009-01-01

    We propose a model for realizing exotic paired states in cold Fermi gases by using a spin-dependent optical lattice to engineer mismatched Fermi surfaces for each hyperfine species. The BCS phase diagram shows a stable paired superfluid state with coexisting pockets of momentum space with gapless unpaired carriers, similar to the Sarma state in polarized mixtures, but in our case the system is unpolarized. We propose the possible existence of an exotic 'Cooper-pair Bose-metal' phase, which has a gap for single fermion excitations but gapless and uncondensed 'Cooper-pair' excitations residing on a 'Bose surface' in momentum space.

  12. Studies of surface states in zinc oxide nanopowders

    Science.gov (United States)

    Peters, Raul Mugabe

    The surface of ZnO semiconductor nanosystems is a key performance-defining factor in numerous applications. In this work we present experimental results for the surface defect-related properties of ZnO nanoscale systems. Surface photovoltage spectroscopy was used to determine the defect level energies within the band gap, the conduction vs. valence band nature of the defect-related transitions, and to probe key dynamic parameters of the surface on a number of commercially available ZnO nanopowders. In our experimental setup, surface photovoltage characterization is conducted in high vacuum in tandem with in situ oxygen remote plasma treatments. Surface photovoltage investigations of the as-received and plasma-processed samples revealed a number of common spectral features related to surface states. Furthermore, we observed significant plasma-induced changes in the surface defect properties. Ex situ positron annihilation and photoluminescence measurements were performed on the studied samples and correlated with surface photovoltage results. The average positron lifetimes were found to be substantially longer than in a bulk single crystalline sample, which is consistent with the model of grains with defect-rich surface and subsurface layers. Compression of the powders into pellets yielded reduction of the average positron lifetimes. Surface photovoltage, positron annihilation, and photoluminescence spectra consistently showed sample-to-sample differences due to the variation in the overall quality of the nanopowders, which partially obscures observation of the scaling effects. However, the results demonstrated that our approach is efficient in detecting specific surface states in nanoscale ZnO specimens and in elucidating their nature.

  13. Surface-electronic-state effects in electron emission from the Be(0001) surface

    International Nuclear Information System (INIS)

    Archubi, C. D.; Gravielle, M. S.; Silkin, V. M.

    2011-01-01

    We study the electron emission produced by swift protons impinging grazingly on a Be(0001) surface. The process is described within a collisional formalism using the band-structure-based (BSB) approximation to represent the electron-surface interaction. The BSB model provides an accurate description of the electronic band structure of the solid and the surface-induced potential. Within this approach we derive both bulk and surface electronic states, with these latter characterized by a strong localization at the crystal surface. We found that such surface electronic states play an important role in double-differential energy- and angle-resolved electron emission probabilities, producing noticeable structures in the electron emission spectra.

  14. Surface-electronic-state effects in electron emission from the Be(0001) surface

    Energy Technology Data Exchange (ETDEWEB)

    Archubi, C. D. [Instituto de Astronomia y Fisica del Espacio, casilla de correo 67, sucursal 28, C1428EGA, Buenos Aires (Argentina); Gravielle, M. S. [Instituto de Astronomia y Fisica del Espacio, casilla de correo 67, sucursal 28, C1428EGA, Buenos Aires (Argentina); Departamento de Fisica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires (Argentina); Silkin, V. M. [Donostia International Physics Center, E-20018 San Sebastian (Spain); Departamento de Fisica de Materiales, Facultad de Ciencias Quimicas, Universidad del Pais Vasco, Apartado 1072, E-20080 San Sebastian (Spain); IKERBASQUE, Basque Foundation for Science, E-48011 Bilbao (Spain)

    2011-07-15

    We study the electron emission produced by swift protons impinging grazingly on a Be(0001) surface. The process is described within a collisional formalism using the band-structure-based (BSB) approximation to represent the electron-surface interaction. The BSB model provides an accurate description of the electronic band structure of the solid and the surface-induced potential. Within this approach we derive both bulk and surface electronic states, with these latter characterized by a strong localization at the crystal surface. We found that such surface electronic states play an important role in double-differential energy- and angle-resolved electron emission probabilities, producing noticeable structures in the electron emission spectra.

  15. Local equivalence, surface-code states, and matroids

    International Nuclear Information System (INIS)

    Sarvepalli, Pradeep; Raussendorf, Robert

    2010-01-01

    Recently, Ji et al. disproved the local-unitary-local Clifford (LU-LC) conjecture and showed that the local unitary (LU) and local Clifford (LC) equivalence classes of the stabilizer states are not always the same. Despite the fact that this settles the LU-LC conjecture, a sufficient condition for stabilizer states that violate the LU-LC conjecture is not known. In this paper, we investigate further the properties of stabilizer states with respect to local equivalence. Our first result shows that there exist infinitely many stabilizer states that violate the LU-LC conjecture. In particular, we show that for all numbers of qubits n≥28, there exist distance-two stabilizer states which are counterexamples to the LU-LC conjecture. We prove that, for all odd n≥195, there exist stabilizer states with distance greater than two that are LU equivalent but not LC equivalent. Two important classes of stabilizer states that are of great interest in quantum computation are the cluster states and stabilizer states of the surface codes. We show that, under some minimal restrictions, both these classes of states preclude any counterexamples. In this context, we also show that the associated surface codes do not have any encoded non-Clifford transversal gates. We characterize the Calderbank-Shor-Steane (CSS) surface-code states in terms of a class of minor closed binary matroids. In addition to making a connection to an important open problem in binary matroid theory, this characterization does in some cases provide an efficient test for CSS states that are not counterexamples.

  16. The law of corresponding states and surface tension of metals

    International Nuclear Information System (INIS)

    Digilov, R.

    2001-01-01

    Full Text: Surface tension of liquid metals is one of fundamental and most important quantities in theory and practice of material processing and its temperature dependence leads to the well-known Marangoni convection. Although currently methods are sufficiently precise to measure the surface tension, there are uncertainties in experimental data and its temperature dependence mainly due to impurity, which even a trace of it strongly affects the results of measurements. The theoretical treatment from the first principles is unwieldy and not always permits one to calculate the surface tension with certainty. Another active research field deals with empirical correlation between the surface tension and bulk thermodynamic properties, which we interpret as a simple consequence of the law of corresponding states. In order to relate the surface tension and to bulk properties of liquid metals the reduced formula is derived by scaling with the melting point T m (0) at p = 0 and atomic volume Ω 0 2/3 at T = 0 K as macroscopic parameters for scaling ε and a characterizing the interatomic potential in metals. The reduced surface tension and the reduced surface entropy obtained in high temperature limit are discussed and compared with the experiment. The reduced temperature coefficient of the surface tension found is a universal constant for the metals of the same structure. It is shown that pressure dependence of the surface tension, so called baric coefficient of the surface tension, can be described by pressure dependence of scaling parameters T m (p) and Ω 0 (p). (author)

  17. Charge state of ions scattered by metal surface

    International Nuclear Information System (INIS)

    Kishinevsky, L.M.; Parilis, E.S.; Verleger, V.K.

    1976-01-01

    A model for description of charge distributions for scattering of heavy ions in the keV region, on metal surfaces developing and improving the method of Van der Weg and Bierman, and taking into account the connection between the ion charge state and scattering kinematics, is proposed. It is shown that multiple charged particles come from ions with a vacancy in the inner shell while the outer shell vacancies give only single charged ions and neutrals. The approximately linear increase of degree of ionization with normal velocity, and the non-monotonic charge dependence of the energy spectrum established by Chicherov and Buck et al is explained by considering irreversible neutralization in the depth of the metal, taking into account the connection of the charge state with the shape of trajectory and its location relative to the metal surface. The dependence of charge state on surface structure is discussed. Some new experiments are proposed. (author)

  18. Metastable states of plasma particles close to a charged surface

    Energy Technology Data Exchange (ETDEWEB)

    Shavlov, A. V., E-mail: shavlov@ikz.ru [The Institute of the Earth Cryosphere, RAS Siberian branch, 625000, P.O. 1230, Tyumen (Russian Federation); Tyumen State Oil and Gas University, 38, Volodarskogo St., 625000, Tyumen (Russian Federation); Dzhumandzhi, V. A. [The Institute of the Earth Cryosphere, RAS Siberian branch, 625000, P.O. 1230, Tyumen (Russian Federation)

    2015-09-15

    The free energy of the plasma particles and the charged surface that form an electroneutral system is calculated on the basis of the Poisson-Boltzmann equation. It is shown that, owing to correlation of light plasma particles near the charged surface and close to heavy particles of high charge, there can be metastable states in plasma. The corresponding phase charts of metastable states of the separate components of plasma, and plasma as a whole, are constructed. These charts depend on temperature, the charge magnitude, the size of the particles, and the share of the charge of the light carriers out of the total charge of the plasma particles.

  19. Surface crack testing - state of technique and trends in development

    International Nuclear Information System (INIS)

    1991-01-01

    This Seminar contains 12 lectures on the following subjects: State of technique in magnetic powder testing (K. Goebbels); Recognisability of faults and probability of faults in surface crack testing (W. Morgner); Requirements for picture processing systems for proving and assessing crack indications (M. Stadthaus); Possibilities and limits of automatic crack recognition in magnetic powder testing (V. Deutsch); Development of equipment for eddy current testing (M. Junger); Signal processing - a way of improving the recognisability of faults in eddy current testing (R. Becker); Methods of testing steel products for surface faults and their practical limits of fault recognisability (D. Thiery); Surface crack testing in pipe manufacture (R. Pawelletz); Surface crack testing in powerstation construction (L. v. Bernus); Trends in automation in surface crack testing (G. Maier); Eddy current testing in engine construction (E. Dickhaut); Eddy current testing in aircraft repair (F. Schur). (orig.) [de

  20. Preserving half-metallic surface states in Cr O2 : Insights into surface reconstruction rules

    Science.gov (United States)

    Deng, Bei; Shi, X. Q.; Chen, L.; Tong, S. Y.

    2018-04-01

    The issue of whether the half-metallic (HM) nature of Cr O2 could be retained at its surface has been a standing problem under debate for a few decades, but until now is still controversial. Here, based on the density functional theory calculations we show, in startling contrast to the previous theoretical understandings, that the surfaces of Cr O2 favorably exhibit a half-metallic-semiconducting (SmC) transition driven by means of a surface electronic reconstruction largely attributed to the participation of the unexpected local charge carriers (LCCs), which convert the HM double exchange surface state into a SmC superexchange state and in turn, stabilize the surface as well. On the basis of the LCCs model, a new insight into the surface reconstruction rules is attained. Our novel finding not only provided an evident interpretation for the widely observed SmC character of Cr O2 surface, but also offered a novel means to improve the HM surface states for a variety of applications in spintronics and superconductors, and promote the experimental realization of the quantum anomalous Hall effect in half-metal based systems.

  1. Quantum beats from the coherent interaction of hole states with surface state in near-surface quantum well

    Energy Technology Data Exchange (ETDEWEB)

    Khan, Salahuddin; Jayabalan, J., E-mail: jjaya@rrcat.gov.in; Chari, Rama; Pal, Suparna [Laser Physics Applications Section, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India); Porwal, Sanjay; Sharma, Tarun Kumar; Oak, S. M. [Semiconductor Physics and Devices Lab., Solid State Laser Division, Raja Ramanna Centre for Advanced Technology, Indore 452013 (India)

    2014-08-18

    We report tunneling assisted beating of carriers in a near-surface single GaAsP/AlGaAs quantum well using transient reflectivity measurement. The observed damped oscillating signal has a period of 120 ± 6 fs which corresponds to the energy difference between lh1 and hh2 hole states in the quantum well. Comparing the transient reflectivity signal at different photon energies and with a buried quantum well sample, we show that the beating is caused by the coherent coupling between surface state and the hole states (lh1 and hh2) in the near-surface quantum well. The dependence of decay of coherence of these tunneling carriers on the excitation fluence is also reported. This observation on the coherent tunneling of carrier is important for future quantum device applications.

  2. Quantum beats from the coherent interaction of hole states with surface state in near-surface quantum well

    International Nuclear Information System (INIS)

    Khan, Salahuddin; Jayabalan, J.; Chari, Rama; Pal, Suparna; Porwal, Sanjay; Sharma, Tarun Kumar; Oak, S. M.

    2014-01-01

    We report tunneling assisted beating of carriers in a near-surface single GaAsP/AlGaAs quantum well using transient reflectivity measurement. The observed damped oscillating signal has a period of 120 ± 6 fs which corresponds to the energy difference between lh1 and hh2 hole states in the quantum well. Comparing the transient reflectivity signal at different photon energies and with a buried quantum well sample, we show that the beating is caused by the coherent coupling between surface state and the hole states (lh1 and hh2) in the near-surface quantum well. The dependence of decay of coherence of these tunneling carriers on the excitation fluence is also reported. This observation on the coherent tunneling of carrier is important for future quantum device applications.

  3. Large optical conductivity of Dirac semimetal Fermi arc surface states

    Science.gov (United States)

    Shi, Li-kun; Song, Justin C. W.

    2017-08-01

    Fermi arc surface states, a hallmark of topological Dirac semimetals, can host carriers that exhibit unusual dynamics distinct from that of their parent bulk. Here we find that Fermi arc carriers in intrinsic Dirac semimetals possess a strong and anisotropic light-matter interaction. This is characterized by a large Fermi arc optical conductivity when light is polarized transverse to the Fermi arc; when light is polarized along the Fermi arc, Fermi arc optical conductivity is significantly muted. The large surface spectral weight is locked to the wide separation between Dirac nodes and persists as a large Drude weight of Fermi arc carriers when the system is doped. As a result, large and anisotropic Fermi arc conductivity provides a novel means of optically interrogating the topological surfaces states of Dirac semimetals.

  4. Final state effects in photoemission studies of Fermi surfaces

    International Nuclear Information System (INIS)

    Kurtz, Richard L; Browne, Dana A; Mankey, Gary J

    2007-01-01

    Photoelectron spectroscopy is one of the most important methods for extracting information about the Fermi surface (FS) of materials. An electron photoexcited from the FS is emitted from the crystal conserving the parallel momentum, k parallel , while the perpendicular momentum k perpendicular is reduced due to the surface potential barrier. A simple interpretation of the process assumes the final state is free-electron-like allowing one to 'map' the detected photoelectron back to its initial k momentum. There are multiple final state effects that can complicate the interpretation of photoelectron data and these effects are reviewed here. These can involve both energy and k broadening, which can give rise to shadow or ghost FS contours, scattering and final state diffraction effects that modify intensities, and matrix element effects which reflect the symmetries of the states involved and can be highly dependent on photon polarization. These matrix elements result in contours of photoelectron intensity that follow the dispersion in k-space of the initial state, the FS, and the final state. Locations where intensities go to zero due to matrix element and symmetry effects can result in gaps where FS contours 'disappear'. Recognition that these effects can play a significant role in determining the measured angular distributions is crucial in developing an informed model of where the FS contours actually lie in relation to measured intensity contours

  5. Eta products, BPS states and K3 surfaces

    Energy Technology Data Exchange (ETDEWEB)

    He, Yang-Hui [Department of Mathematics, City University,London, EC1V 0HB (United Kingdom); School of Physics, NanKai University,Tianjin, 300071 (China); Merton College, University of Oxford,Oxford, OX14JD (United Kingdom); McKay, John [Department of Mathematics and Statistics, Concordia University,1455 de Maisonneuve Blvd. West, Montreal, Quebec, H3G 1M8 (Canada)

    2014-01-22

    Inspired by the multiplicative nature of the Ramanujan modular discriminant, Δ, we consider physical realizations of certain multiplicative products over the Dedekind eta-function in two parallel directions: the generating function of BPS states in certain heterotic orbifolds and elliptic K3 surfaces associated to congruence subgroups of the modular group. We show that they are, after string duality to type II, the same K3 surfaces admitting Nikulin automorphisms. In due course, we will present identities arising from q-expansions as well as relations to the sporadic Mathieu group M{sub 24}.

  6. Band mapping of surface states vs. adsorbate coverage

    International Nuclear Information System (INIS)

    Rotenberg, E.; Kevan, S.D.; Denlinger, J.D.; Chung, Jin-Wook

    1997-01-01

    The theory of electron bands, which arises from basic quantum mechanical principles, has been the cornerstone of solid state physics for over 60 years. Simply put, an energy band is an electron state in a solid whose energy varies with its momentum (similar to, but with a more complicated dependence than, how a free electron's energy is proportional to its momentum squared). Much attention over the last 15 years has been given to the study of band structure of surfaces and interfaces, especially as the applications of these two-dimensional systems have become increasingly important to industry and science. The ultraESCA endstation at beamline 7.01 at the Advanced Light Source was developed for very high-energy - (∼50 meV) and angular - ( 12 photons/sec) makes the detailed study of the evolution of bands possible. The authors are interested in learning how, when one forms a chemical bond between a metal and an overlaying atom or molecule, the resulting charge transfer to or from the adsorbate affects the surface bands. In some cases of interest, intermediate coverages lead to different band structure than at the extremes of clean and saturated surfaces. Surfaces of tungsten are particularly interesting, as their atomic geometry has been shown to be exquisitely sensitive to both the surface vibrational and electronic properties. In this study, the authors looked at the surface bands of tungsten ((110) surface), as a function both of coverage and mass of overlaying atoms. The adsorbed atoms were hydrogen and the alkali atoms lithium and cesium

  7. Free energy surfaces in the superconducting mixed state

    Science.gov (United States)

    Finnemore, D. K.; Fang, M. M.; Bansal, N. P.; Farrell, D. E.

    1989-01-01

    The free energy surface for Tl2Ba2Ca2Cu3O1O has been measured as a function of temperature and magnetic field to determine the fundamental thermodynamic properties of the mixed state. The change in free energy, G(H)-G(O), is found to be linear in temperature over a wide range indicating that the specific heat is independent of field.

  8. Surface States and Effective Surface Area on Photoluminescent P-Type Porous Silicon

    Science.gov (United States)

    Weisz, S. Z.; Porras, A. Ramirez; Resto, O.; Goldstein, Y.; Many, A.; Savir, E.

    1997-01-01

    The present study is motivated by the possibility of utilizing porous silicon for spectral sensors. Pulse measurements on the porous-Si/electrolyte system are employed to determine the surface effective area and the surface-state density at various stages of the anodization process used to produce the porous material. Such measurements were combined with studies of the photoluminescence spectra. These spectra were found to shift progressively to the blue as a function of anodization time. The luminescence intensity increases initially with anodization time, reaches a maximum and then decreases with further anodization. The surface state density, on the other hand, increases with anodization time from an initial value of about 2 x 10(exp 12)/sq cm surface to about 1013 sq cm for the anodized surface. This value is attained already after -2 min anodization and upon further anodization remains fairly constant. In parallel, the effective surface area increases by a factor of 10-30. This behavior is markedly different from the one observed previously for n-type porous Si.

  9. Nitride surface passivation of GaAs nanowires: impact on surface state density.

    Science.gov (United States)

    Alekseev, Prokhor A; Dunaevskiy, Mikhail S; Ulin, Vladimir P; Lvova, Tatiana V; Filatov, Dmitriy O; Nezhdanov, Alexey V; Mashin, Aleksander I; Berkovits, Vladimir L

    2015-01-14

    Surface nitridation by hydrazine-sulfide solution, which is known to produce surface passivation of GaAs crystals, was applied to GaAs nanowires (NWs). We studied the effect of nitridation on conductivity and microphotoluminescence (μ-PL) of individual GaAs NWs using conductive atomic force microscopy (CAFM) and confocal luminescent microscopy (CLM), respectively. Nitridation is found to produce an essential increase in the NW conductivity and the μ-PL intensity as well evidence of surface passivation. Estimations show that the nitride passivation reduces the surface state density by a factor of 6, which is of the same order as that found for GaAs/AlGaAs nanowires. The effects of the nitride passivation are also stable under atmospheric ambient conditions for six months.

  10. Internal state distributions of molecules scattering and desorbing from surfaces

    International Nuclear Information System (INIS)

    Auerbach, D.J.

    1983-01-01

    Attempts are made to interpret scattering experiments of NO molecules on Ag(111) where a (rotational) state-specific detector has been used. A model using an anisotropic potential is proposed to explain the observed incoming energy- and angle dependence. The so-called rotational rainbows are explained. It is concluded, that in this way information on intermolecular potentials and the transfer of translational to rotational energy in the dynamics of trapping and sticking of molecules on surfaces can be extracted. (G.Q.)

  11. Surface acoustic wave solid-state rotational micromotor

    Science.gov (United States)

    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.

  12. Terrestrial Ecosystems - Land Surface Forms of the Conterminous United States

    Science.gov (United States)

    Cress, Jill J.; Sayre, Roger G.; Comer, Patrick; Warner, Harumi

    2009-01-01

    As part of an effort to map terrestrial ecosystems, the U.S. Geological Survey has generated land surface form classes to be used in creating maps depicting standardized, terrestrial ecosystem models for the conterminous United States, using an ecosystems classification developed by NatureServe . A biophysical stratification approach, developed for South America and now being implemented globally, was used to model the ecosystem distributions. Since land surface forms strongly influence the differentiation and distribution of terrestrial ecosystems, they are one of the key input layers in this biophysical stratification. After extensive investigation into various land surface form mapping methodologies, the decision was made to use the methodology developed by the Missouri Resource Assessment Partnership (MoRAP). MoRAP made modifications to Hammond's land surface form classification, which allowed the use of 30-meter source data and a 1-km2 window for analyzing the data cell and its surrounding cells (neighborhood analysis). While Hammond's methodology was based on three topographic variables, slope, local relief, and profile type, MoRAP's methodology uses only slope and local relief. Using the MoRAP method, slope is classified as gently sloping when more than 50 percent of the area in a 1-km2 neighborhood has slope less than 8 percent, otherwise the area is considered moderately sloping. Local relief, which is the difference between the maximum and minimum elevation in a neighborhood, is classified into five groups: 0-15 m, 16-30 m, 31-90 m, 91-150 m, and >150 m. The land surface form classes are derived by combining slope and local relief to create eight landform classes: flat plains (gently sloping and local relief = 90 m), low hills (not gently sloping and local relief = 150 m). However, in the USGS application of the MoRAP methodology, an additional local relief group was used (> 400 m) to capture additional local topographic variation. As a result, low

  13. State-to-state inelastic and reactive molecular beam scattering from surfaces

    International Nuclear Information System (INIS)

    Lykke, K.R.; Kay, B.D.

    1990-01-01

    Resonantly enhanced multiphoton ionization (REMPI) laser spectroscopic and molecular beam-surface scattering techniques are coupled to study inelastic and reactive gas-surface scattering with state-to-state specificity. Rotational, vibrational, translational and angular distributions have been measured for the inelastic scattering of HCI and N 2 from Au(111). In both cases the scattering is direct-inelastic in nature and exhibits interesting dynamical features such as rotational rainbow scattering. In an effort to elucidate the dynamics of chemical reactions occurring on surfaces we have extended our quantum-resolved scattering studies to include the reactive scattering of a beam of gas phase H-atoms from a chlorinated metal surface M-CI. The nascent rotational and vibrational distributions of the HCI product are determined using REMPI. The thermochemistry for this reaction on Au indicates that the product formation proceeding through chemisorbed H-atoms is slightly endothermic while direct reaction of a has phase H-atom with M-CI is highly exothermic (ca. 50 kcal/mole). Details of the experimental techniques, results and implications regarding the scattering dynamics are discussed. 55 ref., 8 fig

  14. Potential Energy Surface of NO on Pt(997: Adsorbed States and Surface Diffusion

    Directory of Open Access Journals (Sweden)

    N. Tsukahara

    2012-01-01

    Full Text Available The potential energy surface (PES of NO on Pt(997 has been elucidated: the adsorption states and diffusion processes of NO on Pt(997 at low coverage were investigated by using infrared reflection absorption spectroscopy (IRAS and scanning tunneling microscopy (STM. When NO molecules adsorb on a surface at a low temperature (11 K, each molecule transiently migrates on the surface from the first impact point to a possible adsorption site. We found that there are four stable adsorption sites for NO on Pt(997: a bridge site of the upper step, an fcc- (or hcp- hollow site of the terrace, an on-top site of the terrace, and an fcc-hollow site of the lower step. At higher temperatures above 45 K, NO molecules start to migrate thermally to more stable adsorption sites on a terrace, and they are finally trapped at the bridge sites of the step, which are the most stable among the four sites.

  15. On surface states and star-subalgebras in string field theory

    Energy Technology Data Exchange (ETDEWEB)

    Fuchs, Ehud [Max Planck Insitut fuer Gravitationsphysik, Albert Einstein Institut, 14476 Golm (Germany); Kroyter, Michael [School of Physics and Astronomy, Raymond and Beverly Sackler Faculty of Exact Sciences, Tel Aviv University, Ramat Aviv, 69978 (Israel)]. E-mail: mikroyt@post.tau.ac.il

    2004-10-01

    We elaborate on the relations between surface states and squeezed states. First, we investigate two different criteria for determining whether a matter sector squeezed state is also a surface state and show that the two criteria are equivalent. Then, we derive similar criteria for the ghost sector. Next, we refine the criterion for determining whether a surface state is in H{sub k}{sup 2}, the subalgebra of squeezed states obeying [S,K{sub 1}{sup 2}]=0. This enables us to find all the surface states of the H{sub k}{sup 2} subalgebra, and show that it consists only of wedge states and (hybrid) butterflies. Finally, we investigate generalizations of this criterion and find an infinite family of surface states subalgebras, whose surfaces are described using a 'generalized Schwarz-Christoffel' mapping. (author)

  16. History of surface weather observations in the United States

    Science.gov (United States)

    Fiebrich, Christopher A.

    2009-04-01

    In this paper, the history of surface weather observations in the United States is reviewed. Local weather observations were first documented in the 17th Century along the East Coast. For many years, the progression of a weather observation from an initial reading to dissemination remained a slow and laborious process. The number of observers remained small and unorganized until agencies including the Surgeon General, Army, and General Land Office began to request regular observations at satellite locations in the 1800s. The Smithsonian was responsible for first organizing a large "network" of volunteer weather observers across the nation. These observers became the foundation for today's Cooperative Observer network. As applications of weather data continued to grow and users required the data with an ever-decreasing latency, automated weather networks saw rapid growth in the later part of the 20th century. Today, the number of weather observations across the U.S. totals in the tens of thousands due largely to privately-owned weather networks and amateur weather observers who submit observations over the internet.

  17. Ion bombardment effects on surface states in selected oxide systems: rutile and alkaline earth titanates

    International Nuclear Information System (INIS)

    Gruen, D.M.

    1978-01-01

    In this paper, the nature of the surface states of n-type TiO 2 and SrTiO 3 is discussed and the role of ion bombardment in modifying the properties of these states is elucidated. Insofar as possible, the interrelationships between oxide nonstoichiometry, surface states, ion bombardment effects and photoelectrolysis are explored

  18. Ultrasonic Surface Treatment of Titanium Alloys. The Submicrocrystalline State

    Science.gov (United States)

    Klimenov, V. A.; Vlasov, V. A.; Borozna, V. Y.; Klopotov, A. A.

    2015-09-01

    The paper presents the results of the research on improvement of physical-and- mechanical properties of titanium alloys VT1-0 and VT6 by modification of surfaces using ultrasonic treatment, and a comprehensive study of the microstructure and mechanical properties of modified surface layers. It has been established that exposure to ultrasonic treatment leads to formation in the surface layer of a structure with an average size of elements 50 - 100 nm, depending on the brand of titanium alloy.

  19. Surface energies of metals in both liquid and solid states

    International Nuclear Information System (INIS)

    Aqra, Fathi; Ayyad, Ahmed

    2011-01-01

    Although during the last years one has seen a number of systematic studies of the surface energies of metals, the aim and the scientific meaning of this research is to establish a simple and a straightforward theoretical model to calculate accurately the mechanical and the thermodynamic properties of metal surfaces due to their important application in materials processes and in the understanding of a wide range of surface phenomena. Through extensive theoretical calculations of the surface tension of most of the liquid metals, we found that the fraction of broken bonds in liquid metals (f) is constant which is equal to 0.287. Using our estimated f value, the surface tension (γ m ), surface energy (γ SV ), surface excess entropy (-dγ/dT), surface excess enthalpy (H s ), coefficient of thermal expansion (α m and α b ), sound velocity (c m ) and its temperature coefficient (-dc/dT) have been calculated for more than sixty metals. The results of the calculated quantities agree well with available experimental data.

  20. Effect of surface states on the electrochemical behaviour of single crystal n-ZnSe photoelectrode

    International Nuclear Information System (INIS)

    El-Dessouki, M.S.

    1987-10-01

    Surface Photovoltage Spectroscopy (SPS) technique has been used to detect the surface states of ZnSe (110) surfaces. Aqueous electrolyte/ZnSe junction has been electrochemically investigated in dark and under illumination. The effect of surface states on the kinetics of charge transfer through the semiconductor-electrolyte (S/E) junction has been discussed. The low leakage and photocurrents measured by the application of DC bias were referred to the blocking nature of S/E interface, in which the localized and induced surface states play an important role. (author). 19 refs, 4 figs

  1. Unoccupied Surface State on Ag(110) as Revealed by Inverse Photoemission

    Science.gov (United States)

    Reihl, B.; Schlittler, R. R.; Neff, H.

    1984-05-01

    By use of the new technique of k-resolved inverse photoemission spectroscopy, an unoccupied s-like surface state on Ag(110) has been detected, which lies within the projected L2'-->L1 gap of the bulk. At the X¯ point of the surface Brillouin zone, the energy of the surface state is 1.65 eV above the Fermi level EF, and exhibits a band dispersion E(k∥) towards higher energies. The surface-state emission is immediately quenched when the surface is exposed to very small amounts of oxygen or hydrogen.

  2. Spin-resolved photoemission of surface states of W(110)-(1x1)H

    International Nuclear Information System (INIS)

    Hochstrasser, M.; Tobin, J.G.; Rotenberg, Eli; Kevan, S.D.

    2002-01-01

    The surface electronic states of W(110)-(1x1)H have been measured using spin- and angle-resolved photoemission. We directly demonstrate that the surface bands are both split and spin-polarized by the spin-orbit interaction in association with the loss of inversion symmetry near a surface. We observe 100 percent spin polarization of the surface states, with the spins aligned in the plane of the surface and oriented in a circular fashion relative to the S-bar symmetry point. In contrast, no measurable polarization of nearby bulk states is observed

  3. State of the art: Asphalt for airport pavement surfacing

    Directory of Open Access Journals (Sweden)

    Greg White

    2018-01-01

    Full Text Available Airport runways and taxiways are commonly comprised of a flexible pavement with an asphalt surface. Marshall-designed asphalt with sawn grooves is the most frequent airport asphalt surface material. However, some airports have adopted alternate asphalt mixtures for improved resistance to shear stress and for increased surface texture, allowing grooving to be avoided. Of the alternate asphalt mixtures, stone mastic asphalt is the most commonly reported. Resistance to shear stress is a critical performance requirement for airport surface asphalt. Shear stress resistance minimises the risk of rutting, shoving and groove closure. However, fracture resistance must not be ignored when developing even more shear resistance asphalt mixtures. Significant distress in airport asphalt surfaces, compliant with the traditional prescriptive specification, has increased interest in a performance-based airport asphalt specification. Commonly reported distresses include groove closure in slow moving aircraft areas and shearing in heavy aircraft braking zones. Development of reliable performance-indicative test methods is expected in the future and will enable warranted performance-based asphalt mixture design for airport surfaces. Keywords: Airport, Pavement, Asphalt, Surface

  4. The current state of bearing surfaces in total hip replacement.

    Science.gov (United States)

    Rajpura, A; Kendoff, D; Board, T N

    2014-02-01

    We reviewed the literature on the currently available choices of bearing surface in total hip replacement (THR). We present a detailed description of the properties of articulating surfaces review the understanding of the advantages and disadvantages of existing bearing couples. Recent technological developments in the field of polyethylene and ceramics have altered the risk of fracture and the rate of wear, although the use of metal-on-metal bearings has largely fallen out of favour, owing to concerns about reactions to metal debris. As expected, all bearing surface combinations have advantages and disadvantages. A patient-based approach is recommended, balancing the risks of different options against an individual's functional demands.

  5. Selection of conformational states in surface self-assembly for a molecule with eight possible pairs of surface enantiomers

    DEFF Research Database (Denmark)

    Nuermaimaiti, Ajiguli; Schultz-Falk, Vickie; Lind Cramer, Jacob

    2016-01-01

    Self-assembly of a molecule with many distinct conformational states, resulting in eight possible pairs of surface enantiomers, is investigated on a Au(111) surface under UHV conditions. The complex molecule is equipped with alkyl and carboxyl moieties to promote controlled self-assembly of lamel......Self-assembly of a molecule with many distinct conformational states, resulting in eight possible pairs of surface enantiomers, is investigated on a Au(111) surface under UHV conditions. The complex molecule is equipped with alkyl and carboxyl moieties to promote controlled self......-assembly of lamellae structures. From statistical analysis of Scanning Tunnelling Microscopy (STM) data we observe a clear selection of specific conformational states after self-assembly. Using Density Functional Theory (DFT) calculations we rationalise how this selection is correlated to the orientation of the alkyl...

  6. A Surface-Mounted Rotor State Sensing System, Phase I

    Data.gov (United States)

    National Aeronautics and Space Administration — A surface-mounted instrumentation system for measuring rotor blade motions on rotorcraft, for use both in flight and in wind tunnel testing, is proposed for...

  7. Topological surface states of Bi{sub 2}Te{sub 2}Se are robust against surface chemical modification

    Energy Technology Data Exchange (ETDEWEB)

    Thomas, Conor R.; Sahasrabudhe, Girija; Kushwaha, Satya Kumar; Cava, Robert J.; Schwartz, Jeffrey [Department of Chemistry, Princeton University, Princeton, NJ (United States); Xiong, Jun [Department of Physics, Princeton University, Princeton, NJ (United States)

    2014-12-01

    The robustness of the Dirac-like electronic states on the surfaces of topological insulators (TIs) during materials process-ing is a prerequisite for their eventual device application. Here, the (001) cleavage surfaces of crystals of the topological insulator Bi{sub 2}Te{sub 2}Se (BTS) were subjected to several surface chemical modification procedures that are common for electronic materials. Through measurement of Shubnikov-de Hass (SdH) oscillations, which are the most sensitive measure of their quality, the surface states of the treated surfaces were compared to those of pristine BTS that had been exposed to ambient conditions. In each case - surface oxidation, deposition of thin layers of Ti or Zr oxides, or chemical modification of the surface oxides - the robustness of the topological surface electronic states was demonstrated by noting only very small changes in the frequency and amplitude of the SdH oscillations. (copyright 2014 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

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

    Directory of Open Access Journals (Sweden)

    Igor V. Silkin

    2017-12-01

    Full Text Available 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.

  9. One-dimensional versus two-dimensional electronic states in vicinal surfaces

    International Nuclear Information System (INIS)

    Ortega, J E; Ruiz-Oses, M; Cordon, J; Mugarza, A; Kuntze, J; Schiller, F

    2005-01-01

    Vicinal surfaces with periodic arrays of steps are among the simplest lateral nanostructures. In particular, noble metal surfaces vicinal to the (1 1 1) plane are excellent test systems to explore the basic electronic properties in one-dimensional superlattices by means of angular photoemission. These surfaces are characterized by strong emissions from free-electron-like surface states that scatter at step edges. Thereby, the two-dimensional surface state displays superlattice band folding and, depending on the step lattice constant d, it splits into one-dimensional quantum well levels. Here we use high-resolution, angle-resolved photoemission to analyse surface states in a variety of samples, in trying to illustrate the changes in surface state bands as a function of d

  10. Thermoelectric Transport by Surface States in Bi2Se3-Based Topological Insulator Thin Films

    International Nuclear Information System (INIS)

    Li Long-Long; Xu Wen

    2015-01-01

    We develop a tractable theoretical model to investigate the thermoelectric (TE) transport properties of surface states in topological insulator thin films (TITFs) of Bi 2 Se 3 at room temperature. The hybridization between top and bottom surface states in the TITF plays a significant role. With the increasing hybridization-induced surface gap, the electrical conductivity and electron thermal conductivity decrease while the Seebeck coefficient increases. This is due to the metal-semiconductor transition induced by the surface-state hybridization. Based on these TE transport coefficients, the TE figure-of-merit ZT is evaluated. It is shown that ZT can be greatly improved by the surface-state hybridization. Our theoretical results are pertinent to the exploration of the TE transport properties of surface states in TITFs and to the potential application of Bi 2 Se 3 -based TITFs as high-performance TE materials and devices. (paper)

  11. Electronic interconnects and devices with topological surface states and methods for fabricating same

    Science.gov (United States)

    Yazdani, Ali; Ong, N. Phuan; Cava, Robert J.

    2016-05-03

    An interconnect is disclosed with enhanced immunity of electrical conductivity to defects. The interconnect includes a material with charge carriers having topological surface states. Also disclosed is a method for fabricating such interconnects. Also disclosed is an integrated circuit including such interconnects. Also disclosed is a gated electronic device including a material with charge carriers having topological surface states.

  12. Surface states of a system of Dirac fermions: A minimal model

    International Nuclear Information System (INIS)

    Volkov, V. A.; Enaldiev, V. V.

    2016-01-01

    A brief survey is given of theoretical works on surface states (SSs) in Dirac materials. Within the formalism of envelope wave functions and boundary conditions for these functions, a minimal model is formulated that analytically describes surface and edge states of various (topological and nontopological) types in several systems with Dirac fermions (DFs). The applicability conditions of this model are discussed.

  13. Surface states of a system of Dirac fermions: A minimal model

    Energy Technology Data Exchange (ETDEWEB)

    Volkov, V. A., E-mail: volkov.v.a@gmail.com; Enaldiev, V. V. [Russian Academy of Sciences, Kotel’nikov Institute of Radio Engineering and Electronics (Russian Federation)

    2016-03-15

    A brief survey is given of theoretical works on surface states (SSs) in Dirac materials. Within the formalism of envelope wave functions and boundary conditions for these functions, a minimal model is formulated that analytically describes surface and edge states of various (topological and nontopological) types in several systems with Dirac fermions (DFs). The applicability conditions of this model are discussed.

  14. Electronic interconnects and devices with topological surface states and methods for fabricating same

    Energy Technology Data Exchange (ETDEWEB)

    Yazdani, Ali; Ong, N. Phuan; Cava, Robert J.

    2017-04-04

    An interconnect is disclosed with enhanced immunity of electrical conductivity to defects. The interconnect includes a material with charge carriers having topological surface states. Also disclosed is a method for fabricating such interconnects. Also disclosed is an integrated circuit including such interconnects. Also disclosed is a gated electronic device including a material with charge carriers having topological surface states.

  15. Modelling episodic acidification of surface waters: the state of science.

    Science.gov (United States)

    Eshleman, K N; Wigington, P J; Davies, T D; Tranter, M

    1992-01-01

    Field studies of chemical changes in surface waters associated with rainfall and snowmelt events have provided evidence of episodic acidification of lakes and streams in Europe and North America. Modelling these chemical changes is particularly challenging because of the variability associated with hydrological transport and chemical transformation processes in catchments. This paper provides a review of mathematical models that have been applied to the problem of episodic acidification. Several empirical approaches, including regression models, mixing models and time series models, support a strong hydrological interpretation of episodic acidification. Regional application of several models has suggested that acidic episodes (in which the acid neutralizing capacity becomes negative) are relatively common in surface waters in several regions of the US that receive acid deposition. Results from physically based models have suggested a lack of understanding of hydrological flowpaths, hydraulic residence times and biogeochemical reactions, particularly those involving aluminum. The ability to better predict episodic chemical responses of surface waters is thus dependent upon elucidation of these and other physical and chemical processes.

  16. Evidence of circular Rydberg states in beam-foil experiments: Role of the surface wake field

    Science.gov (United States)

    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.

  17. Charge state analysis of heavy ions after penetration of uncleaned and sputter cleaned conducting surfaces

    International Nuclear Information System (INIS)

    Jung, M.; Schosnig, M.; Kroneberger, K.; Tobisch, M.; Maier, R.; Kuzel, M.; Fiedler, C.; Hofmann, D.; Groeneveld, K.O.

    1994-01-01

    The evolution of the charge state distribution of fast ions inside a solid is of basic interest in various research fields as stopping power measurements etc. The existing models for the charge state evolution differ in the treatment of the projectile-exit-surface interaction, which has a strong influence on the final charge state distributions. We measured the charge state distributions for C + , N + , and O + (30≤E/M≤130 keV/u) impact on thin C, Cu, and Au foils, where the surface properties were modified by sputter cleaning. The mesurements show a pronounced change of the mean projectile charge state to lower values in the case of sputter cleaned surfaces. This result underlines the importance of the projectile-surface interaction for the generation of the outcoming charge state distribution. (orig.)

  18. Optimized surface-slab excited-state muffin-tin potential and surface core level shifts

    International Nuclear Information System (INIS)

    Rundgren, J.

    2003-01-01

    An optimized muffin-tin (MT) potential for surface slabs with preassigned surface core-level shifts (SCLS's) is presented. By using the MT radii as adjustable parameters the model is able to conserve the definition of the SCLS with respect to the bulk and concurrently to generate a potential that is continuous at the MT radii. The model is conceived for elastic electron scattering in a surface slab with exchange-correlation interaction described by the local density approximation. The model employs two data bases for the self-energy of the signal electron (after Hedin and Lundqvist or Sernelius). The potential model is discussed in detail with two surface structures Be(101-bar0), for which SCLS's are available, and Cu(111)p(2x2)Cs, in which the close-packed radii of the atoms are extremely different. It is considered plausible that tensor LEED based on an optimized MT potential can be used for determining SCLS's

  19. Appearance of the minority dz2 surface state and disappearance of the image-potential state: Criteria for clean Fe(001)

    Science.gov (United States)

    Eibl, Christian; Schmidt, Anke B.; Donath, Markus

    2012-10-01

    The unoccupied surface electronic structure of clean and oxidized Fe(001) was studied with spin-resolved inverse photoemission and target current spectroscopy. For the clean surface, we detected a dz2 surface state with minority spin character just above the Fermi level, while the image-potential surface state disappears. The opposite is observed for the ordered p(1×1)O/Fe(001) surface: the dz2-type surface state is quenched, while the image-potential state shows up as a pronounced feature. This behavior indicates enhanced surface reflectivity at the oxidized surface. The appearance and disappearance of specific unoccupied surface states prove to be decisive criteria for a clean Fe(001) surface. In addition, enhanced spin asymmetry in the unoccupied states is observed for the oxidized surface. Our results have implications for the use of clean and oxidized Fe(001) films as spin-polarization detectors.

  20. Electronic-state control of amino acids on semiconductor surfaces

    International Nuclear Information System (INIS)

    Oda, Masato; Nakayama, Takashi

    2005-01-01

    Electronic structures of amino acids on the Si(1 1 1) surfaces are investigated by using ab initio Hartree-Fock calculations. It is shown that among various polar amino acids, a histidine is the only one that can be positively ionized when hole carriers are supplied in the Si substrate, by transferring the hole charge from Si substrate to an amino acid. This result indicates that the ionization of a histidine, which will activate the protein functions, can be controlled electrically by producing amino acid/Si junctions

  1. State boundary surface of a hypoplastic model for clays

    Czech Academy of Sciences Publication Activity Database

    Mašín, David; Herle, Ivo

    2005-01-01

    Roč. 32, č. 6 (2005), s. 400-410 ISSN 0266-352X R&D Projects: GA ČR(CZ) GA103/04/0672 Grant - others:Evropská komise SSPI-CT-2003-501837 Institutional research plan: CEZ:AV0Z20710524 Keywords : hypoplasticity * clay * limit state Subject RIV: JM - Building Engineering Impact factor: 0.562, year: 2005

  2. Surface plasmon resonance phenomenon of the insulating state polyaniline

    Energy Technology Data Exchange (ETDEWEB)

    Umiati, Ngurah Ayu Ketut, E-mail: ngurahayuketutumiati@gmail.com [Jurusan Fisika FMIPA UGM, Sekip Utara Yogyakarta, 55281 (Indonesia); Jurusan Fisika FMIPA Universitas Diponegoro, Jalan Prof. Soedarto, SH Tembalang Semarang 50275 (Indonesia); Triyana, Kuwat; Kamsul [Jurusan Fisika FMIPA UGM, Sekip Utara Yogyakarta, 55281 (Indonesia)

    2015-04-16

    Surface Plasmon Resonance (SPR) phenomenon of the insulating polyaniline (PANI) is has been observed. Surface Plasmon (SP) is the traveled electromagnetic wave that passes through the interface of dielectric metal and excited by attenuated total reflection (ATR) method in Kretschmannn configuration (Au-PANI prism). The resonance condition is observed through the angle of SPR in such condition that SP wave is coupled by the evanescent constant of laser beam. In this research, the laser beam was generated by He–Ne and its wavelength (λ) was 632,8 nm. SPR curve is obtained through observation of incidence angles of the laser beam in prism. SPR phenomenon at the boundary between Au – PANI layer has showed by reflection dip when the laser beam passes through the prism. In this early study, the observation was carried out through simulation Winspall 3.02 software and preliminary compared with some experimental data reported in other referred literatures. The results shows that the optimum layer of Au and polyaniline are 50 and 1,5 nm thick respectively. Our own near future experimental work would be further performed and reported elsewhere.

  3. Optical absorption and oxygen passivation of surface states in III-nitride photonic devices

    Science.gov (United States)

    Rousseau, Ian; Callsen, Gordon; Jacopin, Gwénolé; Carlin, Jean-François; Butté, Raphaël; Grandjean, Nicolas

    2018-03-01

    III-nitride surface states are expected to impact high surface-to-volume ratio devices, such as nano- and micro-wire light-emitting diodes, transistors, and photonic integrated circuits. In this work, reversible photoinduced oxygen desorption from III-nitride microdisk resonator surfaces is shown to increase optical attenuation of whispering gallery modes by 100 cm-1 at λ = 450 nm. Comparison of photoinduced oxygen desorption in unintentionally and n+-doped microdisks suggests that the spectral changes originate from the unpinning of the surface Fermi level, likely taking place at etched nonpolar III-nitride sidewalls. An oxygen-rich surface prepared by thermal annealing results in a broadband Q improvement to state-of-the-art values exceeding 1 × 104 at 2.6 eV. Such findings emphasize the importance of optically active surface states and their passivation for future nanoscale III-nitride optoelectronic and photonic devices.

  4. Theoretical studies of positron states and annihilation characteristics at the oxidized Cu(100) surface

    Energy Technology Data Exchange (ETDEWEB)

    Fazleev, N. G. [Department of Physics, Box 19059, University of Texas at Arlington, Arlington Texas 76019 (United States) and Institute of Physics, Kazan Federal University, Kremlevskaya18, Kazan 420008 (Russian Federation); Weiss, A. H. [Department of Physics, Box 19059, University of Texas at Arlington, Arlington Texas 76019 (United States)

    2013-04-19

    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. An ab-initio study of the electronic properties of the Cu(100) missing row reconstructed surface at various on surface and sub-surface oxygen coverages has been performed on the basis of the density functional theory (DFT) using the Dmol3 code and the generalized gradient approximation (GGA). Surface structures in calculations have been constructed by adding oxygen atoms to various surface hollow and sub-surface octahedral sites of the 0.5 monolayer (ML) missing row reconstructed phase of the Cu(100) surface with oxygen coverages ranging from 0.5 to 1.5 ML. The charge redistribution at the surface and variations in atomic structure and chemical composition of the topmost layers associated with oxidation and surface reconstruction have been found to affect the spatial extent and localization of the positron surface state wave function and annihilation probabilities of surface trapped positrons with relevant core electrons. 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). It has been shown that positron annihilation probabilities with Cu 3s and 3p core electrons decrease when total (on-surface and sub-surface) oxygen coverage of the Cu(100) surface increases up to 1 ML. The calculations show that for high oxygen coverage when total oxygen coverage is 1. 5 ML the positron is not bound to the surface.

  5. Removal of dangling bonds and surface states on silicon (001) with a monolayer of selenium

    International Nuclear Information System (INIS)

    Tao Meng; Udeshi, Darshak; Basit, Nasir; Maldonado, Eduardo; Kirk, Wiley P.

    2003-01-01

    Dangling bonds and surface states are inherent to semiconductor surfaces. By passivating dangling bonds on the silicon (001) surface with a monolayer of selenium, surface states are removed from the band gap. Magnesium contacts on selenium-passivated silicon (001) behave ohmically, as expected from the work function of magnesium and the electron affinity of silicon. After rapid thermal annealing and hot-plate annealing, magnesium contacts on selenium-passivated silicon (001) show better thermal stability than on hydrogen-passivated silicon (001), which is attributed to the suppression of silicide formation by selenium passivation

  6. Solid state cesium ion guns for surface studies

    International Nuclear Information System (INIS)

    Souzis, A.E.; Carr, W.E.; Kim, S.I.; Seidl, M.

    1990-01-01

    Three cesium ion guns covering the energy range of 5--5000 V are described. These guns use a novel source of cesium ions that combine the advantages of porous metal ionizers with those of aluminosilicate emitters. Cesium ions are chemically stored in a solid electrolyte pellet and are thermionically emitted from a porous thin film of tungsten at the surface. Cesium supply to the emitting surface is controlled by applying a bias across the pellet. A total charge of 10.0 C can be extracted, corresponding to greater than 2000 h of lifetime with an extraction current of 1.0 μA. This source is compact, stable, and easy to use, and produces a beam with >99.5% purity. It requires none of the differential pumping or associated hardware necessary in designs using cesium vapor and porous tungsten ionizers. It has been used in ultrahigh-vacuum (UHV) experiments at pressures of -10 Torr with no significant gas load. Three different types of extraction optics are used depending on the energy range desired. For low-energy deposition, a simple space-charge-limited planar diode with a perveance of 1x10 -7 A/V 3/2 is used. Current densities of 10.0 μA/cm 2 at the exit aperture for energies ≤20 V are typical. This type of source provides an alternative to vapor deposition with the advantage of precise flux calibration by integration of the ion current. For energies from 50 to 500 V and typical beam radii of 0.5 to 0.2 mm, a high perveance Pierce-type ion gun is used. This gun was designed with a perveance of 1x10 -9 A/V 3/2 and produces a beam with an effective temperature of 0.35 eV. For the energy range of 0.5 to 5 keV, the Pierce gun is used in conjunction with two Einzel lenses, enabling a large range of imaging ratios to be obtained. Beam radii of 60 to 300 μm are typical for beam currents of 50 nA to 1.0 μA

  7. Study of Surface States at the Semiconductor/electrolyte Interface of Liquid-Junction Solar Cells.

    Science.gov (United States)

    Siripala, Withana P.

    The existence of surface states at the semiconductor electrolyte interface of photoelectrochemical (PEC) cells plays a major role in determining the performance of the device in regard to the potential distribution and transport mechanisms of photogenerated carriers at the interface. We have investigated the n-TiO(,2)/electrolyte interface using three experimental techniques: relaxation spectrum analysis, photocurrent spectroscopy, and electrolyte electroreflectance (EER) spectroscopy. The effect of Fermi level pinning at the CdIn(,2)SE(,4)/aqueous-polysulfide interface was also studied using EER. Three distinct surface states were observed at the n-TiO(,2)/aqueous-electrolyte interface. The dominant state, which tails from the conduction band edge, is primarily responsible for the surface recombination of photocarriers at the interface. The second surface state, observed at 0.8 eV below the conduction band of TiO(,2), originates in the dark charge transfer intermediates (TiO(,2)-H). It is proposed that the sub-bandgap (SBG) photocurrent-potential behavior is a result of the mechanism of dynamic formation and annihilation of these surface states. The third surface state was at 1.3 eV below the conduction band of TiO(,2), and the SBG EER measurements show this state is "intrinsic" to the surface. These states were detected with SBG EER and impedance measurements in the presence of electrolytes that can adsorb on the surface of TiO(,2). Surface concentration of these states was evaluated with impedance measurements. EER measurements on a CdIn(,2)Se(,4)/polysulfide system have shown that the EER spectrum is sensitive to the surface preparation of the sample. The EER signal was quenched as the surface was driven to strong depletion, owing to Fermi level pinning at the interface in the presence of a high density of surface states. The full analysis of this effect enables us to measure the change in the flatband potential, as a function of the electrode potential, and

  8. Geometric effects on surface states in topological insulator Bi2Te3 nanowire

    Science.gov (United States)

    Sengupta, Parijat; Kubis, Tillman; Povolotskyi, Michael; Klimeck, Gerhard

    2012-02-01

    Bismuth Telluride (BT) is a 3D topological insulator (TI) with surface states that have energy dispersion linear in momentum and forms a Dirac cone at low energy. In this work we investigate the surface properties of a BT nanowire and demonstrate the existence of TI states. We also show how such states vanish under certain geometric conditions. An atomistic model (sp3d5s* TB) is used to compute the energy dispersion in a BT nanowire. Penetration depth of the surface states is estimated by ratio of Fermi velocity and band-gap. BT possesses a tiny band-gap, which creates small localization of surface states and greater penetration in to the bulk. To offset this large spatial penetration, which is undesirable to avoid a direct coupling between surfaces, we expect that bigger cross-sections of BT nanowires would be needed to obtain stable TI states. Our numerical work validates this prediction. Furthermore, geometry of the nanowire is shown to influence the TI states. Using a combined analytical and numerical approach our results reveal that surface roughness impact electronic structure leading to Rashba type splits along z-direction. Cylindrical and square cross-sections are given as illustrative examples.

  9. Direct measurement of surface-state conductance by microscopic four-point probe method

    DEFF Research Database (Denmark)

    Hasegawa, S.; Shiraki, I.; Tanikawa, T.

    2002-01-01

    For in situ measurements of local electrical conductivity of well defined crystal surfaces in ultrahigh vacuum, we have developed microscopic four-point probes with a probe spacing of several micrometres, installed in a scanning-electron - microscope/electron-diffraction chamber. The probe...... is precisely positioned on targeted areas of the sample surface by using piezoactuators. This apparatus enables conductivity measurement with extremely high surface sensitivity, resulting in direct access to surface-state conductivity of the surface superstructures, and clarifying the influence of atomic steps...

  10. Influence of refraction of p-polarized light on photoemission from metallic surface states

    International Nuclear Information System (INIS)

    Bagchi, A.; Barrera, R.G.

    1979-01-01

    The refraction of p-polarized light at a metal surface leads, under certain circumstances, to a large peak in the spatial distribution of the normal component of the electric field near the surface. The origin of this peak is explained both in terms of a classical correspondence and in terms of a theory based on the non-local dielectric response of the metal surface. The significance of the large magnitude and rapid variation of the surface electric field in exciting photoelectrons from surface states is discussed [pt

  11. Surface State Capture Cross-Section at the Interface between Silicon and Hafnium Oxide

    Directory of Open Access Journals (Sweden)

    Fu-Chien Chiu

    2013-01-01

    Full Text Available The interfacial properties between silicon and hafnium oxide (HfO2 are explored by the gated-diode method and the subthreshold measurement. The density of interface-trapped charges, the current induced by surface defect centers, the surface recombination velocity, and the surface state capture cross-section are obtained in this work. Among the interfacial properties, the surface state capture cross-section is approximately constant even if the postdeposition annealing condition is changed. This effective capture cross-section of surface states is about 2.4 × 10−15 cm2, which may be an inherent nature in the HfO2/Si interface.

  12. Another way of looking at bonding on bimetallic surfaces: the role of spin polarization of surface metal d states

    International Nuclear Information System (INIS)

    Escano, M C; Nguyen, T Q; Nakanishi, H; Kasai, H

    2009-01-01

    The nature of electronic and chemical properties of an unstrained Pt monolayer on a 3d transition metal substrate, M (M = Cr, Mn, Fe), is studied using spin-polarized density functional theory calculations. High spin polarization of Pt d states is noted, verifying the magnetization induced on Pt, which is observed to be responsible for redirecting the analysis of bond formation on a metal surface towards a different perspective. While the shift in the Pt d band center (the average energy of the Pt d band, commonly used to predict the reactivity of surfaces) does give the expected trend in adsorbate (oxygen) chemisorption energy across the bimetallic surfaces in this work, our results show that for spin-polarized Pt d states, the variation in strength of adsorption with respect to the Fermi level density of states is more predictive of Pt chemisorption properties. Hence, this study introduces a scheme for analyzing trends in reactivity of bimetallic surfaces where adsorption energies are used as reactivity parameters and where spin polarization effects cannot be neglected. (fast track communication)

  13. The Acylation State of Surface Lipoproteins of Mollicute Acholeplasma laidlawii*

    Science.gov (United States)

    Serebryakova, Marina V.; Demina, Irina A.; Galyamina, Maria A.; Kondratov, Ilya G.; Ladygina, Valentina G.; Govorun, Vadim M.

    2011-01-01

    Acylation of the N-terminal Cys residue is an essential, ubiquitous, and uniquely bacterial posttranslational modification that allows anchoring of proteins to the lipid membrane. In Gram-negative bacteria, acylation proceeds through three sequential steps requiring lipoprotein diacylglyceryltransferase, lipoprotein signal peptidase, and finally lipoprotein N-acyltransferase. The apparent lack of genes coding for recognizable homologs of lipoprotein N-acyltransferase in Gram-positive bacteria and Mollicutes suggests that the final step of the protein acylation process may be absent in these organisms. In this work, we monitored the acylation state of eight major lipoproteins of the mollicute Acholeplasma laidlawii using a combination of standard two-dimensional gel electrophoresis protein separation, blotting to nitrocellulose membranes, and MALDI-MS identification of modified N-terminal tryptic peptides. We show that for each A. laidlawii lipoprotein studied a third fatty acid in an amide linkage on the N-terminal Cys residue is present, whereas diacylated species were not detected. The result thus proves that A. laidlawii encodes a lipoprotein N-acyltransferase activity. We hypothesize that N-acyltransferases encoded by genes non-homologous to N-acyltransferases of Gram-negative bacteria are also present in other mollicutes and Gram-positive bacteria. PMID:21540185

  14. Surface states on a topologically nontrivial semimetal: The case of Sb(110)

    DEFF Research Database (Denmark)

    Bianchi, Marco; Guan, Dandan; Strózecka, Anna

    2012-01-01

    The electronic structure of Sb(110) is studied by angle-resolved photoemission spectroscopy and first-principles calculations, revealing several electronic surface states in the projected bulk band gaps around the Fermi energy. The dispersion of the states can be interpreted in terms of a strong...... spin-orbit splitting. The bulk band structure of Sb has the characteristics of a strong topological insulator with a Z2 invariant ν0 = 1. This puts constraints on the existence of metallic surface states and the expected topology of the surface Fermi contour. However, bulk Sb is a semimetal......, not an insulator, and these constraints are therefore partly relaxed. This relation of bulk topology and expected surface-state dispersion for semimetals is discussed....

  15. Monthly version of HadISST sea surface temperature state-space components

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — State-Space Decomposition of Monthly version of HadISST sea surface temperature component (1-degree). See Rayner, N. A., Parker, D. E., Horton, E. B., Folland, C....

  16. Road surface erosion on the Jackson Demonstration State Forest: results of a pilot study

    Science.gov (United States)

    Brian Barrett; Rosemary Kosaka; David. Tomberlin

    2012-01-01

    This paper presents results of a 3 year pilot study of surface erosion on forest roads in the Jackson Demonstration State Forest in California’s coastal redwood region. Ten road segments representing a range of surface, grade, and ditch conditions were selected for the study. At each segment, settling basins with tipping buckets were installed to measure...

  17. Clean Os(0001) electronic surface states: A first-principle fully relativistic investigation

    Science.gov (United States)

    Urru, Andrea; Dal Corso, Andrea

    2018-05-01

    We analyze the electronic structure of the Os(0001) surface by means of first-principle calculations based on Fully Relativistic (FR) Density Functional Theory (DFT) and a Projector Augmented-Wave (PAW) approach. We investigate surface states and resonances analyzing their spin-orbit induced energy splitting and their spin polarization. The results are compared with previously studied surfaces Ir(111), Pt(111), and Au(111). We do not find any surface state in the gap similar to the L-gap of the (111) fcc surfaces, but find Rashba split resonances that cross the Fermi level and, as in the recently studied Ir(111) surface, have a characteristic downward dispersion. Moreover, for some selected surface states we study the spin polarization with respect to k∥, the wave-vector parallel to the surface. In some cases, such as the Rashba split resonances, the spin polarization shows a smooth behavior with slow rotations, in others the rotation is faster, due to mixing and anti-crossing of the states.

  18. Pressure controlled transition into a self-induced topological superconducting surface state

    KAUST Repository

    Zhu, Zhiyong; Cheng, Yingchun; Schwingenschlö gl, Udo

    2014-01-01

    Ab-initio calculations show a pressure induced trivial-nontrivial-trivial topological phase transition in the normal state of 1T-TiSe2. The pressure range in which the nontrivial phase emerges overlaps with that of the superconducting ground state. Thus, topological superconductivity can be induced in protected surface states by the proximity effect of superconducting bulk states. This kind of self-induced topological surface superconductivity is promising for a realization of Majorana fermions due to the absence of lattice and chemical potential mismatches. For appropriate electron doping, the formation of the topological superconducting surface state in 1T-TiSe 2 becomes accessible to experiments as it can be controlled by pressure.

  19. Pressure controlled transition into a self-induced topological superconducting surface state

    KAUST Repository

    Zhu, Zhiyong

    2014-02-07

    Ab-initio calculations show a pressure induced trivial-nontrivial-trivial topological phase transition in the normal state of 1T-TiSe2. The pressure range in which the nontrivial phase emerges overlaps with that of the superconducting ground state. Thus, topological superconductivity can be induced in protected surface states by the proximity effect of superconducting bulk states. This kind of self-induced topological surface superconductivity is promising for a realization of Majorana fermions due to the absence of lattice and chemical potential mismatches. For appropriate electron doping, the formation of the topological superconducting surface state in 1T-TiSe 2 becomes accessible to experiments as it can be controlled by pressure.

  20. Analysis of surface states in ZnO nanowire field effect transistors

    International Nuclear Information System (INIS)

    Shao, Ye; Yoon, Jongwon; Kim, Hyeongnam; Lee, Takhee; Lu, Wu

    2014-01-01

    Highlights: • The electron transport in ZnO nanowire FETs is space charged limited below a trap temperature. • Metallic contacts to ZnO nanowires exhibit non-linear behavior with a Schottky barrier height of ∼0.35 eV. • The surface state density is in the range of 1.04 × 10 10 –1.24 × 10 10 /cm 2 . • The trap activation energy is ∼0.26 eV. - Abstract: Nanowires (NWs) have attracted considerable interests for scaled electronic and optoelectronic device applications. However, NW based semiconductor devices normally suffer from surface states due to the existence of dangling bonds or surface reconstruction. Because of their large surface-to-volume ratio, surface states in NWs can easily affect the metallic contacts to NWs and electron transport in NW. Here, we present ZnO NW surface analysis by performing current–voltage characterization on ZnO NW Schottky barrier field effect transistors with different metal contacts (Ti, Al, Au) at both room temperature and cryogenic temperature. Our results show that three metal contacts are all Schottky contacts to ZnO NWs due to surface states. Our further study reveals: (a) the surface states related Schottky barrier height (SBH) can be extracted from a back to back Schottky diodes model and the SBH values are in the range of 0.34–0.37 eV for three metal contacts; (b) the trap activation energy determined from the Arrhenius plots of different Schottky metal contacts is in the range of 0.23–0.29 eV, which is oxygen vacancies related; and (c) based on the space-charge-limited model, the surface state density of ZnO NW is in the range of 1.04 × 10 10 –1.24 × 10 10 /cm 2

  1. Tailoring the surface chemical bond states of the NbN films by doping Ag: Achieving hard hydrophobic surface

    Energy Technology Data Exchange (ETDEWEB)

    Ren, Ping; Zhang, Kan; Du, Suxuan [Department of Materials Science, State Key Laboratory of Superhard Materials, and Key Laboratory of Automobile Materials, MOE, Jilin University, Changchun, 130012 (China); Meng, Qingnan [College of Construction Engineering, Jilin University, Changchun, 130026 (China); He, Xin [Department of Materials Science, State Key Laboratory of Superhard Materials, and Key Laboratory of Automobile Materials, MOE, Jilin University, Changchun, 130012 (China); Wang, Shuo [Department of Materials Science and Engineering, College of Engineering, Peking University, Beijing 100871 (China); Wen, Mao, E-mail: wenmao225@jlu.edu.cn [Department of Materials Science, State Key Laboratory of Superhard Materials, and Key Laboratory of Automobile Materials, MOE, Jilin University, Changchun, 130012 (China); Zheng, Weitao, E-mail: WTZheng@jlu.edu.cn [Department of Materials Science, State Key Laboratory of Superhard Materials, and Key Laboratory of Automobile Materials, MOE, Jilin University, Changchun, 130012 (China)

    2017-06-15

    Highlights: • Intrinsically hydrophilic NbN films can transfer to hydrophobic Nb-Ag-N films by doping Ag atoms into NbN sublattice. • Solute Ag can promote that the hydrophobic Ag{sub 2}O groups formed on the Nb-Ag-N film surface through self-oxidation. • The present work may provide a straightforward approach for the production of robust hydrophobic ceramic surfaces. - Abstract: Robust hydrophobic surfaces based on ceramics capable of withstanding harsh conditions such as abrasion, erosion and high temperature, are required in a broad range of applications. The metal cations with coordinative saturation or low electronegativity are commonly chosen to achieve the intrinsically hydrophobic ceramic by reducing Lewis acidity, and thus the ceramic systems are limited. In this work, we present a different picture that robust hydrophobic surface with high hardness (≥20 GPa) can be fabricated through doping Ag atoms into intrinsically hydrophilic ceramic film NbN by reactive co-sputtering. The transition of wettability from hydrophilic to hydrophobic of Nb-Ag-N films induced by Ag doping results from the appearance of Ag{sub 2}O groups on the films surfaces through self-oxidation, because Ag cations (Ag{sup +}) in Ag{sub 2}O are the filled-shell (4d{sup 10}5S{sup 0}) electronic structure with coordinative saturation that have no tendency to interact with water. The results show that surface Ag{sub 2}O benefited for hydrophobicity comes from the solute Ag atoms rather than precipitate metal Ag, in which the more Ag atoms incorporated into Nb-sublattice are able to further improve the hydrophobicity, whereas the precipitation of Ag nanoclusters would worsen it. The present work opens a window for fabricating robust hydrophobic surface through tailoring surface chemical bond states by doping Ag into transition metal nitrides.

  2. Charge-state distribution of MeV He ions scattered from the surface atoms

    International Nuclear Information System (INIS)

    Kimura, Kenji; Ohtsuka, Hisashi; Mannami, Michihiko

    1993-01-01

    The charge-state distribution of 500-keV He ions scattered from a SnTe (001) surface has been investigated using a new technique of high-resolution high-energy ion scattering spectroscopy. The observed charge-state distribution of ions scattered from the topmost atomic layer coincides with that of ions scattered from the subsurface region and does not depend on the incident charge state but depends on the exit angle. The observed exit-angle dependence is explained by a model which includes the charge-exchange process with the valence electrons in the tail of the electron distribution at the surface. (author)

  3. Fermiology and Superconductivity of Topological Surface States in PdTe2

    Science.gov (United States)

    Clark, O. J.; Neat, M. J.; Okawa, K.; Bawden, L.; Marković, I.; Mazzola, F.; Feng, J.; Sunko, V.; Riley, J. M.; Meevasana, W.; Fujii, J.; Vobornik, I.; Kim, T. K.; Hoesch, M.; Sasagawa, T.; Wahl, P.; Bahramy, M. S.; King, P. D. C.

    2018-04-01

    We study the low-energy surface electronic structure of the transition-metal dichalcogenide superconductor PdTe2 by spin- and angle-resolved photoemission, scanning tunneling microscopy, and density-functional theory-based supercell calculations. Comparing PdTe2 with its sister compound PtSe2 , we demonstrate how enhanced interlayer hopping in the Te-based material drives a band inversion within the antibonding p -orbital manifold well above the Fermi level. We show how this mediates spin-polarized topological surface states which form rich multivalley Fermi surfaces with complex spin textures. Scanning tunneling spectroscopy reveals type-II superconductivity at the surface, and moreover shows no evidence for an unconventional component of its superconducting order parameter, despite the presence of topological surface states.

  4. Fermi surface and quantum well states of V(110) films on W(110)

    Energy Technology Data Exchange (ETDEWEB)

    Krupin, Oleg [MS 6-2100, Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Rotenberg, Eli [MS 6-2100, Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Kevan, S D [Department of Physics, University of Oregon, Eugene, OR 97403 (United States)

    2007-09-05

    Using angle-resolved photoemission spectroscopy, we have measured the Fermi surface of V(110) films epitaxially grown on a W(110) substrate. We compare our results for thicker films to existing calculations and measurements for bulk vanadium and find generally very good agreement. For thinner films, we observe and analyse a diverse array of quantum well states that split and distort the Fermi surface segments. We have searched unsuccessfully for a thickness-induced topological transition associated with contact between the zone-centre jungle gym and zone-boundary hole ellipsoid Fermi surface segments. We also find no evidence for ferromagnetic splitting of any bands on this surface.

  5. Fermi surface and quantum well states of V(110) films on W(110)

    International Nuclear Information System (INIS)

    Krupin, Oleg; Rotenberg, Eli; Kevan, S D

    2007-01-01

    Using angle-resolved photoemission spectroscopy, we have measured the Fermi surface of V(110) films epitaxially grown on a W(110) substrate. We compare our results for thicker films to existing calculations and measurements for bulk vanadium and find generally very good agreement. For thinner films, we observe and analyse a diverse array of quantum well states that split and distort the Fermi surface segments. We have searched unsuccessfully for a thickness-induced topological transition associated with contact between the zone-centre jungle gym and zone-boundary hole ellipsoid Fermi surface segments. We also find no evidence for ferromagnetic splitting of any bands on this surface

  6. Possibilities of new materials surface sensibility express determination based on ZnSe-CdS system by pH isoelectric state measurements of the surface state

    Science.gov (United States)

    Kirovskaya, I. A.; Mironova, E. V.; Ushakov, O. V.; Nor, P. E.; Yureva, A. V.; Matyash, Yu I.

    2018-01-01

    A method for determining the hydrogen index of the surfaces isoelectric state (pHiso) at various gases pressures -possible components of the surrounding and technological media has been developed. With its use, changes in pH of binary and more complex semiconductors-components of the new system-ZnSe-CdS under the influence of nitrogen dioxide-have been found. The limiting sensitivity of surfaces - minimum PNO2, causing a change in pH has been estimated. The most active components of ZnSe-CdS system, recommended as materials for measuring cells of NO2, have been revealed. The relationship between the changing patterns with the composition of surface (acid-base) and bulk (in particular, theoretical calculated crystal density) properties has been established, allowing to find the most effective materials for sensor technology and for semiconductor analysis.

  7. Quantum State-Resolved Collision Dynamics of Nitric Oxide at Ionic Liquid and Molten Metal Surfaces

    Science.gov (United States)

    Zutz, Amelia Marie

    Detailed molecular scale interactions at the gas-liquid interface are explored with quantum state-to-state resolved scattering of a jet-cooled beam of NO(2pi1/2; N = 0) from ionic liquid and molten metal surfaces. The scattered distributions are probed via laser-induced fluorescence methods, which yield rotational and spin-orbit state populations that elucidate the dynamics of energy transfer at the gas-liquid interface. These collision dynamics are explored as a function of incident collision energy, surface temperature, scattering angle, and liquid identity, all of which are found to substantially affect the degree of rotational, electronic and vibrational excitation of NO via collisions at the liquid surface. Rotational distributions observed reveal two distinct scattering pathways, (i) molecules that trap, thermalize and eventually desorb from the surface (trapping-desorption, TD), and (ii) those that undergo prompt recoil (impulsive scattering, IS) prior to complete equilibration with the liquid surface. Thermally desorbing NO molecules are found to have rotational temperatures close to, but slightly cooler than the surface temperature, indicative of rotational dependent sticking probabilities on liquid surfaces. Nitric oxide is a radical with multiple low-lying electronic states that serves as an ideal candidate for exploring nonadiabatic state-changing collision dynamics at the gas-liquid interface, which induce significant excitation from ground (2pi1/2) to excited (2pi 3/2) spin-orbit states. Molecular beam scattering of supersonically cooled NO from hot molten metals (Ga and Au, Ts = 300 - 1400 K) is also explored, which provide preliminary evidence for vibrational excitation of NO mediated by thermally populated electron-hole pairs in the hot, conducting liquid metals. The results highlight the presence of electronically nonadiabatic effects and build toward a more complete characterization of energy transfer dynamics at gas-liquid interfaces.

  8. Influence of metallic surface states on electron affinity of epitaxial AlN films

    Energy Technology Data Exchange (ETDEWEB)

    Mishra, Monu; Krishna, Shibin; Aggarwal, Neha [Advanced Materials and Devices Division, CSIR-National Physical Laboratory, Dr. K.S. Krishnan Marg, New Delhi110012 (India); Academy of Scientific and Innovative Research (AcSIR), CSIR-NPL Campus, Dr. K.S. Krishnan Marg, New Delhi 110012 (India); Gupta, Govind, E-mail: govind@nplindia.org [Advanced Materials and Devices Division, CSIR-National Physical Laboratory, Dr. K.S. Krishnan Marg, New Delhi110012 (India); Academy of Scientific and Innovative Research (AcSIR), CSIR-NPL Campus, Dr. K.S. Krishnan Marg, New Delhi 110012 (India)

    2017-06-15

    The present article investigates surface metallic states induced alteration in the electron affinity of epitaxial AlN films. AlN films grown by plasma-assisted molecular beam epitaxy system with (30% and 16%) and without metallic aluminium on the surface were probed via photoemission spectroscopic measurements. An in-depth analysis exploring the influence of metallic aluminium and native oxide on the electronic structure of the films is performed. It was observed that the metallic states pinned the Fermi Level (FL) near valence band edge and lead to the reduction of electron affinity (EA). These metallic states initiated charge transfer and induced changes in surface and interface dipoles strength. Therefore, the EA of the films varied between 0.6–1.0 eV due to the variation in contribution of metallic states and native oxide. However, the surface barrier height (SBH) increased (4.2–3.5 eV) adversely due to the availability of donor-like surface states in metallic aluminium rich films.

  9. Protective capping of topological surface states of intrinsically insulating Bi2Te3

    Directory of Open Access Journals (Sweden)

    Katharina Hoefer

    2015-09-01

    Full Text Available We have identified epitaxially grown elemental Te as a capping material that is suited to protect the topological surface states of intrinsically insulating Bi2Te3. By using angle-resolved photoemission, we were able to show that the Te overlayer leaves the dispersive bands of the surface states intact and that it does not alter the chemical potential of the Bi2Te3 thin film. From in-situ four-point contact measurements, we observed that the conductivity of the capped film is still mainly determined by the metallic surface states and that the contribution of the capping layer is minor. Moreover, the Te overlayer can be annealed away in vacuum to produce a clean Bi2Te3 surface in its pristine state even after the exposure of the capped film to air. Our findings will facilitate well-defined and reliable ex-situ experiments on the properties of Bi2Te3 surface states with nontrivial topology.

  10. InN/GaN quantum dot superlattices: Charge-carrier states and surface electronic structure

    Science.gov (United States)

    Kanouni, F.; Brezini, A.; Djenane, M.; Zou, Q.

    2018-03-01

    We have theoretically investigated the electron energy spectra and surface states energy in the three dimensionally ordered quantum dot superlattices (QDSLs) made of InN and GaN semiconductors. The QDSL is assumed in this model to be a matrix of GaN containing cubic dots of InN of the same size and uniformly distributed. For the miniband’s structure calculation, the resolution of the effective mass Schrödinger equation is done by decoupling it in the three directions within the framework of Kronig-Penney model. We found that the electrons minibands in infinite ODSLs are clearly different from those in the conventional quantum-well superlattices. The electrons localization and charge-carrier states are very dependent on the quasicrystallographic directions, the size and the shape of the dots which play a role of the artificial atoms in such QD supracrystal. The energy spectrum of the electron states localized at the surface of InN/GaN QDSL is represented by Kronig-Penney like-model, calculated via direct matching procedure. The calculation results show that the substrate breaks symmetrical shape of QDSL on which some localized electronic surface states can be produced in minigap regions. Furthermore, we have noticed that the surface states degeneracy is achieved in like very thin bands located in the minigaps, identified by different quantum numbers nx, ny, nz. Moreover, the surface energy bands split due to the reduction of the symmetry of the QDSL in z-direction.

  11. Image-potential states on the metallic (111) surface of bismuth

    International Nuclear Information System (INIS)

    Muntwiler, Matthias; Zhu, X-Y

    2008-01-01

    An extended series (up to n=6, in quantum beats) of image-potential states (IPS) is observed in time-resolved two-photon photoelectron (TR-2PPE) spectroscopy of the Bi(111) surface. Although mainly located in the vacuum, these states probe various properties of the electronic structure of the surface as reflected in their energetics and dynamics. Based on the observation of IPS a projected gap in the surface normal direction is inferred in the region from 3.57 to 4.27 eV above the Fermi level. Despite this band gap, the lifetimes of the IPS are shorter than on comparable metals, which is an indication of the metallic character of the Bi(111) surface.

  12. Topology of the Adiabatic Potential Energy Surfaces for theResonance States of the Water Anion

    Energy Technology Data Exchange (ETDEWEB)

    Haxton, Daniel J.; Rescigno, Thomas N.; McCurdy, C. William

    2005-04-15

    The potential energy surfaces corresponding to the long-lived fixed-nuclei electron scattering resonances of H{sub 2}O relevant to the dissociative electron attachment process are examined using a combination of ab initio scattering and bound-state calculations. These surfaces have a rich topology, characterized by three main features: a conical intersection between the {sup 2}A{sub 1} and {sup 2}B{sub 2} Feshbach resonance states; charge-transfer behavior in the OH ({sup 2}{Pi}) + H{sup -} asymptote of the {sup 2}B{sub 1} and {sup 2}A{sub 1} resonances; and an inherent double-valuedness of the surface for the {sup 2}B{sub 2} state the C{sub 2v} geometry, arising from a branch-point degeneracy with a {sup 2}B{sub 2} shape resonance. In total, eight individual seams of degeneracy among these resonances are located.

  13. Microfour-point probe for studying electronic transport through surface states

    DEFF Research Database (Denmark)

    Petersen, Christian Leth; Grey, Francois; Shiraki, I.

    2000-01-01

    Microfour-point probes integrated on silicon chips have been fabricated with probe spacings in the range 4-60 mum. They provide a simple robust device for electrical transport measurements at surfaces, bridging the gap between conventional macroscopic four-point probes and scanning tunneling...... transport through surface states, which is not observed on the macroscopic scale, presumably due to scattering at atomic steps. (C) 2000 American Institute of Physics....

  14. Probing spin helical surface states in topological HgTe nanowires

    Science.gov (United States)

    Ziegler, J.; Kozlovsky, R.; Gorini, C.; Liu, M.-H.; Weishäupl, S.; Maier, H.; Fischer, R.; Kozlov, D. A.; Kvon, Z. D.; Mikhailov, N.; Dvoretsky, S. A.; Richter, K.; Weiss, D.

    2018-01-01

    Nanowires with helical surface states represent key prerequisites for observing and exploiting phase-coherent topological conductance phenomena, such as spin-momentum locked quantum transport or topological superconductivity. We demonstrate in a joint experimental and theoretical study that gated nanowires fabricated from high-mobility strained HgTe, known as a bulk topological insulator, indeed preserve the topological nature of the surface states, that moreover extend phase-coherently across the entire wire geometry. The phase-coherence lengths are enhanced up to 5 μ m when tuning the wires into the bulk gap, so as to single out topological transport. The nanowires exhibit distinct conductance oscillations, both as a function of the flux due to an axial magnetic field and of a gate voltage. The observed h /e -periodic Aharonov-Bohm-type modulations indicate surface-mediated quasiballistic transport. Furthermore, an in-depth analysis of the scaling of the observed gate-dependent conductance oscillations reveals the topological nature of these surface states. To this end we combined numerical tight-binding calculations of the quantum magnetoconductance with simulations of the electrostatics, accounting for the gate-induced inhomogeneous charge carrier densities around the wires. We find that helical transport prevails even for strongly inhomogeneous gating and is governed by flux-sensitive high-angular momentum surface states that extend around the entire wire circumference.

  15. Real-space Mapping of Surface Trap States in CIGSe Nanocrystals using 4D Electron Microscopy

    KAUST Repository

    Bose, Riya

    2016-05-26

    Surface trap states in semiconductor copper indium gallium selenide nanocrystals (NCs) which serve as undesirable channels for non-radiative carrier recombination, remain a great challenge impeding the development of solar and optoelectronics devices based on these NCs. In order to design efficient passivation techniques to minimize these trap states, a precise knowledge about the charge carrier dynamics on the NCs surface is essential. However, selective mapping of surface traps requires capabilities beyond the reach of conventional laser spectroscopy and static electron microscopy; it can only be accessed by using a one-of-a-kind, second-generation four-dimensional scanning ultrafast electron microscope (4D S-UEM) with sub-picosecond temporal and nanometer spatial resolutions. Here, we precisely map the surface charge carrier dynamics of copper indium gallium selenide NCs before and after surface passivation in real space and time using S-UEM. The time-resolved snapshots clearly demonstrate that the density of the trap states is significantly reduced after zinc sulfide (ZnS) shelling. Furthermore, removal of trap states and elongation of carrier lifetime are confirmed by the increased photocurrent of the self-biased photodetector fabricated using the shelled NCs.

  16. Real-space Mapping of Surface Trap States in CIGSe Nanocrystals using 4D Electron Microscopy

    KAUST Repository

    Bose, Riya; Bera, Ashok; Parida, Manas R.; Adhikari, Aniruddha; Shaheen, Basamat; Alarousu, Erkki; Sun, Jingya; Wu, Tao; Bakr, Osman; Mohammed, Omar F.

    2016-01-01

    Surface trap states in semiconductor copper indium gallium selenide nanocrystals (NCs) which serve as undesirable channels for non-radiative carrier recombination, remain a great challenge impeding the development of solar and optoelectronics devices based on these NCs. In order to design efficient passivation techniques to minimize these trap states, a precise knowledge about the charge carrier dynamics on the NCs surface is essential. However, selective mapping of surface traps requires capabilities beyond the reach of conventional laser spectroscopy and static electron microscopy; it can only be accessed by using a one-of-a-kind, second-generation four-dimensional scanning ultrafast electron microscope (4D S-UEM) with sub-picosecond temporal and nanometer spatial resolutions. Here, we precisely map the surface charge carrier dynamics of copper indium gallium selenide NCs before and after surface passivation in real space and time using S-UEM. The time-resolved snapshots clearly demonstrate that the density of the trap states is significantly reduced after zinc sulfide (ZnS) shelling. Furthermore, removal of trap states and elongation of carrier lifetime are confirmed by the increased photocurrent of the self-biased photodetector fabricated using the shelled NCs.

  17. Scanning tunneling microscopy study of the possible topological surface states in BiTeCl

    International Nuclear Information System (INIS)

    Yan, Y J; Ren, M Q; Liu, X; Huang, Z C; Jiang, J; Fan, Q; Miao, J; Xie, B P; Zhang, T; Feng, D L; Xiang, F; Wang, X

    2015-01-01

    Recently, the non-centrosymmetric bismuth tellurohalides such as BiTeCl are being studied as possible candidates for topological insulators. While some photoemission studies showed that BiTeCl is an inversion asymmetric topological insulator, others showed that it is a normal semiconductor with Rashba splitting. Meanwhile, first-principle calculations have failed to confirm the existence of topological surface states in BiTeCl so far. Therefore, the topological nature of BiTeCl requires further investigation. Here we report a low-temperature scanning tunneling microscopy study on the surface states of BiTeCl single crystals. On the tellurium (Te) -terminated surfaces with relatively low defect density, evidence for topological surface states is observed in the quasi-particle interference patterns, both in the anisotropy of the scattering vectors and the fast decay of the interference near the step edges. Meanwhile, on the samples with much higher defect densities, we observed surface states that behave differently. Our results may help to resolve the current controversy on the topological nature of BiTeCl. (paper)

  18. The effect of cerium valence states at cerium oxide nanoparticle surfaces on cell proliferation

    KAUST Repository

    Naganuma, Tamaki

    2014-05-01

    Understanding and controlling cell proliferation on biomaterial surfaces is critical for scaffold/artificial-niche design in tissue engineering. The mechanism by which underlying integrin ligates with functionalized biomaterials to induce cell proliferation is still not completely understood. In this study, poly-l-lactide (PL) scaffold surfaces were functionalized using layers of cerium oxide nanoparticles (CNPs), which have recently attracted attention for use in therapeutic application due to their catalytic ability of Ce4+ and Ce3+ sites. To isolate the influence of Ce valance states of CNPs on cell proliferation, human mesenchymal stem cells (hMSCs) and osteoblast-like cells (MG63) were cultured on the PL/CNP surfaces with dominant Ce4+ and Ce3+ regions. Despite cell type (hMSCs and MG63 cells), different surface features of Ce4+ and Ce3+ regions clearly promoted and inhibited cell spreading, migration and adhesion behavior, resulting in rapid and slow cell proliferation, respectively. Cell proliferation results of various modified CNPs with different surface charge and hydrophobicity/hydrophilicity, indicate that Ce valence states closely correlated with the specific cell morphologies and cell-material interactions that trigger cell proliferation. This finding suggests that the cell-material interactions, which influence cell proliferation, may be controlled by introduction of metal elements with different valence states onto the biomaterial surface. © 2014 Elsevier Ltd.

  19. A new corresponding state-based correlation for the surface tension of organic fatty acids

    Science.gov (United States)

    Zhang, Cuihua; Tian, Jianxiang; Zheng, Mengmeng; Yi, Huili; Zhang, Laibin; Liu, Shuzhen

    2018-01-01

    In this paper, we proposed a new corresponding state-based correlation for organic fatty (aliphatic, carboxylic and polyfunctional) acids. By using the recently published surface tension data of the 99 acids [A. Mulero and I. Cachadiña, J. Phys. Chem. Ref. Data 45 (2016) 033105] and comparing with the recently published other corresponding state correlations, we found that this correlation reproduces the lowest absolute average deviation (AAD) values for 82 acids out of the 99 acids. It can reproduce the surface tension data with AAD less than 10% for 89 out of the 99 acids.

  20. Energy of surface states for 3D magnetic Schrödinger operators

    DEFF Research Database (Denmark)

    Nasrallah, Marwa

    In this dissertation, we study the Schrödinger operator with magnetic field in a three dimensional domain with compact smooth boundary. Functions in the domain of the operator satisfy (magnetic) Neumann condition on the boundary. The operator depends on the semi-classical parameter....... As this parameter becomes small, certain eigenfunctions of the operator are localized near the boundary of the domain, hence they will be called surface states. The main result of this dissertation is the calculation of the leading order terms of the energy and the number of surface states when the semi-classical...

  1. The influence of the surface parameter changes onto the phonon states in ultrathin crystalline films

    Science.gov (United States)

    Šetrajčić, Jovan P.; Ilić, Dušan I.; Jaćimovski, Stevo K.

    2018-04-01

    In this paper, we have analytically investigated how the changes in boundary surface parameters influence the phonon dispersion law in ultrathin films of the simple cubic crystalline structure. Spectra of possible phonon states are analyzed using the method of two-time dependent Green's functions and for the diverse combination of boundary surface parameters, this problem was presented numerically and graphically. It turns out that for certain values and combinations of parameters, displacement of dispersion branches outside of bulk zone occurs, leading to the creation of localized phonon states. This fact is of great importance for the heat removal, electrical conductivity and superconducting properties of ultrathin films.

  2. Formation of metastable tetragonal zirconia nanoparticles: Competitive influence of the dopants and surface state

    Energy Technology Data Exchange (ETDEWEB)

    Gorban, Oksana, E-mail: matscidep@aim.com [Donetsk Institute for Physics and Engineering named after A.A. Galkin of the NAS of Ukraine, Nauki av. 46, Kyiv 03680 (Ukraine); Synyakina, Susanna; Volkova, Galina; Gorban, Sergey; Konstantiova, Tetyana [Donetsk Institute for Physics and Engineering named after A.A. Galkin of the NAS of Ukraine, Nauki av. 46, Kyiv 03680 (Ukraine); Lyubchik, Svetlana, E-mail: s_lyubchik@yahoo.com [REQUIMTE, Universida de Nova de Lisboa, 2829-516 Caparica (Portugal)

    2015-12-15

    The effect of the surface modification of the nanoparticles of amorphous and crystalline partially stabilized zirconia by fluoride ions on stability of the metastable tetragonal phase was investigated. Based on the DSC, titrimetry and FTIR spectroscopy data it was proven that surface modification of the xerogel resulted from an exchange of the fluoride ions with the basic OH groups. The effect of the powder pre-calcination temperature before modification on the formation of metastable tetragonal phase in partially stabilized zirconia was investigated. It was shown that the main factor of tetragonal zirconia stabilization is the state of nanoparticles surface at pre-crystallization temperatures.

  3. A short-term study of the state of surface water acidification at Semenyih dam

    International Nuclear Information System (INIS)

    Kantasamy, Nesamalar; Sumari, S.M.; Salam, S.M.; Riniswani Aziz

    2007-01-01

    A short-term study was done to analyze the state of acidification of surface water at Semenyih Dam. This study is part of a continuous monitoring programme for Malaysia as a participatory country of EANET (Acid Monitoring Network in East Asia). Surface water samples were taken at selected points of the dam from February to December 2005. Temperature, electrical conductivity, pH, alkalinity, acid neutralizing capacity (ANC) as well as concentration of specific ionic species were measured, determined and analysed in this study. Present available sort-term study data indicates Semenyih Dam surface water is currently not undergoing acidification. (author)

  4. Self-Assembled Si(111) Surface States: 2D Dirac Material for THz Plasmonics

    Science.gov (United States)

    Wang, Z. F.; Liu, Feng

    2015-07-01

    Graphene, the first discovered 2D Dirac material, has had a profound impact on science and technology. In the last decade, we have witnessed huge advances in graphene related fundamental and applied research. Here, based on first-principles calculations, we propose a new 2D Dirac band on the Si(111) surface with 1 /3 monolayer halogen coverage. The s p3 dangling bonds form a honeycomb superstructure on the Si(111) surface that results in an anisotropic Dirac band with a group velocity (˜106 m /s ) comparable to that in graphene. Most remarkably, the Si-based surface Dirac band can be used to excite a tunable THz plasmon through electron-hole doping. Our results demonstrate a new way to design Dirac states on a traditional semiconductor surface, so as to make them directly compatible with Si technology. We envision this new type of Dirac material to be generalized to other semiconductor surfaces with broad applications.

  5. State-to-state quantum dynamics of the F + HCl (vi = 0, ji = 0) → HF(vf, jf) + Cl reaction on the ground state potential energy surface.

    Science.gov (United States)

    Li, Anyang; Guo, Hua; Sun, Zhigang; Kłos, Jacek; Alexander, Millard H

    2013-10-07

    The state-to-state reaction dynamics of the title reaction is investigated on the ground electronic state potential energy surface using two quantum dynamical methods. The results obtained using the Chebyshev real wave packet method are in excellent agreement with those obtained using the time-independent method, except at low translational energies. It is shown that this exothermic hydrogen abstraction reaction is direct, resulting in a strong back-scattered bias in the product angular distribution. The HF product is highly excited internally. Agreement with available experimental data is only qualitative. We discuss several possible causes of disagreement with experiment.

  6. Quantum confinement and heavy surface states of Dirac fermions in bismuth (111) films: An analytical approach

    Science.gov (United States)

    Enaldiev, V. V.; Volkov, V. A.

    2018-03-01

    Recent high-resolution angle-resolved photoemission spectroscopy experiments have given a reason to believe that pure bismuth is a topologically nontrivial semimetal. We derive an analytic theory of surface and size-quantized states of Dirac fermions in Bi(111) films taking into account the new data. The theory relies on a new phenomenological momentum-dependent boundary condition for the effective Dirac equation. The boundary condition is described by two real parameters that are expressed by a linear combination of the Dresselhaus and Rashba interface spin-orbit interaction parameters. In semi-infinite Bi(111), near the M ¯ point the surface states possess anisotropical parabolic dispersion with very heavy effective mass in the Γ ¯-M ¯ direction order of ten free electron masses and light effective mass in the M ¯-K ¯ direction order of one hundredth of free electron mass. In Bi(111) films with equivalent surfaces, the surface states from top and bottom surfaces are not split. In such a symmetric film with arbitrary thickness, the bottom of the lowest quantum confinement subband in the conduction band coincides with the bottom of the bulk conduction band in the M ¯ point.

  7. Relaxation of excited surface states of thin Ge-implanted silica films probed by OSEE spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Zatsepin, A.F., E-mail: a.f.zatsepin@urfu.ru [Ural Federal University, Mira Street 19, 620002 Ekaterinburg (Russian Federation); Buntov, E.A.; Mikhailovich, A.P.; Slesarev, A.I. [Ural Federal University, Mira Street 19, 620002 Ekaterinburg (Russian Federation); Schmidt, B. [Research Center Dresden-Rossendorf, Institute of Ion Beam Physics and Materials Research, P.O. Box 510119, D-01314 Dresden (Germany); Czarnowski, A. von; Fitting, Hans-Joachim [Institute of Physics, University of Rostock, Universitätsplatz 3, D-18051 Rostock (Germany)

    2016-01-15

    As an example of thin silica films, 30 nm SiO{sub 2}–Si heterostructures implanted with Ge{sup +} ions (10{sup 16} cm{sup −2} fluence) and rapid thermally annealed (RTA) at 950 °C are studied by means of optically stimulated electron emission (OSEE) in the spectral region of optical transparency for bulk silica. Quartz glass samples were used as references. Experimental data revealed a strong dependence between electron emission spectral features and RTA annealing time. The spectral contributions of both surface band tail states and interband transitions were clearly distinguished. The application of emission Urbach rule as well as Kane and Pässler equations allowed to analyze the OSEE spectra at different optical excitation energy ranges and to retrieve the important microstructural and energy parameters. The observed correlations between parameter values of Urbach- and Kane-related models suggest the implantation-induced conversion of both the vibrational subsystem and energy band of surface and interface electronic states. - Highlights: • Peculiarities of electron emission from excited surface states of SiO{sub 2}:Ge structures are studied. • Spectral contributions of surface band tails and interband transitions are distinguished. • Urbach and Kane models allow to examine photo-thermal emission mechanism. • Surface energy gap and structural disorder parameters are determined.

  8. Quantum state-resolved gas/surface reaction dynamics probed by reflection absorption infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Chen Li [Department of Dynamics at Surfaces, Max Planck Institute for Biophysical Chemistry, Am Fassberg 11, Goettingen (Germany); Ueta, Hirokazu; Beck, Rainer D. [Laboratoire de Chimie Physique Moleculaire, Ecole Polytechnique Federale de Lausanne (Switzerland); Bisson, Regis [Aix-Marseille Universite, PIIM, CNRS, UMR 7345, 13397 Marseille (France)

    2013-05-15

    We report the design and characterization of a new molecular-beam/surface-science apparatus for quantum state-resolved studies of gas/surface reaction dynamics combining optical state-specific reactant preparation in a molecular beam by rapid adiabatic passage with detection of surface-bound reaction products by reflection absorption infrared spectroscopy (RAIRS). RAIRS is a non-invasive infrared spectroscopic detection technique that enables online monitoring of the buildup of reaction products on the target surface during reactant deposition by a molecular beam. The product uptake rate obtained by calibrated RAIRS detection yields the coverage dependent state-resolved reaction probability S({theta}). Furthermore, the infrared absorption spectra of the adsorbed products obtained by the RAIRS technique provide structural information, which help to identify nascent reaction products, investigate reaction pathways, and determine branching ratios for different pathways of a chemisorption reaction. Measurements of the dissociative chemisorption of methane on Pt(111) with this new apparatus are presented to illustrate the utility of RAIRS detection for highly detailed studies of chemical reactions at the gas/surface interface.

  9. Scanning tunneling spectroscopy of the surface states of Dirac fermions in thermoelectrics based on bismuth telluride

    Science.gov (United States)

    Lukyanova, L. N.; Makarenko, I. V.; Usov, O. A.; Dementev, P. A.

    2018-05-01

    The morphology of the interlayer van der Waals surface and differential tunneling conductance in p-Bi2‑xSbxTe3‑ySey solid solutions were studied by scanning tunneling microscopy and spectroscopy in dependence on compositions. The topological characteristics of the Dirac fermion surface states were determined. It was shown that the thermoelectric power factor and the material parameter enhance with the shift of the Dirac point to the top of the valence band with the increasing of atomic substitution in these thermoelectrics. A correlation between topological characteristics, power factor and material parameters was found. A growth contribution of the surface states is determined by an increase of the Fermi velocity for large atomic substitutions of Bi at x > 1.5 and small substitutions in the Te sublattice (y = 0.06). In compositions with smaller substitutions at x = (1–1.3) and y = (0.06–0.09), similar effect of the surface states is determined by raising the surface concentration of charge carriers.

  10. On the bound states of Schrodinger operators with -interactions on conical surfaces

    Czech Academy of Sciences Publication Activity Database

    Lotoreichik, Vladimir; Ourmieres-Bonafos, T.

    2016-01-01

    Roč. 41, č. 6 (2016), s. 999-1028 ISSN 0360-5302 Institutional support: RVO:61389005 Keywords : conical and hyperconical surfaces * delta-interaction * existence of bound states * Schrodinger operator * spectral asymptotics Subject RIV: BE - Theoretical Physics Impact factor: 1.608, year: 2016

  11. Comparison of cropland and forest surface temperatures across the conterminous United States

    Science.gov (United States)

    Global climate models (GCM) investigating the effects of land cover on climate have found that replacing extra-tropical forest with cropland promotes cooling. We compared cropland and forest surface temperatures across the continental United States in 16 cells that were approxim...

  12. On the effect of image states on resonant neutralization of hydrogen anions near metal surfaces

    International Nuclear Information System (INIS)

    Chakraborty, Himadri S.; Niederhausen, Thomas; Thumm, Uwe

    2005-01-01

    We directly assess the role of image state electronic structures on the ion-survival by comparing the resonant charge transfer dynamics of hydrogen anions near Pd(1 1 1), Pd(1 0 0), and Ag(1 1 1) surfaces. Our simulations show that image states that are degenerate with the metal conduction band favor the recapture of electrons by outgoing ions. In sharp contrast, localized image states that occur inside the band gap hinder the recapture process and thus enhance the ion-neutralization probability

  13. A parametric finite element method for solid-state dewetting problems with anisotropic surface energies

    Science.gov (United States)

    Bao, Weizhu; Jiang, Wei; Wang, Yan; Zhao, Quan

    2017-02-01

    We propose an efficient and accurate parametric finite element method (PFEM) for solving sharp-interface continuum models for solid-state dewetting of thin films with anisotropic surface energies. The governing equations of the sharp-interface models belong to a new type of high-order (4th- or 6th-order) geometric evolution partial differential equations about open curve/surface interface tracking problems which include anisotropic surface diffusion flow and contact line migration. Compared to the traditional methods (e.g., marker-particle methods), the proposed PFEM not only has very good accuracy, but also poses very mild restrictions on the numerical stability, and thus it has significant advantages for solving this type of open curve evolution problems with applications in the simulation of solid-state dewetting. Extensive numerical results are reported to demonstrate the accuracy and high efficiency of the proposed PFEM.

  14. Photoreflectance and Raman Study of Surface Electric States on AlGaAs/GaAs Heterostructures

    Directory of Open Access Journals (Sweden)

    Luis Zamora-Peredo

    2016-01-01

    Full Text Available Photoreflectance (PR and Raman are two very useful spectroscopy techniques that usually are used to know the surface electronic states in GaAs-based semiconductor devices. However, although they are exceptional tools there are few reports where both techniques were used in these kinds of devices. In this work, the surface electronic states on AlGaAs/GaAs heterostructures were studied in order to identify the effect of factors like laser penetration depth, cap layer thickness, and surface passivation over PR and Raman spectra. PR measurements were performed alternately with two lasers (532 nm and 375 nm wavelength as the modulation sources in order to identify internal and surface features. The surface electric field calculated by PR analysis decreased whereas the GaAs cap layer thickness increased, in good agreement with a similar behavior observed in Raman measurements (IL-/ILO ratio. When the heterostructures were treated by Si-flux, these techniques showed contrary behaviors. PR analysis revealed a diminution in the surface electric field due to a passivation process whereas the IL-/ILO ratio did not present the same behavior because it was dominated by the depletion layers width (cap layer thickness and the laser penetration depth.

  15. Effect of surface stress state on dissolution property of Alloy 690 in simulated primary water condition

    International Nuclear Information System (INIS)

    Kim, Kyung Mo; Shim, Hee-Sang; Lee, Eun Hee; Seo, Myung Ji; Han, Jung Ho; Hur, Do Haeng

    2014-01-01

    The dissolution control of nickel is important to reduce the radioactive dose rate and deterioration of fuel performance in the operation of nuclear power plants (PWR). The corrosion properties are affected by the metal surface residual stress introduced in manufacture process such as work hardening. This work studied the effect of surface modification on the release rate of Alloy 690, nickel-base alloy for a steam generator tube, in the test condition of simulated primary water chemistry in PWRs. The surface stress modification was applied by the electro-polishing and shot peening method. Shot peening process was applied using ceramic beads with different intensities through the variation of air pressure. The corrosion release tests performed at 330degC with LiOH 2 ppm and H 3 BO 4 1200 ppm, DH(dissolved hydrogen) 35 cc/kg (STP) and about 20 ppb of DO(dissolved oxygen) condition. The corrosion release rate was evaluated by a gravimetric analysis method and the surface analysed by SEM and optical microscope. The surface residual stress was measured by an X-ray diffractometer, and the distribution of stress state was evaluated by a micro-hardness tester. The metal ion release rate of alloy 690 was evaluated from the influence of the stress state on the metal surface. The oxide property and structure was affected by the residual stress in the oxide layer. (author)

  16. Nature of the surface states at the single-layer graphene/Cu(111) and graphene/polycrystalline-Cu interfaces

    NARCIS (Netherlands)

    Pagliara, S.; Tognolini, S.; Bignardi, L.; Galimberti, G.; Achilli, S.; Trioni, M. I.; van Dorp, W. F.; Ocelik, V.; Rudolf, P.; Parmigiani, F.

    2015-01-01

    Single-layer graphene supported on a metal surface has shown remarkable properties relevant for novel electronic and optoelectronic devices. However, the nature of the electronic states derived from unoccupied surface states and quantum well states, lying in the real-space gap between the graphene

  17. Cassie state robustness of plasma generated randomly nano-rough surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Di Mundo, Rosa, E-mail: rosa.dimundo@poliba.it; Bottiglione, Francesco; Carbone, Giuseppe

    2014-10-15

    Graphical abstract: - Highlights: • Superhydrophobic randomly rough surfaces are generated by plasma etching. • Statistical analysis of roughness allows calculation of theWenzel roughness factor, r{sub W.} • A r{sub W} threshold is theoretically determined, above which superhydrophobicity is “robust”. • Dynamic wetting, e.g. with high speed impacting drops, confirms this prediction. - Abstract: Superhydrophobic surfaces are effective in practical applications provided they are “robust superhydrophobic”, i.e. able to retain the Cassie state, i.e. with water suspended onto the surface protrusions, even under severe conditions (high pressure, vibrations, high speed impact, etc.). We show that for randomly rough surfaces, given the Young angle, Cassie states are robust when a threshold value of the Wenzel roughness factor, r{sub W}, is exceeded. In particular, superhydrophobic nano-textured surfaces have been generated by self-masked plasma etching. In view of their random roughness, topography features, acquired by Atomic Force Microscopy, have been statistically analyzed in order to gain information on statistical parameters such as power spectral density, fractal dimension and Wenzel roughness factor (r{sub W}), which has been used to assess Cassie state robustness. Results indicate that randomly rough surfaces produced by plasma at high power or long treatment duration, which are also fractal self-affine, have a r{sub W} higher than the theoretical threshold, thus for them a robust superhydrophobicity is predicted. In agreement with this, under dynamic wetting conditionson these surfaces the most pronounced superhydrophobic character has been appreciated: they show the lowest contact angle hysteresis and result in the sharpest bouncing when hit by drops at high impact velocity.

  18. Electrical measurement of the hydration state of the skin surface in vivo.

    Science.gov (United States)

    Tagami, H

    2014-09-01

    Healthy skin surface is smooth and soft, because it is covered by the properly hydrated stratum corneum (SC), an extremely thin and soft barrier membrane produced by the underlying normal epidermis. By contrast, the skin surfaces covering pathological lesions exhibit dry and scaly changes and the SC shows poor barrier function. The SC barrier function has been assessed in vivo by instrumentally measuring transepidermal water loss (TEWL). However, there was a lack of any appropriate method for evaluating the hydration state of the skin surface in vivo until 1980 when we reported the feasibility of employing high-frequency conductance or capacitance to evaluate it quickly and accurately. With such measurements, we can assess easily the moisturizing efficacy of various topical agents in vivo as well as the distribution pattern of water in the SC by combining it with a serial tape-stripping procedure of the skin surface. © 2014 The Author BJD © 2014 British Association of Dermatologists.

  19. Quantum magnetotransport for the surface states of three-dimensional topological insulators in the presence of a Zeeman field

    KAUST Repository

    Tahir, Muhammad; Schwingenschlö gl, Udo

    2013-01-01

    We show that the surface states of magnetic topological insulators realize an activated behavior and Shubnikov de Haas oscillations. Applying an external magnetic field perpendicular to the surface of the topological insulator in the presence

  20. Surface chemical state of Ti powders and its alloys: Effect of storage conditions and alloy composition

    Energy Technology Data Exchange (ETDEWEB)

    Hryha, Eduard, E-mail: hryha@chalmers.se [Department of Materials and Manufacturing Technology, Chalmers University of Technology, Rännvägen 2A, SE - 412 96 Gothenburg (Sweden); Shvab, Ruslan [Department of Materials and Manufacturing Technology, Chalmers University of Technology, Rännvägen 2A, SE - 412 96 Gothenburg (Sweden); Bram, Martin; Bitzer, Martin [Forschungszentrum Jülich GmbH, Institute of Energy and Climate Research, Materials Synthesis and Processing (IEK-1), D-52425 Jülich (Germany); Nyborg, Lars [Department of Materials and Manufacturing Technology, Chalmers University of Technology, Rännvägen 2A, SE - 412 96 Gothenburg (Sweden)

    2016-12-01

    Highlights: • Powder particles of Ti, NiTi and Ti6Al4V are covered by homogeneous Ti-oxide layer. • Thickness of the Ti-oxide layer is in the range of 2.9 to 4.2 nm in as-atomized state. • Exposure to the air results in immediate oxide thickness increase of up to 30%. • Oxide thickness increase of only 15% during storage for 8 years. • High passivation of the Ti, NiTi and Ti6Al4V powder surface by Ti-oxide layer. - Abstract: High affinity of titanium to oxygen in combination with the high surface area of the powder results in tremendous powder reactivity and almost inevitable presence of passivation oxide film on the powder surface. Oxide film is formed during the short exposure of the powder to the environment at even a trace amount of oxygen. Hence, surface state of the powder determines its usefulness for powder metallurgy processing. Present study is focused on the evaluation of the surface oxide state of the Ti, NiTi and Ti6Al4V powders in as-atomized state and after storage under air or Ar for up to eight years. Powder surface oxide state was studied by X-ray photoelectron spectroscopy (XPS) and high resolution scanning electron microscopy (HR SEM). Results indicate that powder in as-atomized state is covered by homogeneous Ti-oxide layer with the thickness of ∼2.9 nm for Ti, ∼3.2 nm and ∼4.2 nm in case of Ti6Al4V and NiTi powders, respectively. Exposure to the air results in oxide growth of about 30% in case of Ti and only about 10% in case of NiTi and Ti6Al4V. After the storage under the dry air for two years oxide growth of only about 3-4% was detected in case of both, Ti and NiTi powders. NiTi powder, stored under the dry air for eight years, indicates oxide thickness of about 5.3 nm, which is about 30% thicker in comparison with the as-atomized powder. Oxide thickness increase of only ∼15% during the storage for eight years in comparison with the powder, shortly exposed to the air after manufacturing, was detected. Results indicate a

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

    International Nuclear Information System (INIS)

    Hanrahan, Michael P.; Fought, Ellie L.; Windus, Theresa L.; Wheeler, Lance M.; Anderson, Nicholas C.

    2017-01-01

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

  2. Surface Irregularity Factor as a Parameter to Evaluate the Fatigue Damage State of CFRP

    Science.gov (United States)

    Zuluaga-Ramírez, Pablo; Frövel, Malte; Belenguer, Tomás; Salazar, Félix

    2015-01-01

    This work presents an optical non-contact technique to evaluate the fatigue damage state of CFRP structures measuring the irregularity factor of the surface. This factor includes information about surface topology and can be measured easily on field, by techniques such as optical perfilometers. The surface irregularity factor has been correlated with stiffness degradation, which is a well-accepted parameter for the evaluation of the fatigue damage state of composite materials. Constant amplitude fatigue loads (CAL) and realistic variable amplitude loads (VAL), representative of real in- flight conditions, have been applied to “dog bone” shaped tensile specimens. It has been shown that the measurement of the surface irregularity parameters can be applied to evaluate the damage state of a structure, and that it is independent of the type of fatigue load that has caused the damage. As a result, this measurement technique is applicable for a wide range of inspections of composite material structures, from pressurized tanks with constant amplitude loads, to variable amplitude loaded aeronautical structures such as wings and empennages, up to automotive and other industrial applications. PMID:28793655

  3. Dirac-Screening Stabilized Surface-State Transport in a Topological Insulator

    Directory of Open Access Journals (Sweden)

    Christoph Brüne

    2014-12-01

    Full Text Available We report magnetotransport studies on a gated strained HgTe device. This material is a three-dimensional topological insulator and exclusively shows surface-state transport. Remarkably, the Landau-level dispersion and the accuracy of the Hall quantization remain unchanged over a wide density range (3×10^{11}  cm^{−2}surface-state dominated, where bulk transport would have been expected to coexist already. Moreover, the density dependence of the Dirac-type quantum Hall effect allows us to identify the contributions from the individual surfaces. A k·p model can describe the experiments but only when assuming a steep band bending across the regions where the topological surface states are contained. This steep potential originates from the specific screening properties of Dirac systems and causes the gate voltage to influence the position of the Dirac points rather than that of the Fermi level.

  4. Surface Irregularity Factor as a Parameter to Evaluate the Fatigue Damage State of CFRP

    Directory of Open Access Journals (Sweden)

    Pablo Zuluaga-Ramírez

    2015-11-01

    Full Text Available This work presents an optical non-contact technique to evaluate the fatigue damage state of CFRP structures measuring the irregularity factor of the surface. This factor includes information about surface topology and can be measured easily on field, by techniques such as optical perfilometers. The surface irregularity factor has been correlated with stiffness degradation, which is a well-accepted parameter for the evaluation of the fatigue damage state of composite materials. Constant amplitude fatigue loads (CAL and realistic variable amplitude loads (VAL, representative of real in- flight conditions, have been applied to “dog bone” shaped tensile specimens. It has been shown that the measurement of the surface irregularity parameters can be applied to evaluate the damage state of a structure, and that it is independent of the type of fatigue load that has caused the damage. As a result, this measurement technique is applicable for a wide range of inspections of composite material structures, from pressurized tanks with constant amplitude loads, to variable amplitude loaded aeronautical structures such as wings and empennages, up to automotive and other industrial applications.

  5. Analysis of the trajectory surface hopping method from the Markov state model perspective

    International Nuclear Information System (INIS)

    Akimov, Alexey V.; Wang, Linjun; Prezhdo, Oleg V.; Trivedi, Dhara

    2015-01-01

    We analyze the applicability of the seminal fewest switches surface hopping (FSSH) method of Tully to modeling quantum transitions between electronic states that are not coupled directly, in the processes such as Auger recombination. We address the known deficiency of the method to describe such transitions by introducing an alternative definition for the surface hopping probabilities, as derived from the Markov state model perspective. We show that the resulting transition probabilities simplify to the quantum state populations derived from the time-dependent Schrödinger equation, reducing to the rapidly switching surface hopping approach of Tully and Preston. The resulting surface hopping scheme is simple and appeals to the fundamentals of quantum mechanics. The computational approach is similar to the FSSH method of Tully, yet it leads to a notably different performance. We demonstrate that the method is particularly accurate when applied to superexchange modeling. We further show improved accuracy of the method, when applied to one of the standard test problems. Finally, we adapt the derived scheme to atomistic simulation, combine it with the time-domain density functional theory, and show that it provides the Auger energy transfer timescales which are in good agreement with experiment, significantly improving upon other considered techniques. (author)

  6. Duo gating on a 3D topological insulator - independent tuning of both topological surface states

    Science.gov (United States)

    Li, Chuan; de Ronde, Bob; Snelder, Marieke; Stehno, Martin; Huang, Yingkai; Golden, Mark; Brinkman, Alexander; ICE Team; IOP Collaboration

    ABSTRACT: Topological insulators are associated with a trove of exciting physics, such as the ability to host robust anyons, Majorana Bound States, which can be used for quantum computation. For future Majorana devices it is desirable to have the Fermi energy tuned as close as possible to the Dirac point of the topological surface state. Based on previous work on gating BSTS, we report the experimental progress towards gate-tuning of the top and bottom topological surface states of BiSbTeSe2 crystal flakes. When the Fermi level is moved across the Dirac point conduction is shown to change from electron dominated transport to hole dominated transport independently for either surface. In the high magnetic field, one can tune the system precisely between the different landau levels of both surfaces, thus a full gating map of the possible landau levels combination is established. In addition, we provide a simple capacitance model to explain the general hysteresis behaviors in topological insulator systems.

  7. Global potential energy surface of ground state singlet spin O4

    Science.gov (United States)

    Mankodi, Tapan K.; Bhandarkar, Upendra V.; Puranik, Bhalchandra P.

    2018-02-01

    A new global potential energy for the singlet spin state O4 system is reported using CASPT2/aug-cc-pVTZ ab initio calculations. The geometries for the six-dimensional surface are constructed using a novel point generation scheme that employs randomly generated configurations based on the beta distribution. The advantage of this scheme is apparent in the reduction of the number of required geometries for a reasonably accurate potential energy surface (PES) and the consequent decrease in the overall computational effort. The reported surface matches well with the recently published singlet surface by Paukku et al. [J. Chem. Phys. 147, 034301 (2017)]. In addition to the O4 PES, the ground state N4 PES is also constructed using the point generation scheme and compared with the existing PES [Y. Paukku et al., J. Chem. Phys. 139, 044309 (2013)]. The singlet surface is constructed with the aim of studying high energy O2-O2 collisions and predicting collision induced dissociation cross section to be used in simulating non-equilibrium aerothermodynamic flows.

  8. Forced synchronization of large-scale circulation to increase predictability of surface states

    Science.gov (United States)

    Shen, Mao-Lin; Keenlyside, Noel; Selten, Frank; Wiegerinck, Wim; Duane, Gregory

    2016-04-01

    Numerical models are key tools in the projection of the future climate change. The lack of perfect initial condition and perfect knowledge of the laws of physics, as well as inherent chaotic behavior limit predictions. Conceptually, the atmospheric variables can be decomposed into a predictable component (signal) and an unpredictable component (noise). In ensemble prediction the anomaly of ensemble mean is regarded as the signal and the ensemble spread the noise. Naturally the prediction skill will be higher if the signal-to-noise ratio (SNR) is larger in the initial conditions. We run two ensemble experiments in order to explore a way to reduce the SNR of surface winds and temperature. One ensemble experiment is AGCM with prescribing sea surface temperature (SST); the other is AGCM with both prescribing SST and nudging the high-level temperature and winds to ERA-Interim. Each ensemble has 30 members. Larger SNR is expected and found over the tropical ocean in the first experiment because the tropical circulation is associated with the convection and the associated surface wind convergence as these are to a large extent driven by the SST. However, small SNR is found over high latitude ocean and land surface due to the chaotic and non-synchronized atmosphere states. In the second experiment the higher level temperature and winds are forced to be synchronized (nudged to reanalysis) and hence a larger SNR of surface winds and temperature is expected. Furthermore, different nudging coefficients are also tested in order to understand the limitation of both synchronization of large-scale circulation and the surface states. These experiments will be useful for the developing strategies to synchronize the 3-D states of atmospheric models that can be later used to build a super model.

  9. An Information Retrieval Approach for Robust Prediction of Road Surface States.

    Science.gov (United States)

    Park, Jae-Hyung; Kim, Kwanho

    2017-01-28

    Recently, due to the increasing importance of reducing severe vehicle accidents on roads (especially on highways), the automatic identification of road surface conditions, and the provisioning of such information to drivers in advance, have recently been gaining significant momentum as a proactive solution to decrease the number of vehicle accidents. In this paper, we firstly propose an information retrieval approach that aims to identify road surface states by combining conventional machine-learning techniques and moving average methods. Specifically, when signal information is received from a radar system, our approach attempts to estimate the current state of the road surface based on the similar instances observed previously based on utilizing a given similarity function. Next, the estimated state is then calibrated by using the recently estimated states to yield both effective and robust prediction results. To validate the performances of the proposed approach, we established a real-world experimental setting on a section of actual highway in South Korea and conducted a comparison with the conventional approaches in terms of accuracy. The experimental results show that the proposed approach successfully outperforms the previously developed methods.

  10. Evaluating effect of surface state density at the interfaces in degraded bulk heterojunction organic solar cell

    International Nuclear Information System (INIS)

    Arora, Swati; Singh, Vinamrita; Arora, Manoj; Pal Tandon, Ram

    2012-01-01

    Degradation and short shelf life have been observed experimentally in poly(3-hexylthiophene) (P3HT): 6,6-phenyl C61-butyric acid methyl ester (PCBM) based blend solar cells. Both dark and illuminated current-voltage characteristics could be explained quantitatively with a proposed single model for a typical degraded organic solar cell-glass/ITO/PEDOT:PSS/P3HT:PCBM/Al. It has been found that surface state density, interface thickness, tunneling coefficient and occupation probabilities of the interface states becomes important with the passage of time. To look into the problem the activity at ITO/PEDOT:PSS and P3HT:PCBM/Al interfaces are studied using realistic values of the interfaces. The experimental J-V characteristics is well explained with the inclusion of tunneling current through these surface states and becomes the dominant current component for the degraded cell. It is also found that surface state density increases to 10 12 -10 13 cm -2 eV -1 , which has been verified with C-V measurements and also is in agreement with our proposed model for BHJ solar cell after 150 h of fabrication.

  11. Evaluating effect of surface state density at the interfaces in degraded bulk heterojunction organic solar cell

    Energy Technology Data Exchange (ETDEWEB)

    Arora, Swati, E-mail: drswatia@yahoo.com [Department of Physics, Zakir Husain College, University of Delhi, Delhi 110002 (India); Singh, Vinamrita [Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India); Arora, Manoj [Department of Physics, Ramjas College, University of Delhi, Delhi 110007 (India); Pal Tandon, Ram [Department of Physics and Astrophysics, University of Delhi, Delhi 110007 (India)

    2012-08-01

    Degradation and short shelf life have been observed experimentally in poly(3-hexylthiophene) (P3HT): 6,6-phenyl C61-butyric acid methyl ester (PCBM) based blend solar cells. Both dark and illuminated current-voltage characteristics could be explained quantitatively with a proposed single model for a typical degraded organic solar cell-glass/ITO/PEDOT:PSS/P3HT:PCBM/Al. It has been found that surface state density, interface thickness, tunneling coefficient and occupation probabilities of the interface states becomes important with the passage of time. To look into the problem the activity at ITO/PEDOT:PSS and P3HT:PCBM/Al interfaces are studied using realistic values of the interfaces. The experimental J-V characteristics is well explained with the inclusion of tunneling current through these surface states and becomes the dominant current component for the degraded cell. It is also found that surface state density increases to 10{sup 12}-10{sup 13} cm{sup -2} eV{sup -1}, which has been verified with C-V measurements and also is in agreement with our proposed model for BHJ solar cell after 150 h of fabrication.

  12. Surface hopping, transition state theory and decoherence. I. Scattering theory and time-reversibility.

    Science.gov (United States)

    Jain, Amber; Herman, Michael F; Ouyang, Wenjun; Subotnik, Joseph E

    2015-10-07

    We provide an in-depth investigation of transmission coefficients as computed using the augmented-fewest switches surface hopping algorithm in the low energy regime. Empirically, microscopic reversibility is shown to hold approximately. Furthermore, we show that, in some circumstances, including decoherence on top of surface hopping calculations can help recover (as opposed to destroy) oscillations in the transmission coefficient as a function of energy; these oscillations can be studied analytically with semiclassical scattering theory. Finally, in the spirit of transition state theory, we also show that transmission coefficients can be calculated rather accurately starting from the curve crossing point and running trajectories forwards and backwards.

  13. 3He impurity states on liquid 4He: From thin films to the bulk surface

    International Nuclear Information System (INIS)

    Pavloff, N.; Treiner, J.

    1991-01-01

    The structure of the states accessible to 3 He impurities in films of liquid 4 He on Nuclepore is investigated using a density functional approach with a finite-range effective interaction. In thick films, one finds that the two lowest states are localized in the surface region. For thinner films, the variation with film thickness of the first three states results from a delicate balance between the attractive tail of the substrate potential and the quantum finite-size effect. The existence of states localized in the second layer of the films is discussed. The energy difference between the ground state and the first excited state agrees with the recent determination of Higley, Sprague, and Hallock from magnetization measurements. The effective mass of the ground state has a structure similar to that obtained by Krotscheck and coworkers and exhibits a maximum for a 4 He coverage of 0.15 angstrom -2 , in agreement with the data of Gasparini and coworkers. A similar behavior is predicted for the effective mass of the first, second, and third excited states. The structure of the energy spectrum may also explain former results on third-sound measurements in thin mixture films by Laheurte et al. and by Hallock

  14. Continuum theory of the mixed-state and surface Joule effects in type-II superconductors

    International Nuclear Information System (INIS)

    Hocquet, T.; Mathieu, P.; Simon, Y.

    1992-01-01

    A phenomenological theory of vortex motion, where the mixed state is regarded as a continuum, has been proposed by two of the authors in a short previous letter. Its outlines are recalled in this paper with further comments and arguments; in particular the basic equations and their implications are discussed at some length. This theory leads to a model of pinning, from which we argue that critical currents I c , in soft type-II samples of standard bulk homogeneity, should be governed essentially by surface defects. I c is interpreted as a physically well-defined part of the total transport current I, which is flowing over a small depth close to the surface. Thus, on the scale of an ordinary sample, this part of the transport current is superficial, the remaining part I-I c being uniformly distributed over the cross section. Coherently, an analysis of the dissipation in such samples predicts that the part VI c of the total Joule effect VI must arise as surface heat sources, while the Joule effect V(I-I c ), usually associated with the steady viscous flow of vortices, is uniformly distributed in the bulk. As a proof, we present a method, using second-sound acoustics, to detect and separate surface and volume heat sources. Experimental results give clear evidence of a surface Joule effect, and support the validity of our model of surface pinning in soft materials

  15. Applied research for profilometric testing of the state of interior surfaces in heat exchanger tubes

    International Nuclear Information System (INIS)

    Gyongyosi, Tiberiu; Panaitescu, Valeriu Nicolae

    2009-01-01

    Generally, the surface flaws identified at heat exchangers tubing are characteristic for the heat secondary systems, located on the external surfaces of the heat exchanger tubes and are mostly the results of the ageing phenomena in systems operation. The tests performed, with the impressing replicating device confirmed the applicability of the technique, functionality of the device and resulted in replicas on metal support, these being the hard copy of the negative of the test tube surface, allowing the profile measurement. The visual inspection of the replicas on the metallic support gives information about the surface geometry replicated, pointing out the marks, which belong to the same area under observation. The minimum and maximum values for the depth of the channel worked out in the inner test tube wall have been determined by profile graphic measurement on the replicas. The paper presents the structural and functional description of the experimental devices. The first results and some conclusions are also included. Two patent applications were submitted at State Office for Inventions and Trademarks (OSIM) covering the original data to protect royalty: 'The local pit flaws, scratches, incipient micro-cracks replicating device on inner cylindrical surfaces', under no. A/00299/17.04.2008 and 'The annular local flaw, incipient micro-cracks replicating device on inner cylindrical surface' under no. A/00300/17.04.2008

  16. Passivation of surface states of α-Fe2O3(0001) surface by deposition of Ga2O3 overlayers: A density functional theory study.

    Science.gov (United States)

    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.

  17. Rydberg-state reionization of multiply charged ions escaping from solid surfaces

    International Nuclear Information System (INIS)

    Nedeljkovic, Lj.D.; Nedeljkovic, N.N.

    2003-01-01

    Reionization rates of Rydberg states (n>>1 and l=0, 1, and 2) of multiply charged ionic projectiles escaping solid surfaces are calculated. These rates are obtained in an analytic form as a function of the ion-surface distance R. A phenomenological model of the reionization process, based on two-state quantum dynamics, is adopted for the vicinity of the potential barrier top. The results of calculations show that ionization rates for different Rydberg states are strictly localized and relatively separated. Universality of the reionization rate as a function of the scaling parameter α, describing the turning point configurations, is demonstrated. The reionization is discussed within the framework of a nonresonant population-reionization process at intermediate ionic velocities (v∼1 a.u.). The influence of reionization on the population of ionic Rydberg states is expressed in terms of a renormalized neutralization rate. It is demonstrated that the reionization effect significantly changes the population curves for all Rydberg states. The population curves obtained correlate with beam-foil experimental data concerning the S VI, Cl VII, and Ar VIII ions

  18. The Rashba-split surface state of Sb{sub 2}Te{sub 3}(0 0 0 1) and its interaction with bulk states

    Energy Technology Data Exchange (ETDEWEB)

    Seibel, Christoph; Maaß, Henriette [Experimentelle Physik VII and Röntgen Research Center for Complex Materials (RCCM), Universität Würzburg, Am Hubland, D-97074 Würzburg (Germany); Bentmann, Hendrik, E-mail: Hendrik.Bentmann@physik.uni-wuerzburg.de [Experimentelle Physik VII and Röntgen Research Center for Complex Materials (RCCM), Universität Würzburg, Am Hubland, D-97074 Würzburg (Germany); Braun, Jürgen [Department Chemie, Physikalische Chemie, Universität München, Butenandtstrasse 5-13, D-81377 München (Germany); Sakamoto, Kazuyuki [Department of Nanomaterials Science, Chiba University, Chiba 263-8522 (Japan); Arita, Masashi; Shimada, Kenya [Hiroshima Synchrotron Radiation Center, Hiroshima University, Kagamiyama 2-313, Higashi-Hiroshima 739-0046 (Japan); Minár, Jan [Department Chemie, Physikalische Chemie, Universität München, Butenandtstrasse 5-13, D-81377 München (Germany); New Technologies – Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic); Ebert, Hubert [Department Chemie, Physikalische Chemie, Universität München, Butenandtstrasse 5-13, D-81377 München (Germany); and others

    2015-05-15

    Highlights: • We investigate a spin–orbit split surface state on the Sb{sub 2}Te{sub 3}(0 0 0 1) surface. • The spin-splitting and dispersion follow the Rashba model at small wave vectors. • At higher wave vectors the spin-splitting shows an unsual non-monotonic evolution. • The spin-polarized surface bands connect with different bulk bands at the gap edge. - Abstract: The electronic structure of the Sb{sub 2}Te{sub 3}(0 0 0 1) surface exhibits a spin–orbit split surface state in a local energy gap of the projected bulk valence band continuum. We investigate this surface state by high-resolution angle-resolved photoemission spectroscopy (ARPES), spin-resolved ARPES and relativistic one-step photoemission calculations. At low wave vectors the dispersion and spin splitting are well-captured by the predictions of the Rashba model for a two-dimensional electron system. With increasing wave vectors, however, the surface state dispersion becomes more complex and the spin splitting size exhibits an unusual non-monotonic evolution. These deviations from the Rashba model arise from the influence of bulk continuum states near the edge of the projected gap. The spin polarization of the surface state remains intact despite the coupling to bulk states.

  19. Chemical imaging and solid state analysis at compact surfaces using UV imaging

    DEFF Research Database (Denmark)

    Wu, Jian X.; Rehder, Sönke; van den Berg, Frans

    2014-01-01

    and excipients in a non-invasive way, as well as mapping the glibenclamide solid state form. An exploratory data analysis supported the critical evaluation of the mapping results and the selection of model parameters for the chemical mapping. The present study demonstrated that the multi-wavelength UV imaging......Fast non-destructive multi-wavelength UV imaging together with multivariate image analysis was utilized to visualize distribution of chemical components and their solid state form at compact surfaces. Amorphous and crystalline solid forms of the antidiabetic compound glibenclamide...

  20. Surface/state correspondence and bulk local operators in pp-wave holography

    Directory of Open Access Journals (Sweden)

    Nakwoo Kim

    2015-12-01

    Full Text Available We apply the surface/state correspondence proposal of Miyaji et al. to IIB pp-waves and propose that the bulk local operators should be instantonic D-branes. In line with ordinary AdS/CFT correspondence, the bulk local operators in pp-waves also create a hole, or a boundary, in the dual gauge theory as pointed out by H. Verlinde, and by Y. Nakayama and H. Ooguri. We also present simple calculations which illustrate how to extract the spacetime metric of pp-waves from instantonic D-branes in boundary state formalism.

  1. Isolate extended state in the DNA molecular transistor with surface interaction

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Le, E-mail: wang_le917@gs.zzu.edu.cn; Qin, Zhi-Jie

    2016-02-01

    The field effect characteristic of a DNA molecular device is investigated in a tight binding model with binary disorder and side site correlation. Using the transfer-matrix method and Landauer–Büttiker theory, we find that the system has isolated extended state that is irrespective of the DNA sequence and can be modulated by the gate voltage. When the gate voltage reaches some proper value, the isolated extended state appears at the Fermi level of the system and the long range charge transport is greatly enhanced. We attribute this phenomenon to the combination of the external field, the surface interaction, and the intrinsic disorder of DNA. The result is a generic feature of the nanowire with binary disorder and surface interaction.

  2. Engineering the temporal response of photoconductive photodetectors via selective introduction of surface trap states.

    Science.gov (United States)

    Konstantatos, Gerasimos; Levina, Larissa; Fischer, Armin; Sargent, Edward H

    2008-05-01

    Photoconductive photodetectors fabricated using simple solution-processing have recently been shown to exhibit high gains (>1000) and outstanding sensitivities ( D* > 10(13) Jones). One ostensible disadvantage of exploiting photoconductive gain is that the temporal response is limited by the release of carriers from trap states. Here we show that it is possible to introduce specific chemical species onto the surfaces of colloidal quantum dots to produce only a single, desired trap state having a carefully selected lifetime. In this way we demonstrate a device that exhibits an attractive photoconductive gain (>10) combined with a response time ( approximately 25 ms) useful in imaging. We achieve this by preserving a single surface species, lead sulfite, while eliminating lead sulfate and lead carboxylate. In doing so we preserve the outstanding sensitivity of these devices, achieving a specific detectivity of 10(12) Jones in the visible, while generating a temporal response suited to imaging applications.

  3. Transient surface states during the CBE growth of GaAs

    Science.gov (United States)

    Farrell, T.; Hill, D.; Joyce, T. B.; Bullough, T. J.; Weightman, P.

    1997-05-01

    We report the occurrence of a transient surface state during the initial stages of CBE GaAs(0 0 1) growth. The state was detected in real-time reflectance ( R) and reflectance anisotropy spectroscopy (RAS) growth monitoring. At low growth rates, less than 1 μm/h, beam equivalent pressure (BEP) of triethylgallium (TEG) BEPs there was a rapid increase in R at all monitoring wavelengths, followed by a monotonic decay to its pre-growth value. This transient increase in R was accompanied by a change in the RAS signal, the magnitude and sign of which varied with wavelength. The initial increase in R is shown to be associated with the development of a metallic-like surface whereas the changes in the RAS signal are consistent with the formation of Ga dimers.

  4. Investigation of series resistance and surface states in Au/n - GaP structures

    International Nuclear Information System (INIS)

    Kiymaz, A.; Onal, B.; Ozer, M.; Acar, S.

    2009-01-01

    The variation in series resistance and surface state density of Au/n - GaP Schottky diodes have been systematically investigated at room temperature by using capacitance-voltage C-V and conductance-voltage G/w-V measurements techniques. The C-V and G/w-V characteristics of these devices were investigated by considering series resistance effects in a wide frequency range. It is shown that the capacitance of the Au/n - GaP Schottky diode decreases with increasing frequency. It is assumed that the surface states were responsible for this behaviour. The distribution profile of Rs-V gives a peak in the depletion region at low frequencies and disappears with increasing frequencies

  5. Research of state of metal welded joint by deformation and corrosion surface projection parameters

    Directory of Open Access Journals (Sweden)

    Demchenko Maria Vyacheslavovna

    2017-10-01

    Full Text Available At industrial enterprises in building structures and equipment one can see corrosion damage, as well as damage accumulated during operation period. The areas of stress concentration are welded joints as their structure is heterogeneous. From the point of view of the scale hierarchy, the welded joint represents the welded and base metal zones at the meso-macrolevel, the weld zone, the thermal zone, the base metal at the micro-mesolevel, the grain constituents at the nano-microlevel. Borders are the stress concentrators at different scale levels, thus they becomes the most dangerous places of metal structure. Modeling by the molecular dynamics method at the atomic level has shown nanocracks initiation in triple junctions of grain boundaries and on the ledges of the grain boundaries. Due to active development of nanotechnology, it became possible to evaluate the state of the weld metal at the nanoscale, where irreversible changes take place from the very beginning. Existing methods of nondestructive testing can detect damage only at the meso- and macrolevel. Modern equipment makes it possible to use other methods of control and approaches. For example, according to GOST R55046-2012 and R57223-2016, the analysis of the parameters of the surface projection deformation performed by confocal laser scanning microscopy should be taken into account when the evaluation of state of metal pipelines is carried out. However, there is a problem to monitore it due to various factors affecting the surface during operation. The paper proposes an additional method to estimate the state of weld metal at any stage of deformation that uses 3D analysis of the parameters of the «artificial» corrosion relief of surface. During the operation period changes in the stress-strain state and structure of the metal take place, as the result the character and depth of etching of the grains of the structural components and their boundaries change too. Evaluation of the

  6. Acidic deposition: State of science and technology. Report 15. Liming acidic surface waters. Final report

    International Nuclear Information System (INIS)

    Olem, H.; Thornelof, E.; Sandoy, S.; Schreiber, R.K.

    1990-09-01

    The document describes the science and technology of aquatic liming--a method for improving the water quality of acidic surface waters to restore or enhance fisheries. The report is a comprehensive compilation of years of research in North America and Europe by dozens of scientists. Several mitigation technologies--including those that have only been proposed--are critically evaluated along with the effects of liming on water chemistry and aquatic biota. Through these evaluations, the state of the science and technology of aquatic liming is identified for the reader. Whole-lake liming is now recognized as a valuable management tool for acidic surface waters and their fisheries. However, some liming technologies are considered experimental and will need further evaluation. Distinctions between technologies are included--as is the distinction between liming acidic surface waters and reducing acidifying emissions

  7. Stable Weyl points, trivial surface states, and particle-hole compensation in WP2

    Science.gov (United States)

    Razzoli, E.; Zwartsenberg, B.; Michiardi, M.; Boschini, F.; Day, R. P.; Elfimov, I. S.; Denlinger, J. D.; Süss, V.; Felser, C.; Damascelli, A.

    2018-05-01

    A possible connection between extremely large magnetoresistance and the presence of Weyl points has garnered much attention in the study of topological semimetals. Exploration of these concepts in transition-metal diphosphides WP2 has been complicated by conflicting experimental reports. Here we combine angle-resolved photoemission spectroscopy (ARPES) and density functional theory (DFT) calculations to disentangle surface and bulk contributions to the ARPES intensity, the superposition of which has plagued the determination of the band structure in WP2. Our results show that while the hole- and electronlike Fermi surface sheets originating from surface states have different areas, the bulk-band structure of WP2 is electron-hole compensated in agreement with DFT. Furthermore, the ARPES band structure is compatible with the presence of at least four temperature-independent Weyl points, confirming the topological nature of WP2 and its stability against lattice distortions.

  8. Noncontact surface tension and viscosity measurements of rhenium in the liquid and undercooled states

    International Nuclear Information System (INIS)

    Ishikawa, Takehiko; Paradis, Paul-Francois; Yoda, Shinichi

    2004-01-01

    Surface tension and viscosity of liquid rhenium, which have hardly been measured due to the extremely high melting temperature of rhenium, were measured using an electrostatic levitation method combined with the oscillation drop technique. Sample position instability problems caused by the photon pressure of the heating lasers and by sample evaporation were solved by modifying the electrodes design. Good sample stability allowed the measurements of the surface tension and the viscosity over wide temperature ranges including the undercooled states. Over the 2800-3600 K interval, the surface tension of rhenium was measured as σ(T)=2.71x10 3 -0.23(T-T m ), where T m is the melting temperature, 3453 K. At T m , the datum agrees well with the literature values. Similarly, on the same temperature range, the viscosity was determined as η(T)=0.08 exp[1.33x10 5 /(RT)] (mPa s)

  9. Single quantum dot tracking reveals the impact of nanoparticle surface on intracellular state.

    Science.gov (United States)

    Zahid, Mohammad U; Ma, Liang; Lim, Sung Jun; Smith, Andrew M

    2018-05-08

    Inefficient delivery of macromolecules and nanoparticles to intracellular targets is a major bottleneck in drug delivery, genetic engineering, and molecular imaging. Here we apply live-cell single-quantum-dot imaging and tracking to analyze and classify nanoparticle states after intracellular delivery. By merging trajectory diffusion parameters with brightness measurements, multidimensional analysis reveals distinct and heterogeneous populations that are indistinguishable using single parameters alone. We derive new quantitative metrics of particle loading, cluster distribution, and vesicular release in single cells, and evaluate intracellular nanoparticles with diverse surfaces following osmotic delivery. Surface properties have a major impact on cell uptake, but little impact on the absolute cytoplasmic numbers. A key outcome is that stable zwitterionic surfaces yield uniform cytosolic behavior, ideal for imaging agents. We anticipate that this combination of quantum dots and single-particle tracking can be widely applied to design and optimize next-generation imaging probes, nanoparticle therapeutics, and biologics.

  10. Passivating surface states on water splitting hematite photoanodes with alumina overlayers

    KAUST Repository

    Le Formal, Florian; Té treault, Nicolas; Cornuz, Maurin; Moehl, Thomas; Grä tzel, Michael; Sivula, Kevin

    2011-01-01

    Hematite is a promising material for inexpensive solar energy conversion via water splitting but has been limited by the large overpotential (0.5-0.6 V) that must be applied to afford high water oxidation photocurrent. This has conventionally been addressed by coating it with a catalyst to increase the kinetics of the oxygen evolution reaction. However, surface recombination at trapping states is also thought to be an important factor for the overpotential, and herein we investigate a strategy to passivate trapping states using conformal overlayers applied by atomic layer deposition. While TiO2 overlayers show no beneficial effect, we find that an ultra-thin coating of Al2O3 reduces the overpotential required with state-of-the-art nano-structured photo-anodes by as much as 100 mV and increases the photocurrent by a factor of 3.5 (from 0.24 mA cm-2 to 0.85 mA cm-2) at +1.0 V vs. the reversible hydrogen electrode (RHE) under standard illumination conditions. The subsequent addition of Co2+ ions as a catalyst further decreases the overpotential and leads to a record photocurrent density at 0.9 V vs. RHE (0.42 mA cm-2). A detailed investigation into the effect of the Al2O3 overlayer by electrochemical impedance and photoluminescence spectroscopy reveals a significant change in the surface capacitance and radiative recombination, respectively, which distinguishes the observed overpotential reduction from a catalytic effect and confirms the passivation of surface states. Importantly, this work clearly demonstrates that two distinct loss processes are occurring on the surface of high-performance hematite and suggests a viable route to individually address them. © The Royal Society of Chemistry 2011.

  11. Changes of surface electron states of InP under soft X-rays irradiation

    International Nuclear Information System (INIS)

    Yang Zhian; Yang Zushen; Jin Tao; Qui Rexi; Cui Mingqi; Liu Fengqin

    1999-01-01

    Changes of surface electronic states of InP under 1 keV X-ray irradiation is studied by X-ray photoelectron spectroscopy (XPS) and ultraviolet ray energy spectroscopy (UPS). The results show that the soft X-ray irradiation has little effect on In atoms but much on P atoms. The authors analysed the mechanism of irradiation and explained the major effect

  12. Passivating surface states on water splitting hematite photoanodes with alumina overlayers

    KAUST Repository

    Le Formal, Florian

    2011-01-24

    Hematite is a promising material for inexpensive solar energy conversion via water splitting but has been limited by the large overpotential (0.5-0.6 V) that must be applied to afford high water oxidation photocurrent. This has conventionally been addressed by coating it with a catalyst to increase the kinetics of the oxygen evolution reaction. However, surface recombination at trapping states is also thought to be an important factor for the overpotential, and herein we investigate a strategy to passivate trapping states using conformal overlayers applied by atomic layer deposition. While TiO2 overlayers show no beneficial effect, we find that an ultra-thin coating of Al2O3 reduces the overpotential required with state-of-the-art nano-structured photo-anodes by as much as 100 mV and increases the photocurrent by a factor of 3.5 (from 0.24 mA cm-2 to 0.85 mA cm-2) at +1.0 V vs. the reversible hydrogen electrode (RHE) under standard illumination conditions. The subsequent addition of Co2+ ions as a catalyst further decreases the overpotential and leads to a record photocurrent density at 0.9 V vs. RHE (0.42 mA cm-2). A detailed investigation into the effect of the Al2O3 overlayer by electrochemical impedance and photoluminescence spectroscopy reveals a significant change in the surface capacitance and radiative recombination, respectively, which distinguishes the observed overpotential reduction from a catalytic effect and confirms the passivation of surface states. Importantly, this work clearly demonstrates that two distinct loss processes are occurring on the surface of high-performance hematite and suggests a viable route to individually address them. © The Royal Society of Chemistry 2011.

  13. Effect of fiber surface state on mechanical properties of Cf/Si-O-C composites

    International Nuclear Information System (INIS)

    Wang Song; Chen Zhaohui; Ma Qingsong; Hu Haifeng; Zheng Wenwei

    2005-01-01

    Three-dimensional braided carbon fiber reinforced silicon oxycarbide composites (3D-B C f /Si-O-C) were fabricated via a polysiloxane infiltration and pyrolysis route. The effects of fiber surface state on microstructure and mechanical properties of C f /Si-O-C composites were investigated. The change of carbon fiber surface state was achieved via heat treatment in vacuum. The results showed that heat treatment decreased carbon fiber surface activity due to the decrease of the amount of oxygen and nitrogen atoms. The C f /Si-O-C composites fabricated from the carbon fiber with low surface activity had excellent mechanical properties, which resulted from perfect interfacial bonding and good in situ fiber strength. The flexural strength and fracture toughness of the C f /Si-O-C composites from the treated fiber were 534 MPa and 23.4 MPa m 1/2 , respectively, which were about 7 and 11 times more than those of the composites from the as-received carbon fiber, respectively

  14. 'Memory' and sustention of microdischarges in a steady-state DBD: volume plasma or surface charge?

    International Nuclear Information System (INIS)

    Akishev, Yuri; Aponin, Gregory; Balakirev, Anton; Grushin, Mikhail; Karalnik, Vladimir; Petryakov, Alexander; Trushkin, Nikolay

    2011-01-01

    The results of a numerical study on the spatio-temporal behavior of transient microdischarges (MDs) in a steady-state dielectric barrier discharge (DBD) excited by a sinusoidal voltage are presented. MDs have a spatial 'memory'-every subsequent MD appears at exactly the same location occupied by the MD at the preceding half-period (HP). In the majority of cases each MD appears at its location only once during every HP. For such a case, the memory effect is not attributed to the residual surface charge deposited by the preceding MD but determined by the residual MD plasma column shunting the gap right up to the beginning of the next HP. In contrast to good memory in space, each individual MD has a large scatter with time in its appearance within every HP, i.e. there is no 'memory' concerning the phase of an applied voltage. This MD jittering within the period is attributed to the stochastic nature of partial surface breakdowns around the bases of the MD plasma column. Numerical calculations show that surface breakdown provides an MD current splash at every HP. Hence, in the steady-state DBD, the volume plasma is responsible for the existence of MD spatial 'memory' (i.e. where the MD appears), and the deposited surface charge is responsible for MD jittering in time (i.e. when the MD appears).

  15. Anisotropic surface-state-mediated RKKY interaction between adatoms on a hexagonal lattice

    Science.gov (United States)

    Patrone, Paul N.; Einstein, T. L.

    2012-01-01

    Motivated by recent numerical studies of Ag on Pt(111), we derive an expression for the RKKY interaction mediated by surface states, considering the effect of anisotropy in the Fermi edge. Our analysis is based on a stationary phase approximation. The main contribution to the interaction comes from electrons whose Fermi velocity vF is parallel to the vector R connecting the interacting adatoms; we show that, in general, the corresponding Fermi wave vector kF is not parallel to R. The interaction is oscillatory; the amplitude and wavelength of oscillations have angular dependence arising from the anisotropy of the surface-state band structure. The wavelength, in particular, is determined by the projection of this kF (corresponding to vF) onto the direction of R. Our analysis is easily generalized to other systems. For Ag on Pt(111), our results indicate that the RKKY interaction between pairs of adatoms should be nearly isotropic and so cannot account for the anisotropy found in the studies motivating our work. However, for metals with surface-state dispersions similar to Be(101¯0), we show that the RKKY interaction should have considerable anisotropy.

  16. Unraveling surface and bulk trap states in lead halide perovskite solar cells using impedance spectroscopy

    Science.gov (United States)

    Han, Changfeng; Wang, Kai; Zhu, Xixiang; Yu, Haomiao; Sun, Xiaojuan; Yang, Qin; Hu, Bin

    2018-03-01

    Organic-inorganic hybrid perovskites (OIHPs) have been widely recognized as an excellent candidate for next-generation photovoltaic materials because of their highly efficient power conversion. Acquiring a complete understanding of trap states and dielectric properties in OIHP-based solar cells at the steady state is highly desirable in order to further explore and improve their optoelectronic functionalities and properties. We report CH3NH3PbI3-x Cl x -based planar solar cells with a power conversion efficiency (PCE) of 15.8%. The illumination intensity dependence of the current density-voltage (J-V) revealed the presence of trap-assisted recombination at low fluences. Non-destructive ac impedance spectroscopy (ac-IS) was applied to characterize the device at the steady state. The capacitance-voltage (C-V) spectra exhibited some distinct variations at a wide range of ac modulation frequencies with and without photo-excitations. Since the frequency-dependent chemical capacitance ({{C}μ }) is concerned with the surface and bulk related density of states (DOS) in CH3NH3PbI3-x Cl x , we verified this by fitting the corresponding DOS by a Gaussian distribution function. We ascertained that the electronic sub-gap trap states present in the solution processed CH3NH3PbI3-x Cl x and their distribution differs from the surface to the bulk. In fact, we demonstrated that both surfaces that were adjacent to the electron and hole transport layers featured analogous DOS. Despite this, photo- and bias-induced giant dielectric responses (i.e. both real and imaginary parts) were detected. A remarkable reduction of {{C}μ } at higher frequencies (i.e. more than 100 kHz) was ascribed to the effect of dielectric loss in CH3NH3PbI3-x Cl x .

  17. State-dependent errors in a land surface model across biomes inferred from eddy covariance observations on multiple timescales

    NARCIS (Netherlands)

    Wang, T.; Brender, P.; Ciais, P.; Piao, S.; Mahecha, M.D.; Chevallier, F.; Reichstein, M.; Ottle, C.; Maignan, F.; Arain, A.; Bohrer, G.; Cescatti, A.; Kiely, G.; Law, B.E.; Lutz, M.; Montagnani, L.; Moors, E.J.

    2012-01-01

    Characterization of state-dependent model biases in land surface models can highlight model deficiencies, and provide new insights into model development. In this study, artificial neural networks (ANNs) are used to estimate the state-dependent biases of a land surface model (ORCHIDEE: ORganising

  18. Nanoscale surface modifications of medically relevant metals: state-of-the art and perspectives

    Science.gov (United States)

    Variola, Fabio; Brunski, John B.; Orsini, Giovanna; Tambasco de Oliveira, Paulo; Wazen, Rima; Nanci, Antonio

    2011-02-01

    Evidence that nanoscale surface properties stimulate and guide various molecular and biological processes at the implant/tissue interface is fostering a new trend in designing implantable metals. Cutting-edge expertise and techniques drawn from widely separated fields, such as nanotechnology, materials engineering and biology, have been advantageously exploited to nanoengineer surfaces in ways that control and direct these processes in predictable manners. In this review, we present and discuss the state-of-the-art of nanotechnology-based approaches currently adopted to modify the surface of metals used for orthopedic and dental applications, and also briefly consider their use in the cardiovascular field. The effects of nanoengineered surfaces on various in vitro molecular and cellular events are firstly discussed. This review also provides an overview of in vivo and clinical studies with nanostructured metallic implants, and addresses the potential influence of nanotopography on biomechanical events at interfaces. Ultimately, the objective of this work is to give the readership a comprehensive picture of the current advances, future developments and challenges in the application of the infinitesimally small to biomedical surface science. We believe that an integrated understanding of the in vitro and particularly of the in vivo behavior is mandatory for the proper exploitation of nanostructured implantable metals and, indeed, of all biomaterials.

  19. Self-Assembled Si(111) Surface States: 2D Dirac Material for THz Plasmonics.

    Science.gov (United States)

    Wang, Z F; Liu, Feng

    2015-07-10

    Graphene, the first discovered 2D Dirac material, has had a profound impact on science and technology. In the last decade, we have witnessed huge advances in graphene related fundamental and applied research. Here, based on first-principles calculations, we propose a new 2D Dirac band on the Si(111) surface with 1/3 monolayer halogen coverage. The sp(3) dangling bonds form a honeycomb superstructure on the Si(111) surface that results in an anisotropic Dirac band with a group velocity (∼10(6)  m/s) comparable to that in graphene. Most remarkably, the Si-based surface Dirac band can be used to excite a tunable THz plasmon through electron-hole doping. Our results demonstrate a new way to design Dirac states on a traditional semiconductor surface, so as to make them directly compatible with Si technology. We envision this new type of Dirac material to be generalized to other semiconductor surfaces with broad applications.

  20. Accurate adiabatic energy surfaces for the ground and first excited states of He2+

    International Nuclear Information System (INIS)

    Lee, E.P.F.

    1993-01-01

    Different factors affecting the accuracy of the computed energy surfaces of the ground and first excited state of He 2 + have been examined, including the choice of the one-and many-particle bases, the configurational space in the MRCI (multi-reference configuration interaction) calculations and other corrections such as the Davidson and the full counterpoise (CP) correction. From basis-variation studies, it was concluded that multi-reference direct-CI calculations (MRDCI) using CASSCF MOs and/or natural orbitals (NOs) from a smaller CISD calculation, gave results close to full CI. The computed dissociation energies, D e , for the ground and first excited state of He 2 + were 2.4670 (2.4659) eV and 17.2 (17.1) cm -1 , respectively, at the highest level [without and with CP correction for basis-set superposition errors (BSSE)] of calculation with an [11s8p3d1f] GTO contraction, in reasonably good agreement with previous calculations, and estimated correct values, where available. It is believed that the computed D e , and the energy surface for the first excited state should be reasonably accurate. However, for the ground state, the effects of multiple f functions and/or functions of higher angular momentum have not been investigated owing to limitation of the available computing resources. This is probably the only weakness is the present study. (Author)

  1. Role of the oxidation state of cerium on the ceria surfaces for silicate adsorption

    Energy Technology Data Exchange (ETDEWEB)

    Seo, Jihoon [WCD Department of Energy Engineering, Hanyang University, Seoul (Korea, Republic of); Moon, Jinok [WCD Department of Energy Engineering, Hanyang University, Seoul (Korea, Republic of); Clean/CMP Technology Team, Memory, Samsung Electronics, Hwaseong (Korea, Republic of); Kim, Joo Hyun; Lee, Kangchun [WCD Department of Energy Engineering, Hanyang University, Seoul (Korea, Republic of); Hwang, Junha [WCD Department of Energy Engineering, Hanyang University, Seoul (Korea, Republic of); Materials R& D Center, K.C.Tech, Anseong (Korea, Republic of); Yoon, Heesung [WCD Department of Energy Engineering, Hanyang University, Seoul (Korea, Republic of); Yi, Dong Kee, E-mail: vitalis@mju.ac.kr [Department of Chemistry, Myongji University, Yongin (Korea, Republic of); Paik, Ungyu, E-mail: upaik@hanyang.ac.kr [WCD Department of Energy Engineering, Hanyang University, Seoul (Korea, Republic of)

    2016-12-15

    Highlights: • We investigated the role of Ce oxidation state (Ce{sup 3+}/Ce{sup 4+}) on the CeO{sub 2} surfaces for the silicate adsorption. • As the Ce{sup 3+} concentration increased from 19.3 to 27.6%, the surface density of −OH group increased from 0.34 to 0.72 OH/nm{sup 2}. • The Freundlich constant for the relative adsorption capacity (K{sub F}) and adsorption intensity (1/n) indicated that CeO{sub 2} NPs with high Ce{sup 3+} concentration show higher adsorption affinity with silicate ions. - Abstract: In this study, we have investigated the role of the Ce oxidation state (Ce{sup 3+}/Ce{sup 4+}) on the CeO{sub 2} surfaces for silicate adsorption. In aqueous medium, the Ce{sup 3+} sites lead to the formation of −OH groups at the CeO{sub 2} surface through H{sub 2}O dissociation. Silicate ions can adsorb onto the CeO{sub 2} surface through interaction with the −OH groups (−Ce−OH− + −Si−O{sup −} ↔ −Ce−O−Si− + OH{sup −}). As the Ce{sup 3+} concentration increased from 19.3 to 27.6%, the surface density of −OH group increased from 0.34 to 0.72 OH/nm{sup 2}. To evaluate the adsorption behaviors of silicate ions onto CeO{sub 2} NPs, we carried out an adsorption isothermal analysis, and the adsorption isotherm data followed the Freundlich model. The Freundlich constant for the relative adsorption capacity (K{sub F}) and adsorption intensity (1/n) indicated that CeO{sub 2} NPs with high Ce{sup 3+} concentration show higher adsorption affinity with silicate ions. As a result, we have demonstrated that the Ce oxidation state (Ce{sup 3+}/Ce{sup 4+}) on the CeO{sub 2} surface can have a significant influence on the silicate adsorption.

  2. Multitechnique characterisation of 304L surface states oxidised at high temperature in steam and air atmospheres

    Energy Technology Data Exchange (ETDEWEB)

    Mamede, Anne-Sophie, E-mail: anne-sophie.mamede@ensc-lille.fr [University Lille, CNRS, ENSCL, Centrale Lille, University Artois, UMR 8181 – UCCS – Unité de Catalyse et Chimie du Solide, F-59000 Lille (France); Nuns, Nicolas, E-mail: nicolas.nuns@univ-lille1.fr [University Lille, CNRS, ENSCL, Centrale Lille, University Artois, UMR 8181 – UCCS – Unité de Catalyse et Chimie du Solide, F-59000 Lille (France); Cristol, Anne-Lise, E-mail: anne-lise.cristol@ec-lille.fr [University Lille, CNRS, Centrale Lille, Arts et Métiers Paris Tech, FRE 3723 – LML – Laboratoire de Mécanique de Lille, F-59000 Lille (France); Cantrel, Laurent, E-mail: laurent.cantrel@irsn.fr [Institut de Radioprotection et de Sûreté Nucléaire, PSN-RES, Cadarache, Saint Paul lez Durance, 13115 (France); Laboratoire de Recherche Commun IRSN-CNRS-Lille 1: «Cinétique Chimique, Combustion, Réactivité» (C3R), Cadarache, Saint Paul lez Durance, 13115 (France); Souvi, Sidi, E-mail: sidi.souvi@irsn.fr [Institut de Radioprotection et de Sûreté Nucléaire, PSN-RES, Cadarache, Saint Paul lez Durance, 13115 (France); Laboratoire de Recherche Commun IRSN-CNRS-Lille 1: «Cinétique Chimique, Combustion, Réactivité» (C3R), Cadarache, Saint Paul lez Durance, 13115 (France); and others

    2016-04-30

    Graphical abstract: - Highlights: • Mutitechnique characterisation of oxidised 304L. • Oxidation at high temperature under steam and air conditions of 304L stainless steel. • Chromium and manganese oxides formed in the outer layer. • Oxide profiles differ in air or steam atmosphere. - Abstract: 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. Fe{sub 2}O{sub 3} 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.

  3. Impact of dynamic vegetation phenology on the simulated pan-Arctic land surface state

    Science.gov (United States)

    Teufel, Bernardo; Sushama, Laxmi; Arora, Vivek K.; Verseghy, Diana

    2018-03-01

    The pan-Arctic land surface is undergoing rapid changes in a warming climate, with near-surface permafrost projected to degrade significantly during the twenty-first century. Vegetation-related feedbacks have the potential to influence the rate of degradation of permafrost. In this study, the impact of dynamic phenology on the pan-Arctic land surface state, particularly near-surface permafrost, for the 1961-2100 period, is assessed by comparing two simulations of the Canadian Land Surface Scheme (CLASS)—one with dynamic phenology, modelled using the Canadian Terrestrial Ecosystem Model (CTEM), and the other with prescribed phenology. These simulations are forced by atmospheric data from a transient climate change simulation of the 5th generation Canadian Regional Climate Model (CRCM5) for the Representative Concentration Pathway 8.5 (RCP8.5). Comparison of the CLASS coupled to CTEM simulation to available observational estimates of plant area index, spatial distribution of permafrost and active layer thickness suggests that the model captures reasonably well the overall distribution of vegetation and permafrost. It is shown that the most important impact of dynamic phenology on the land surface occurs through albedo and it is demonstrated for the first time that vegetation control on albedo during late spring and early summer has the highest potential to impact the degradation of permafrost. While both simulations show extensive near-surface permafrost degradation by the end of the twenty-first century, the strong projected response of vegetation to climate warming and increasing CO2 concentrations in the coupled simulation results in accelerated permafrost degradation in the northernmost continuous permafrost regions.

  4. Excited-state formation as H+ and He+ ions scatter from metal surfaces

    International Nuclear Information System (INIS)

    Baird, W.E.; Zivitz, M.; Thomas, E.W.

    1975-01-01

    Impact of 10-to30KeV H + or He + ions on polycrystalline metal surfaces causes some projectiles to be backscattered in a neutral excited state. These projectiles subsequently radiatively decay, emitting Doppler-broadened spectral lines. By analysis of the spectral shape of these lines, we are able to determine the probability of radiationless deexcitation of the excited backscattered atoms. Quantitative measurements of spectral intensity indicate that less than 1% of all projectiles are backscattered in an excited state. The relative variation of total spectral line intensity with angle of projectile incidence and with projectile primary energy has been successfully predicted using a model which assumes that the probability for excited-state formation is independent of the scattered projectile's energy and direction. The variation in total spectral line intensity with target atomic number is predicted, and the sputtering and excitation of Al under He + impact is briefly examined

  5. Growth and decay of surface charges in grafts of Teflon in electrets states

    International Nuclear Information System (INIS)

    Spinelli, I.M.M.

    1971-01-01

    The greatest problem founded in a cardiovascular implant is the thrombus formation. Teflon grafts were used in electret state for prothesis in vena cava of dogs. To put these grafts in an electret state a corona discharge in air was used and homocharge was formed predominantly. To measure the formed surface charge the oscillating capacitor technique was used. In the electret state the grafts have showed an initial density of charge of 10- 8 C/cm 2 and the charge decay and time decay of the samples were measured under many conditions. We found two activation energies, E 2 =0.17 e V and E 3 =1.12 e V, due to rapid and slow decay, respectively. The charged grafts were sterilized with ethilene gas oxide and this process apparently did not influence the charges

  6. Photochemistry of ethylene: A multireference configuration interaction investigation of the excited-state energy surfaces

    International Nuclear Information System (INIS)

    Barbatti, M.; Paier, J.; Lischka, H.

    2004-01-01

    Multireference configuration interaction with singles and doubles (MR-CISD) calculations have been performed for the optimization of conical intersections and stationary points on the ethylene excited-state energy surfaces using recently developed methods for the computation of analytic gradients and nonadiabatic coupling terms. Basis set dependence and the effect of various choices of reference spaces for the MR-CISD calculations have been investigated. The crossing seam between the S 0 and S 1 states has been explored in detail. This seam connects all conical intersections presently known for ethylene. Major emphasis has been laid on the hydrogen-migration path. Starting in the V state of twisted-orthogonal ethylene, a barrierless path to ethylidene was found. The feasibility of ethylidene formation will be important for the explanation of the relative yield of cis and trans H 2 elimination

  7. Adsorption-induced gap states of h-BN on metal surfaces

    Science.gov (United States)

    Preobrajenski, A. B.; Krasnikov, S. A.; Vinogradov, A. S.; Ng, May Ling; Käämbre, T.; Cafolla, A. A.; Mårtensson, N.

    2008-02-01

    The formation of hexagonal boron nitride (h-BN) monolayers on Ni(111), Rh(111), and Pt(111) has been studied by a combination of x-ray emission, angle-resolved valence band photoemission, and x-ray absorption in search for interface-induced gap states of h-BN . A significant density of both occupied and unoccupied gap states with N2p and B2p characters is observed for h-BN/Ni(111) , somewhat less for h-BN/Rh(111) and still less for h-BN/Pt(111) . X-ray emission shows that the h-BN monolayer is chemisorbed strongly on Ni(111) and very weakly on Pt(111). We associate the gap states of h-BN adsorbed on the transition metal surfaces with the orbital mixing and electron sharing at the interface because their density increases with the growing strength of chemisorption.

  8. Coupling a Surface Acoustic Wave to an Electron Spin in Diamond via a Dark State

    Directory of Open Access Journals (Sweden)

    D. Andrew Golter

    2016-12-01

    Full Text Available The emerging field of quantum acoustics explores interactions between acoustic waves and artificial atoms and their applications in quantum information processing. In this experimental study, we demonstrate the coupling between a surface acoustic wave (SAW and an electron spin in diamond by taking advantage of the strong strain coupling of the excited states of a nitrogen vacancy center while avoiding the short lifetime of these states. The SAW-spin coupling takes place through a Λ-type three-level system where two ground spin states couple to a common excited state through a phonon-assisted as well as a direct dipole optical transition. Both coherent population trapping and optically driven spin transitions have been realized. The coherent population trapping demonstrates the coupling between a SAW and an electron spin coherence through a dark state. The optically driven spin transitions, which resemble the sideband transitions in a trapped-ion system, can enable the quantum control of both spin and mechanical degrees of freedom and potentially a trapped-ion-like solid-state system for applications in quantum computing. These results establish an experimental platform for spin-based quantum acoustics, bridging the gap between spintronics and quantum acoustics.

  9. Charge state distributions from highly charged ions channeled at a metal surface

    International Nuclear Information System (INIS)

    Folkerts, L.; Meyer, F.W.; Schippers, S.

    1994-01-01

    The vast majority of the experimental work in the field of multicharged ion-surface interactions, to date, has focused on x-ray and particularly on electron emission. These experiments include measurements of the total electron yield, the emission statistics of the electrons, and, most of all, the electron energy distributions. So far, little attention has been paid to the fate of the multicharged projectile ions after the scattering. To our knowledge, the only measurement of the charge state distribution of the scattered ions is the pioneering experiment of de Zwart et al., who measured the total yield of scattered 1+, 2+, and 3+ ions as a function of the primary charge state q (q = 1--11) for 20 key Ne, Ar, and Kr ions after reflection from a polycrystalline tungsten target. Their main finding is the sudden onset of scattered 3+ ions when inner-shell vacancies are present in the primary particles. This suggests that a certain fraction of the inner-shell vacancies survives the entire collision event, and decays via autoionization on the outgoing path. Since the projectiles scattered in the neutral charge state could not be detected in the experiment of de Zwart et al., they were not able to provide absolute charge state fractions. In our present experiment, we focus on the scattered projectiles, measuring both the final charge state and the total scattering angle with a single 2D position sensitive detector (PSD). This method gives us the number of positive, as well as neutral and negative, scattered ions, thus allowing us to extract absolute charge state fractions. Using a well-prepared single Au(110) crystal and a grazing incidence geometry, we were able to observe surface channeling along the [001] channels

  10. Surface runoff and tile drainage transport of phosphorus in the midwestern United States.

    Science.gov (United States)

    Smith, Douglas R; King, Kevin W; Johnson, Laura; Francesconi, Wendy; Richards, Pete; Baker, Dave; Sharpley, Andrew N

    2015-03-01

    The midwestern United States offers some of the most productive agricultural soils in the world. Given the cool humid climate, much of the region would not be able to support agriculture without subsurface (tile) drainage because high water tables may damage crops and prevent machinery usage in fields at critical times. Although drainage is designed to remove excess soil water as quickly as possible, it can also rapidly transport agrochemicals, including phosphorus (P). This paper illustrates the potential importance of tile drainage for P transport throughout the midwestern United States. Surface runoff and tile drainage from fields in the St. Joseph River Watershed in northeastern Indiana have been monitored since 2008. Although the traditional concept of tile drainage has been that it slowly removes soil matrix flow, peak tile discharge occurred at the same time as peak surface runoff, which demonstrates a strong surface connection through macropore flow. On our research fields, 49% of soluble P and 48% of total P losses occurred via tile discharge. Edge-of-field soluble P and total P areal loads often exceeded watershed-scale areal loadings from the Maumee River, the primary source of nutrients to the western basin of Lake Erie, where algal blooms have been a pervasive problem for the last 10 yr. As farmers, researchers, and policymakers search for treatments to reduce P loading to surface waters, the present work demonstrates that treating only surface runoff may not be sufficient to reach the goal of 41% reduction in P loading for the Lake Erie Basin. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

  11. Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model.

    Science.gov (United States)

    Gozem, Samer; Huntress, Mark; Schapiro, Igor; Lindh, Roland; Granovsky, Alexander A; Angeli, Celestino; Olivucci, Massimo

    2012-11-13

    The ground state potential energy surface of the retinal chromophore of visual pigments (e.g., bovine rhodopsin) features a low-lying conical intersection surrounded by regions with variable charge-transfer and diradical electronic structures. This implies that dynamic electron correlation may have a large effect on the shape of the force fields driving its reactivity. To investigate this effect, we focus on mapping the potential energy for three paths located along the ground state CASSCF potential energy surface of the penta-2,4-dieniminium cation taken as a minimal model of the retinal chromophore. The first path spans the bond length alternation coordinate and intercepts a conical intersection point. The other two are minimum energy paths along two distinct but kinetically competitive thermal isomerization coordinates. We show that the effect of introducing the missing dynamic electron correlation variationally (with MRCISD) and perturbatively (with the CASPT2, NEVPT2, and XMCQDPT2 methods) leads, invariably, to a stabilization of the regions with charge transfer character and to a significant reshaping of the reference CASSCF potential energy surface and suggesting a change in the dominating isomerization mechanism. The possible impact of such a correction on the photoisomerization of the retinal chromophore is discussed.

  12. Interplay between surface and bulk states in the Topological Kondo Insulator SmB6

    Science.gov (United States)

    Biswas, Sangram; Hatnean, Monica Ciomaga; Balakrishnan, Geetha; Bid, Aveek

    Kondo insulator SmB6 is predicted to have topologically protected conducting surface states(TSS). We have studied electrical transport through surface states(SS) at ultra-low temperatures in single crystals of SmB6 using local-nonlocal transport scheme and found a large nonlocal signal at temperatures lower than bulk Kondo gap scale. Using resistance fluctuation spectroscopy, we probed the local and nonlocal transport channels and showed that at low temperatures, transport in this system takes place only through SS. The measured noise in this temperature range arises due to Universal Conductance Fluctuations whose statistics was found to be consistent with theoretical predictions for that of 2D systems in the Symplectic symmetry class. We studied the temperature dependence of noise and found that, unlike the topological insulators of the dichalcogenide family, the noise in surface and bulk conduction channels in SmB6 are uncorrelated - at sufficiently low temperatures, the bulk has no discernible contribution to electrical transport in SmB6 making it an ideal platform for probing the physics of TSS. Nanomission, Department of Science & Technology (DST) and Indian Institute of Scienc and EPSRC, UK, Grant EP/L014963/1.

  13. Anisotropic Surface State Mediated RKKY Interaction Between Adatoms on a Hexagonal Lattice

    Science.gov (United States)

    Einstein, Theodore; Patrone, Paul

    2012-02-01

    Motivated by recent numerical studies of Ag on Pt(111), we derive a far-field expression for the RKKY interaction mediated by surface states on a (111) FCC surface, considering the effect of anisotropy in the Fermi edge. The main contribution to the interaction comes from electrons whose Fermi velocity vF is parallel to the vector R connecting the interacting adatoms; we show that in general, the corresponding Fermi wave-vector kF is not parallel to R. The interaction is oscillatory; the amplitude and wavelength of oscillations have angular dependence arising from the anisotropy of the surface state band structure. The wavelength, in particular, is determined by the component of the aforementioned kF that is parallel to R. Our analysis is easily generalized to other systems. For Ag on Pt(111), our results indicate that the RKKY interaction between pairs of adatoms should be nearly isotropic and so cannot account for the anisotropy found in the studies motivating our work.

  14. Chemical state analysis of oxidation products on steel surface by conversion electron Moessbauer spectrometry

    International Nuclear Information System (INIS)

    Ujihira, Yusuke; Nomura, Kiyoshi

    1978-01-01

    The polished NT-70H steel (Fe: 95.97%, C: 0.56%, diameter: 5 cm, thickness: 0.5 cm) was immersed in deionized water or in solutions containing (0.25 -- 0.5) M of chloride, sulfate and nitrate ions. The chemical states of oxidation products of iron on the surface were identified through the analysis of conversion electron Moessbauer spectra (CEMS). CEMS of the steel surface, which had been dipped in deionized water, revealed that γ-FeOOH was formed on the surface. The thickness of γ-FeOOH layer increased with the increase of the duration of dipping. Dissolved oxygen in the solution played an essential role in the oxidation of iron to γ-FeOOH. Oxidation product of iron dipped in the 0.5 M sodium chloride solution was identified as γ-FeOOH. Amorphous paramagnetic iron (III) compound tended to form in the presence of hydrogen peroxide or ammonium ions in the solutions. The increase of alkalinity of the solution up to pH 12 suppressed the oxidation rate and assisted the formation of green rust, which was confirmed by the appearance of the quadrupole splitting peaks of the green rust. In the 0.25 M sodium sulfate solution, oxidation of the steel surface proceeded slowly and the quadrupole splitting peaks of Fe(OH) 2 were seen in the CEMS. The peak intensity of Fe(OH) 2 gradually decreased and that of γ-FeOOH increased by the extension of immersion of steel in the solution. Magnetite (Fe 3 O 4 ) layer was developed beneath the γ-FeOOH layer, when steel was dipped in 0.5 M sodium nitrate solution. However, the peaks of Fe 3 O 4 were not seen on CEMS of steel surface immersed in 0.5 M ammonium nitrate solution. Thus, applying the feasibility of CEMS for the characterization of oxidated compounds of iron on the steel surface formed by the immersion in solutions, the oxidation mechanism of the steel surface was discussed based upon the results of chemical state analyses. (author)

  15. Surface Andreev Bound States and Odd-Frequency Pairing in Topological Superconductor Junctions

    Science.gov (United States)

    Tanaka, Yukio; Tamura, Shun

    2018-04-01

    In this review, we summarize the achievement of the physics of surface Andreev bound states (SABS) up to now. The route of this activity has started from the physics of SABS of unconventional superconductors where the pair potential has a sign change on the Fermi surface. It has been established that SABS can be regarded as a topological edge state with topological invariant defined in the bulk Hamiltonian. On the other hand, SABS accompanies odd-frequency pairing like spin-triplet s-wave or spin-singlet p-wave. In a spin-triplet superconductor junction, induced odd-frequency pairing can penetrate into a diffusive normal metal (DN) attached to the superconductor. It causes so called anomalous proximity effect where the local density of states of quasiparticle in DN has a zero energy peak. When bulk pairing symmetry is spin-triplet px-wave, the anomalous proximity effect becomes prominent and the zero bias voltage conductance is always quantized independent of the resistance in DN and interface. Finally, we show that the present anomalous proximity effect is realized in an artificial topological superconducting system, where a nanowire with spin-orbit coupling and Zeeman field is put on the conventional spin-singlet s-wave superconductor.

  16. Bilinear magnetoelectric resistance as a probe of three-dimensional spin texture in topological surface states

    Science.gov (United States)

    He, Pan; Zhang, Steven S.-L.; Zhu, Dapeng; Liu, Yang; Wang, Yi; Yu, Jiawei; Vignale, Giovanni; Yang, Hyunsoo

    2018-05-01

    Surface states of three-dimensional topological insulators exhibit the phenomenon of spin-momentum locking, whereby the orientation of an electron spin is determined by its momentum. Probing the spin texture of these states is of critical importance for the realization of topological insulator devices, but the main technique currently available is spin- and angle-resolved photoemission spectroscopy. Here we reveal a close link between the spin texture and a new kind of magnetoresistance, which depends on the relative orientation of the current with respect to the magnetic field as well as the crystallographic axes, and scales linearly with both the applied electric and magnetic fields. This bilinear magnetoelectric resistance can be used to map the spin texture of topological surface states by simple transport measurements. For a prototypical Bi2Se3 single layer, we can map both the in-plane and out-of-plane components of the spin texture (the latter arising from hexagonal warping). Theoretical calculations suggest that the bilinear magnetoelectric resistance originates from conversion of a non-equilibrium spin current into a charge current under application of the external magnetic field.

  17. Generalized molybdenum oxide surface chemical state XPS determination via informed amorphous sample model

    Energy Technology Data Exchange (ETDEWEB)

    Baltrusaitis, Jonas, E-mail: job314@lehigh.edu [Department of Chemical Engineering, Lehigh University, B336 Iacocca Hall, 111 Research Drive, Bethlehem, PA 18015 (United States); PhotoCatalytic Synthesis group, MESA+ Institute for Nanotechnology, Faculty of Science and Technology, University of Twente, Meander 229, P.O. Box 217, 7500 AE Enschede (Netherlands); Mendoza-Sanchez, Beatriz [CRANN, Chemistry School, Trinity College Dublin, Dublin (Ireland); Fernandez, Vincent [Institut des Matériaux Jean Rouxel, 2 rue de la Houssinière, BP 32229, F-44322 Nantes Cedex 3 (France); Veenstra, Rick [PhotoCatalytic Synthesis group, MESA+ Institute for Nanotechnology, Faculty of Science and Technology, University of Twente, Meander 229, P.O. Box 217, 7500 AE Enschede (Netherlands); Dukstiene, Nijole [Department of Physical and Inorganic Chemistry, Kaunas University of Technology, Radvilenu pl. 19, LT-50254 Kaunas (Lithuania); Roberts, Adam [Kratos Analytical Ltd, Trafford Wharf Road, Wharfside, Manchester, M17 1GP (United Kingdom); Fairley, Neal [Casa Software Ltd, Bay House, 5 Grosvenor Terrace, Teignmouth, Devon TQ14 8NE (United Kingdom)

    2015-01-30

    Highlights: • We analyzed and modeled spectral envelopes of complex molybdenum oxides. • Molybdenum oxide films of varying valence and crystallinity were synthesized. • MoO{sub 3} and MoO{sub 2} line shapes from experimental data were created. • Informed amorphous sample model (IASM) developed. • Amorphous molybdenum oxide XPS envelopes were interpreted. - Abstract: Accurate elemental oxidation state determination for the outer surface of a complex material is of crucial importance in many science and engineering disciplines, including chemistry, fundamental and applied surface science, catalysis, semiconductors and many others. X-ray photoelectron spectroscopy (XPS) is the primary tool used for this purpose. The spectral data obtained, however, is often very complex and can be subject to incorrect interpretation. Unlike traditional XPS spectra fitting procedures using purely synthetic spectral components, here we develop and present an XPS data processing method based on vector analysis that allows creating XPS spectral components by incorporating key information, obtained experimentally. XPS spectral data, obtained from series of molybdenum oxide samples with varying oxidation states and degree of crystallinity, were processed using this method and the corresponding oxidation states present, as well as their relative distribution was elucidated. It was shown that monitoring the evolution of the chemistry and crystal structure of a molybdenum oxide sample due to an invasive X-ray probe could be used to infer solutions to complex spectral envelopes.

  18. Intrinsic two-dimensional states on the pristine surface of tellurium

    Science.gov (United States)

    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.

  19. Characterization of structures and surface states of the nanodiamond synthesized by detonation

    International Nuclear Information System (INIS)

    Zou, Q.; Li, Y.G.; Zou, L.H.; Wang, M.Z.

    2009-01-01

    Nanodiamond is a relatively new nanomaterial with broad prospects for application. In this paper, a variety of methods were used to analyze comprehensively the structures and the surface states of the nanodiamond synthesized by detonation, for example, X-ray diffraction (XRD) spectroscopy, energy diffraction spectroscopy (EDS), high resolution transmission electron microscopy (HRTEM), Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy (Raman) and differential scanning calorimeter (DSC). The results show that, the nanodiamond particles are spherical or elliptical in shape. The average grain size is approximately 5 nm. The surfaces of the nanodiamond contain hydroxy, carbonyl, carboxyl, ether-based resin, and other functional groups. The initial oxidation temperature of the nanodiamond in the air is about 550 deg. C, which is lower than that of the bulk diamond.

  20. Quenching of the surface-state-related photoluminescence in Ni-coated ZnO nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Tang Yang [Key Laboratory of Excited State Processes, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, 16 East Nan-Hu Road, Open Economic Zone, Changchun 130033 (China); Graduate School of the Chinese Academy of Sciences (China); Zhao Dongxu, E-mail: dxzhao2000@yahoo.com.c [Key Laboratory of Excited State Processes, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, 16 East Nan-Hu Road, Open Economic Zone, Changchun 130033 (China); Zhang Jiying; Shen Dezhen [Key Laboratory of Excited State Processes, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, 16 East Nan-Hu Road, Open Economic Zone, Changchun 130033 (China)

    2010-11-01

    Nickel-coated ZnO nanowires (NWs) were fabricated by electrodepositing Ni particles on ZnO NW arrays. The morphological, magnetic, and photoluminescent properties of the Ni-coated ZnO NWs were investigated. The Ni particles were deposited on the ZnO NWs' surface along its length to form a Ni/ZnO shell-core structure. The Ni-coated ZnO NWs exhibited more isotropic characteristic than the electrodeposited Ni films owing to the isotropic sphere structure of the Ni particles. A strong ultraviolet emission can be obtained from the Ni-coated ZnO NWs, while the green emission related to surface states was quenched by the passivated layer.

  1. Quenching of the surface-state-related photoluminescence in Ni-coated ZnO nanowires

    International Nuclear Information System (INIS)

    Tang Yang; Zhao Dongxu; Zhang Jiying; Shen Dezhen

    2010-01-01

    Nickel-coated ZnO nanowires (NWs) were fabricated by electrodepositing Ni particles on ZnO NW arrays. The morphological, magnetic, and photoluminescent properties of the Ni-coated ZnO NWs were investigated. The Ni particles were deposited on the ZnO NWs' surface along its length to form a Ni/ZnO shell-core structure. The Ni-coated ZnO NWs exhibited more isotropic characteristic than the electrodeposited Ni films owing to the isotropic sphere structure of the Ni particles. A strong ultraviolet emission can be obtained from the Ni-coated ZnO NWs, while the green emission related to surface states was quenched by the passivated layer.

  2. Photonic crystals possessing multiple Weyl points and the experimental observation of robust surface states

    Science.gov (United States)

    Chen, Wen-Jie; Xiao, Meng; Chan, C. T.

    2016-01-01

    Weyl points, as monopoles of Berry curvature in momentum space, have captured much attention recently in various branches of physics. Realizing topological materials that exhibit such nodal points is challenging and indeed, Weyl points have been found experimentally in transition metal arsenide and phosphide and gyroid photonic crystal whose structure is complex. If realizing even the simplest type of single Weyl nodes with a topological charge of 1 is difficult, then making a real crystal carrying higher topological charges may seem more challenging. Here we design, and fabricate using planar fabrication technology, a photonic crystal possessing single Weyl points (including type-II nodes) and multiple Weyl points with topological charges of 2 and 3. We characterize this photonic crystal and find nontrivial 2D bulk band gaps for a fixed kz and the associated surface modes. The robustness of these surface states against kz-preserving scattering is experimentally observed for the first time. PMID:27703140

  3. Characterization of structures and surface states of the nanodiamond synthesized by detonation

    Energy Technology Data Exchange (ETDEWEB)

    Zou, Q., E-mail: zq@ysu.edu.cn [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, Hebei (China); Li, Y.G.; Zou, L.H.; Wang, M.Z. [State Key Laboratory of Metastable Materials Science and Technology, Yanshan University, Qinhuangdao 066004, Hebei (China)

    2009-11-15

    Nanodiamond is a relatively new nanomaterial with broad prospects for application. In this paper, a variety of methods were used to analyze comprehensively the structures and the surface states of the nanodiamond synthesized by detonation, for example, X-ray diffraction (XRD) spectroscopy, energy diffraction spectroscopy (EDS), high resolution transmission electron microscopy (HRTEM), Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy (Raman) and differential scanning calorimeter (DSC). The results show that, the nanodiamond particles are spherical or elliptical in shape. The average grain size is approximately 5 nm. The surfaces of the nanodiamond contain hydroxy, carbonyl, carboxyl, ether-based resin, and other functional groups. The initial oxidation temperature of the nanodiamond in the air is about 550 deg. C, which is lower than that of the bulk diamond.

  4. Surface hopping, transition state theory, and decoherence. II. Thermal rate constants and detailed balance

    Energy Technology Data Exchange (ETDEWEB)

    Jain, Amber; Subotnik, Joseph E., E-mail: subotnik@sas.upenn.edu [Department of Chemistry, University of Pennsylvania, 231 South 34th Street, Philadelphia, Pennsylvania 19104 (United States)

    2015-10-07

    We investigate a simple approach to compute a non-adiabatic thermal rate constant using the fewest switches surface hopping (FSSH) dynamics. We study the effects of both decoherence (using our augmented-FSSH (A-FSSH) algorithm) and forbidden hops over a large range of parameters, including high and low friction regimes, and weak and strong electronic coupling regimes. Furthermore, when possible, we benchmark our results against exact hierarchy equations of motion results, where we usually find a maximum error of roughly a factor of two (at reasonably large temperatures). In agreement with Hammes-Schiffer and Tully, we find that a merger of transition state theory and surface hopping can be both accurate and efficient when performed correctly. We further show that detailed balance is followed approximately by A-FSSH dynamics.

  5. Characterization of size, surface charge, and agglomeration state of nanoparticle dispersions for toxicological studies

    International Nuclear Information System (INIS)

    Jiang Jingkun; Oberdoerster, Guenter; Biswas, Pratim

    2009-01-01

    Characterizing the state of nanoparticles (such as size, surface charge, and degree of agglomeration) in aqueous suspensions and understanding the parameters that affect this state are imperative for toxicity investigations. In this study, the role of important factors such as solution ionic strength, pH, and particle surface chemistry that control nanoparticle dispersion was examined. The size and zeta potential of four TiO 2 and three quantum dot samples dispersed in different solutions (including one physiological medium) were characterized. For 15 nm TiO 2 dispersions, the increase of ionic strength from 0.001 M to 0.1 M led to a 50-fold increase in the hydrodynamic diameter, and the variation of pH resulted in significant change of particle surface charge and the hydrodynamic size. It was shown that both adsorbing multiply charged ions (e.g., pyrophosphate ions) onto the TiO 2 nanoparticle surface and coating quantum dot nanocrystals with polymers (e.g., polyethylene glycol) suppressed agglomeration and stabilized the dispersions. DLVO theory was used to qualitatively understand nanoparticle dispersion stability. A methodology using different ultrasonication techniques (bath and probe) was developed to distinguish agglomerates from aggregates (strong bonds), and to estimate the extent of particle agglomeration. Probe ultrasonication performed better than bath ultrasonication in dispersing TiO 2 agglomerates when the stabilizing agent sodium pyrophosphate was used. Commercially available Degussa P25 and in-house synthesized TiO 2 nanoparticles were used to demonstrate identification of aggregated and agglomerated samples.

  6. Effect of gamma-ray irradiation on the surface states of MOS tunnel junctions

    Science.gov (United States)

    Ma, T. P.; Barker, R. C.

    1974-01-01

    Gamma-ray irradiation with doses up to 8 megarad produces no significant change on either the C(V) or the G(V) characteristics of MOS tunnel junctions with intermediate oxide thicknesses (40-60 A), whereas the expected flat-band shift toward negative electrode voltages occurs in control thick oxide capacitors. A simple tunneling model would explain the results if the radiation-generated hole traps are assumed to lie below the valence band of the silicon. The experiments also suggest that the observed radiation-generated interface states in conventional MOS devices are not due to the radiation damage of the silicon surface.

  7. Dynamic tunneling force microscopy for characterizing electronic trap states in non-conductive surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Wang, R.; Williams, C. C., E-mail: clayton@physics.utah.edu [Department of Physics and Astronomy, University of Utah, Salt Lake City, Utah 84112 (United States)

    2015-09-15

    Dynamic tunneling force microscopy (DTFM) is a scanning probe technique for real space mapping and characterization of individual electronic trap states in non-conductive films with atomic scale spatial resolution. The method is based upon the quantum mechanical tunneling of a single electron back and forth between a metallic atomic force microscopy tip and individual trap states in completely non-conducting surface. This single electron shuttling is measured by detecting the electrostatic force induced on the probe tip at the shuttling frequency. In this paper, the physical basis for the DTFM method is unfolded through a physical model and a derivation of the dynamic tunneling signal as a function of several experimental parameters is shown. Experimental data are compared with the theoretical simulations, showing quantitative consistency and verifying the physical model used. The experimental system is described and representative imaging results are shown.

  8. Systematic study of transport via surface and bulk states in Bi2Te3 topological insulator

    Science.gov (United States)

    de Castro, S.; Peres, M. L.; Chitta, V. A.; Gratens, X.; Soares, D. A. W.; Fornari, C. I.; Rappl, P. H. O.; Abramof, E.; Oliveira, N. F., Jr.

    2016-07-01

    We performed magnetoresistance measurements on Bi2Te3 thin film in the temperature range of T = 1.2-4.0 K and for magnetic fields up to 2 T. The curves exhibited anomalous behavior for temperatures below 4.0 K. Different temperature intervals revealed electrical transport through different conductive channels with clear signatures of weak antilocalization. The magnetoresistance curves were explained using the Hikami-Larkin-Nagaoka model and the 2D Dirac modified model. The comparison between the parameters obtained from the two models revealed the transport via topological surface states and bulk states. In addition, a superconductive like transition is observed for the lowest temperatures and we suggest that this effect can be originated from the misfit dislocations caused by strain, giving rise to a superconductive channel between the interface of the film and the substrate.

  9. Ultrafast Optical Excitation of a Persistent Surface-State Population in the Topological Insulator Bi2Se3

    Energy Technology Data Exchange (ETDEWEB)

    Sobota, Jonathan

    2012-03-14

    Using femtosecond time- and angle-resolved photoemission spectroscopy, we investigated the nonequilibrium dynamics of the topological insulator Bi{sub 2}Se{sub 3}. We studied p-type Bi{sub 2}Se{sub 3}, in which the metallic Dirac surface state and bulk conduction bands are unoccupied. Optical excitation leads to a meta-stable population at the bulk conduction band edge, which feeds a nonequilibrium population of the surface state persisting for >10 ps. This unusually long-lived population of a metallic Dirac surface state with spin texture may present a channel in which to drive transient spin-polarized currents.

  10. On-Demand Final State Control of a Surface-Bound Bistable Single Molecule Switch.

    Science.gov (United States)

    Garrido Torres, José A; Simpson, Grant J; Adams, Christopher J; Früchtl, Herbert A; Schaub, Renald

    2018-04-12

    Modern electronic devices perform their defined action because of the complete reliability of their individual active components (transistors, switches, diodes, and so forth). For instance, to encode basic computer units (bits) an electrical switch can be used. The reliability of the switch ensures that the desired outcome (the component's final state, 0 or 1) can be selected with certainty. No practical data storage device would otherwise exist. This reliability criterion will necessarily need to hold true for future molecular electronics to have the opportunity to emerge as a viable miniaturization alternative to our current silicon-based technology. Molecular electronics target the use of single-molecules to perform the actions of individual electronic components. On-demand final state control over a bistable unimolecular component has therefore been one of the main challenges in the past decade (1-5) but has yet to be achieved. In this Letter, we demonstrate how control of the final state of a surface-supported bistable single molecule switch can be realized. On the basis of the observations and deductions presented here, we further suggest an alternative strategy to achieve final state control in unimolecular bistable switches.

  11. A critical assessment of theoretical methods for finding reaction pathways and transition states of surface processes

    International Nuclear Information System (INIS)

    Klimes, JirI; Michaelides, Angelos; Bowler, David R

    2010-01-01

    The performance of a variety of techniques for locating transition states on potential energy surfaces is evaluated within the density functional theory framework. Diffusion of a water molecule across NaCl(001) and HCl bond breaking on the same surface are treated as general test cases; the former is an example of a low barrier diffusion process and the latter an example of a relatively high barrier covalent bond rupture event. The methods considered include the nudged elastic band (NEB), Dewar, Healy and Stewart (DHS), dimer, constrained optimization (CO), activation-relaxation technique (ART) and one-side growing string (OGS) as well as novel combinations of the DHS with growing string (DHS + GS) and DHS plus climbing image (CI-DHS). A key conclusion to come from this study is that the NEB method is relatively fast, especially when just a single (climbing) image is used. Indeed, using more images represents an unnecessary computational burden for our set of processes. The dimer method exhibits variable performance; being poor for the water diffusion processes, which have small activation energies, but much more efficient for the HCl bond breaking process which has a higher barrier. When only a poor initial guess of the transition state geometry is available, the CI-DHS scheme is one of the most efficient techniques considered. And as a means to quickly establish an approximate minimum energy pathway the DHS + GS scheme offers some potential.

  12. Surface State Dynamics of Topological Insulators Investigated by Femtosecond Time- and Angle-Resolved Photoemission Spectroscopy

    Directory of Open Access Journals (Sweden)

    Hamoon Hedayat

    2018-04-01

    Full Text Available Topological insulators (TI are known for striking quantum phenomena associated with their spin-polarized topological surface state (TSS. The latter in particular forms a Dirac cone that bridges the energy gap between valence and conduction bands, providing a unique opportunity for prospective device applications. In TI of the BixSb2−xTeySe3−y (BSTS family, stoichiometry determines the morphology and position of the Dirac cone with respect to the Fermi level. In order to engineer specific transport properties, a careful tuning of the TSS is highly desired. Therefore, we have systematically explored BSTS samples with different stoichiometries by time- and angle-resolved photoemission spectroscopy (TARPES. This technique provides snapshots of the electronic structure and discloses the carrier dynamics in surface and bulk states, providing crucial information for the design of electro-spin current devices. Our results reveal the central role of doping level on the Dirac cone structure and its femtosecond dynamics. In particular, an extraordinarily long TSS lifetime is observed when the the vertex of the Dirac cone lies at the Fermi level.

  13. Re-dispersion of alumina particles in water: influence of the surface state

    International Nuclear Information System (INIS)

    Desset, Sabine

    1999-01-01

    The aim of this work was to determine the mechanisms by which suspensions of alpha alumina particles may be dried and then re-dispersed spontaneously in water. To get reproducible results, we designed appropriate protocols: (i) for preparing the surface state, and for generating controlled interparticle contacts (presence of water or complexing agents); (ii) for measuring the amount of re-dispersed material with a proper averaging over all interparticle bonds (turbidity). These results show that there are thresholds, determined by the conditions of drying and re-dispersion, where all the powder goes from the aggregated state to the dispersed state. With hydrated powders, it was found that mild changes in the chemical conditions (pH) and application of very weak mechanical forces (sedimentation) were enough to cause significant change in re-dispersion. According to these thresholds, a re-dispersion mechanism could be identified. Re-dispersion is ruled, indeed, by a balance of forces and the displacement of the re-dispersion thresholds indicates a shift in the balance of forces. These forces are the well-known forces that control colloidal stability: van der Waals attraction, electrostatic repulsion and hydration forces. We found that hydration acts as a repulsive wall corresponding to one or two monolayers of water on each surface and depends on the Relative Humidity of drying. We also found that electrostatic repulsions at short separations are much weaker than the predictions based on the Poisson Boltzmann equation, but should be modelled according to the triple layer model. Repulsions to be considered are those calculated with the screened charges of the particles. Another aim of this work was to facilitate re-dispersion by using complexing agents that bind to the surfaces and add a steric repulsion We have found that molecules with carboxylic and hydroxyl groups can be efficient in this respect, if they are bound to surfaces before aggregation, if they are not

  14. Re-dispersion of alumina particles in water: influence of the surface state

    International Nuclear Information System (INIS)

    Desset, Sabine

    1999-01-01

    The aim of this work was to determine the mechanisms by which suspensions of alpha alumina particles may be dried and then re-dispersed spontaneously in water. To get reproducible results, we designed appropriate protocols: (i) for preparing the surface state, and for generating controlled interparticle contacts (presence of water or complexing agents); (ii) for measuring the amount of re-dispersed material with a proper averaging over all interparticle bonds (turbidity). These results show that there are thresholds, determined by the conditions of drying and re-dispersion, where all the powder goes from the aggregated state to the dispersed state. With hydrated powders, it was found that mild changes in the chemical conditions (pH) and application of very weak mechanical forces (sedimentation) were enough to cause significant change in re-dispersion. According to these thresholds, a re-dispersion mechanism could be identified. Re-dispersion is ruled, indeed, by a balance of forces and the displacement of the re-dispersion thresholds indicates a shift in the balance of forces. These forces are the well known forces that control colloidal stability: van der Waals attraction, electrostatic repulsion and hydration forces. We found that hydration acts as a repulsive wall corresponding to one or two monolayers of water on each surface and depends on the Relative Humidity of drying. We also found that electrostatic repulsions at short separations are much weaker than the predictions based on the Poisson Boltzmann equation, but should be modelled according to the triple layer model. Repulsions to be considered are those calculated with the screened charges of the particles. Another aim of this work was to facilitate re-dispersion by using complexing agents that bind to the surfaces and add a steric repulsion We have found that molecules with carboxylic and hydroxyl groups can be efficient in this respect, if they are bound to surfaces before aggregation, if they are not

  15. Modulation of electromagnetic local density of states by coupling of surface phonon-polariton

    Science.gov (United States)

    Li, Yao; Zhang, Chao-Jie; Wang, Tong-Biao; Liu, Jiang-Tao; Yu, Tian-Bao; Liao, Qing-Hua; Liu, Nian-Hua

    2017-02-01

    We studied the electromagnetic local density of state (EM-LDOS) near the surface of a one-dimensional multilayer structure (1DMS) alternately stacked by SiC and Si. EM-LDOS of a semi-infinite bulk appears two intrinsic peaks due to the resonance of surface phonon-polariton (SPhP) in SiC. In contrast with that of SiC bulk, SPhP can exist at the interface of SiC and Si for the 1DMS. The SPhPs from different interfaces can couple together, which can lead to a significant modulation of EM-LDOS. When the component widths of 1DMS are large, the spectrum of EM-LDOS exhibits oscillation behavior in the frequency regime larger than the resonance frequency of SPhP. While the component widths are small, due to the strong coupling of SPhPs, another peak appears in the EM-LDOS spectrum besides the two intrinsic ones. And the position of the new peak move toward high frequency when the width ratio of SiC and Si increases. The influences of distance from the surfaces and period of 1DMS on EM-LDOS have also been studied in detail. The results are helpful in studying the near-field radiative heat transfer and spontaneous emission.

  16. Mechanisms Controlling Global Mean Sea Surface Temperature Determined From a State Estimate

    Science.gov (United States)

    Ponte, R. M.; Piecuch, C. G.

    2018-04-01

    Global mean sea surface temperature (T¯) is a variable of primary interest in studies of climate variability and change. The temporal evolution of T¯ can be influenced by surface heat fluxes (F¯) and by diffusion (D¯) and advection (A¯) processes internal to the ocean, but quantifying the contribution of these different factors from data alone is prone to substantial uncertainties. Here we derive a closed T¯ budget for the period 1993-2015 based on a global ocean state estimate, which is an exact solution of a general circulation model constrained to most extant ocean observations through advanced optimization methods. The estimated average temperature of the top (10-m thick) level in the model, taken to represent T¯, shows relatively small variability at most time scales compared to F¯, D¯, or A¯, reflecting the tendency for largely balancing effects from all the latter terms. The seasonal cycle in T¯ is mostly determined by small imbalances between F¯ and D¯, with negligible contributions from A¯. While D¯ seems to simply damp F¯ at the annual period, a different dynamical role for D¯ at semiannual period is suggested by it being larger than F¯. At periods longer than annual, A¯ contributes importantly to T¯ variability, pointing to the direct influence of the variable ocean circulation on T¯ and mean surface climate.

  17. Electronic excited states as a probe of surface adsorbate structure and dynamics in liquid xenon

    Energy Technology Data Exchange (ETDEWEB)

    Peterson, E.S.

    1992-08-01

    A combination of second harmonic generation (SHG) and a simple dipole-dipole interaction model is presented as a new technique for determining adsorbate geometries on surfaces. The polarization dependence of SHG is used to define possible geometries of the adsorbate about the surface normal. Absorption band shifts using geometry constraints imposed by SHG data are derived for a dimer constructed from two arbitrarily placed monomers on the surface using the dipole-dipole interaction potential. These formulae can be used to determine the orientation of the two monomers relative to each other. A simplified version of this formalism is used to interpret absorption band shifts for rhodamine B adsorbed on fused silica. A brief history of the exciton is given with particular detail to Xe. Data are presented for transient absorption at RT in liquid xenon on the picosecond time scale. These are observations of both tunneling through the barrier that separates the free and trapped exciton states and the subsequent trapping of the exciton. In high densities both of these processes are found to occur within 2 to 6 picoseconds in agreement with theories of Kmiecik and Schreiber and of Martin. A threshold density is observed that separates relaxation via single binary collisions and relaxation that proceeds via Martin's resonant energy transfer hopping mechanism.

  18. Electronic excited states as a probe of surface adsorbate structure and dynamics in liquid xenon

    Energy Technology Data Exchange (ETDEWEB)

    Peterson, Eric Scott [Univ. of California, Berkeley, CA (United States)

    1992-08-01

    A combination of second harmonic generation (SHG) and a simple dipole-dipole interaction model is presented as a new technique for determining adsorbate geometries on surfaces. The polarization dependence of SHG is used to define possible geometries of the adsorbate about the surface normal. Absorption band shifts using geometry constraints imposed by SHG data are derived for a dimer constructed from two arbitrarily placed monomers on the surface using the dipole-dipole interaction potential. These formulae can be used to determine the orientation of the two monomers relative to each other. A simplified version of this formalism is used to interpret absorption band shifts for rhodamine B adsorbed on fused silica. A brief history of the exciton is given with particular detail to Xe. Data are presented for transient absorption at RT in liquid xenon on the picosecond time scale. These are observations of both tunneling through the barrier that separates the free and trapped exciton states and the subsequent trapping of the exciton. In high densities both of these processes are found to occur within 2 to 6 picoseconds in agreement with theories of Kmiecik and Schreiber and of Martin. A threshold density is observed that separates relaxation via single binary collisions and relaxation that proceeds via Martin`s resonant energy transfer hopping mechanism.

  19. The behavior of surface tension on steady-state rotating fluids in the low gravity environments

    Science.gov (United States)

    Hung, R. J.; Leslie, Fred W.

    1987-01-01

    The effect of surface tension on steady-state rotating fluids in a low gravity environment is studied. All the values of the physical parameters used in these calculations, except in the low gravity environments, are based on the measurements carried out by Leslie (1985) in the low gravity environment of a free-falling aircraft. The profile of the interface of two fluids is derived from Laplace's equation relating the pressure drop across an interface to the radii of curvature which has been applied to a low gravity rotating bubble that contacts the container boundary. The interface shape depends on the ratio of gravity to surface tension forces, the ratio of centrifugal to surface tension forces, the contact radius of the interface to the boundary, and the contact angle. The shape of the bubble is symmetric about its equator in a zero-gravity environment. This symmetry disappears and gradually shifts to parabolic profiles as the gravity environment becomes non-zero. The location of the maximum radius of the bubble moves upward from the center of the depth toward the top boundary of the cylinder as gravity increases. The contact radius of interface to the boundary r0 at the top side of cylinder increases and r0 at the bottom side of the cylinder decreases as the gravity environment increases from zero to 1 g.

  20. Surface-state mediated three-adsorbate interaction: exact and numerical results and simple asymptotic expression

    International Nuclear Information System (INIS)

    Hyldgaard, Per; Einstein, T.L.

    2003-01-01

    The interaction energy of three adsorbates on a surface consists of the sum of the three-pair interactions plus a trio contribution produced primarily by interference of electrons which traverse the entire perimeter, d 123 , of the three-adsorbate cluster. Here, we investigate this three-adatom interaction when mediated by the isotropic Shockley surface-state band found on noble-metal (1 1 1) surfaces, extending work on pair interactions. Our experimentally testable result depends on the s-wave phase-shift, characterizing the standing-wave patterns seen in scanning-tunneling microscopy (STM) images. Compared with the adsorbate-pair interactions, and in contrast to bulk-mediated interactions, the trio contribution exhibits a slightly weaker amplitude and a slightly faster asymptotic envelope decay, d 123 -5/2 . It also has a different but well-defined oscillation period dependent on d 123 and little dependence on the shape of the cluster. We finally compare the asymptotic description with exact model calculations assuming short-range interactions, which are viable even in the non-asymptotic range (when not outweighed by bulk-mediated interactions)

  1. Topological states in a two-dimensional metal alloy in Si surface: BiAg/Si(111)-4 ×4 surface

    Science.gov (United States)

    Zhang, Xiaoming; Cui, Bin; Zhao, Mingwen; Liu, Feng

    2018-02-01

    A bridging topological state with a conventional semiconductor platform offers an attractive route towards future spintronics and quantum device applications. Here, based on first-principles and tight-binding calculations, we demonstrate the existence of topological states hosted by a two-dimensional (2D) metal alloy in a Si surface, the BiAg/Si(111)-4 ×4 surface, which has already been synthesized experimentally. It exhibits a topological insulating state with an energy gap of 71 meV (˜819 K ) above the Fermi level and a topological metallic state with quasiquantized conductance below the Fermi level. The underlying mechanism leading to the formation of such nontrivial states is revealed by analysis of the "charge-transfer" and "orbital-filtering" effect of the Si substrate. A minimal effective tight-binding model is employed to reveal the formation mechanism of the topological states. Our finding opens opportunities to detect topological states and measure its quantized conductance in a large family of 2D surface metal alloys, which have been or are to be grown on semiconductor substrates.

  2. Evidence of a 2D Fermi surface due to surface states in a p-type metallic Bi2Te3

    Science.gov (United States)

    Shrestha, K.; Marinova, V.; Lorenz, B.; Chu, C. W.

    2018-05-01

    We present a systematic quantum oscillations study on a metallic, p-type Bi2Te3 topological single crystal in magnetic fields up to B  =  7 T. The maxima/minima positions of oscillations measured at different tilt angles align to one another when plotted as a function of the normal component of magnetic field, confirming the presence of the 2D Fermi surface. Additionally, the Berry phase, β  =  0.4  ±  0.05 obtained from the Landau level fan plot, is very close to the theoretical value of 0.5 for the Dirac particles, confirming the presence of topological surface states in the Bi2Te3 single crystal. Using the Lifshitz–Kosevich analyses, the Fermi energy is estimated to be meV, which is lower than that of other bismuth-based topological systems. The detection of surface states in the Bi2Te3 crystal can be explained by our previous hypothesis of the lower position of the Fermi surface that cuts the ‘M’-shaped valence band maxima. As a result, the bulk state frequency is shifted to higher magnetic fields, which allows measurement of the surface states signal at low magnetic fields.

  3. Focus State Roadway Departure Safety Plans and High Friction Surface Treatments Peer Exchange : an RPSCB Peer Exchange

    Science.gov (United States)

    2014-08-01

    This report summarizes the Focus State Roadway Departure Safety Plans and High Friction Surface Treatments Peer Exchange, held in Birmingham, Alabama, sponsored by the Federal Highway Administration (FHWA) Office of Safetys Roadway Safety Professi...

  4. Soils Developed on Geomorphic Surfaces in the Mountain Region of the State of Rio de Janeiro

    Directory of Open Access Journals (Sweden)

    Ademir Fontana

    2018-01-01

    Full Text Available ABSTRACT: The evaluation of soils in representative landscapes constitutes an opportunity to evaluate spatial distribution, discuss formation processes, and apply this knowledge to land use and management. In this sense, from the perspective of an environmentally diversified region, the aim of the present study is to evaluate the occurrence and understand the formation of soils in different geomorphic surfaces of a landscape from a mountain region in the state of Rio de Janeiro. The study was developed in the Pito Aceso microbasin in the municipality of Bom Jardim, composed of narrow valleys and a rugged mountain domain, with elevation between 640 and 1,270 m. In a representative landscape, the geomorphic surfaces were obtained from the slope segments and flow lines. On the geomorphic surfaces, soil profiles were described by their morphological properties, collected, and analyzed to describe the chemical and physical properties of each horizon. Geomorphological aspects and possible variations of the parent material directly affected pedogenesis and led to distinct soil classes in the landscape. Variation in the geomorphic surfaces directs the processes for soil formation under current conditions, as well as the preservation of polygenetic soils. Soils of lower development and with greater participation of the exchangeable cations were identified at the summit (talus deposit (Neossolo Litólico and Cambissolo Húmico and toeslope (colluvial-alluvial (Neossolo Flúvico, whereas more developed soils with lower nutrient content occur in the concave (Argissolos Vermelho and Amarelo and convex (Latossolo Amarelo backslope, except for the Argissolo Vermelho-Amarelo in the shoulder, which had high exchangeable cations contents.

  5. Mapping Precipitation Patterns from the Stable Isotopic Composition of Surface Waters: Olympic Peninsula, Washington State

    Science.gov (United States)

    Anders, A. M.; Brandon, M. T.

    2008-12-01

    Available data indicate that large and persistent precipitation gradients are tied to topography at scales down to a few kilometers, but precipitation patterns in the majority of mountain ranges are poorly constrained at scales less than tens of kilometers. A lack of knowledge of precipitation patterns hampers efforts to understand the processes of orographic precipitation and identify the relationships between geomorphic evolution and climate. A new method for mapping precipitation using the stable isotopic composition of surface waters is tested in the Olympic Mountains of Washington State. Measured δD and δ18O of 97 samples of surface water are linearly related and nearly inseparable from the global meteoric water line. A linear orographic precipitation model extended to include in effects of isotopic fractionation via Rayleigh distillation predicts precipitation patterns and isotopic composition of surface water. Seven parameters relating to the climate and isotopic composition of source water are used. A constrained random search identifies the best-fitting parameter set. Confidence intervals for parameter values are defined and precipitation patterns are determined. Average errors for the best-fitting model are 4.8 permil in δD. The difference between the best fitting model and other models within the 95% confidence interval was less than 20%. An independent high-resolution precipitation climatology documents precipitation gradients similar in shape and magnitude to the model derived from surface water isotopic composition. This technique could be extended to other mountain ranges, providing an economical and fast assessment of precipitation patterns requiring minimal field work.

  6. Springtime high surface ozone events over the western United States: Quantifying the role of stratospheric intrusions

    Science.gov (United States)

    Fiore, A. M.; Lin, M.; Cooper, O. R.; Horowitz, L. W.; Naik, V.; Levy, H.; Langford, A. O.; Johnson, B. J.; Oltmans, S. J.; Senff, C. J.

    2011-12-01

    As the National Ambient Air Quality (NAAQS) standard for ozone (O_{3}) is lowered, it pushes closer to policy-relevant background levels (O_{3} concentrations that would exist in the absence of North American anthropogenic emissions), making attainment more difficult with local controls. We quantify the Asian and stratospheric components of this North American background, with a primary focus on the western United States. Prior work has identified this region as a hotspot for deep stratospheric intrusions in spring. We conduct global simulations at 200 km and 50 km horizontal resolution with the GFDL AM3 model, including a stratospheric O_{3} tracer and two sensitivity simulations with anthropogenic emissions from Asia and North America turned off. The model is evaluated with a suite of in situ and satellite measurements during the NOAA CalNex campaign (May-June 2010). The model reproduces the principle features in the observed surface to near tropopause distribution of O_{3} along the California coast, including its latitudinal variation and the development of regional high-O_{3} episodes. Four deep tropopause folds are diagnosed and we find that the remnants of these stratospheric intrusions are transported to the surface of Southern California and Western U.S. Rocky Mountains, contributing 10-30 ppbv positive anomalies relative to the simulated campaign mean stratospheric component in the model surface layer. We further examine the contribution of North American background, including its stratospheric and Asian components, to the entire distribution of observed MDA8 O_{3} at 12 high-elevation CASTNet sites in the Mountain West. We find that the stratospheric O_{3} tracer constitutes 50% of the North American background, and can enhance surface maximum daily 8-hour average (MDA8) O_{3} by 20 ppb when observed surface O_{3} is in the range of 60-80 ppbv. Our analysis highlights the potential for natural sources such as deep stratospheric intrusions to contribute

  7. A summary of fish and wildlife information needs to surface mine coal in the United States. Part 2. The status of state surface mining regulations as of January 1980 and the fish and wildlife information needs. Final report

    Energy Technology Data Exchange (ETDEWEB)

    1980-01-01

    This is part 2 of a three part series to assist government agencies and private citizens in determining fish and wildlife information needs for new coal mining operations pursuant to the Surface Mining Control and Reclamation Act of 1977. This portion documents the status of individual state surface mining regulations as of January 1980 in those states having significant strippable reserves and/or active strip mining operations. It also provides documentation of fish and wildlife information needs identified in the state regulations of compliance to PL 95-87.

  8. A Modified Critical State Two-surface Plasticity Model for Sand

    DEFF Research Database (Denmark)

    Bakmar, Christian LeBlanc; Hededal, O.; Ibsen, Lars Bo

    This paper provides background information and documentation for the implementation of a robust plasticity model as a user-subroutine in the commercial finite difference code, FLAC3D by Itasca. The plasticity model presented is equal to the 3 dimensional critical state two-surface plasticity model...... volumetric and stress-strain behaviour under monotonic and cyclic loading and thereby related observations like accumulation of pore pressure, cyclic mobility and cyclic liquefaction. The plasticity model is implemented with an integration scheme based on the general return mapping algorithm. The integration...... scheme faces convergence difficulties, primarily at very low mean effective stresses. The convergence problems are addressed by suitable correction strategies designed to add robustness, stability and efficiency to the integration scheme. An outline of all model parameters is given with suggestions...

  9. Changes in the surface electronic states of semiconductor fine particles induced by high energy ion irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Yamaki, Tetsuya; Asai, Keisuke; Ishigure, Kenkichi [Tokyo Univ. (Japan); Shibata, Hiromi

    1997-03-01

    The changes in the surface electronic states of Q-sized semiconductor particles in Langmuir-Blodgett (LB) films, induced by high energy ion irradiation, were examined by observation of ion induced emission and photoluminescence (PL). Various emission bands attributed to different defect sites in the band gap were observed at the initial irradiation stage. As the dose increased, the emissions via the trapping sites decreased in intensity while the band-edge emission developed. This suggests that the ion irradiation would remove almost all the trapping sites in the band gap. The low energy emissions, which show a multiexponential decay, were due to a donor-acceptor recombination between the deeply trapped carriers. It was found that the processes of formation, reaction, and stabilization of the trapping sites would predominantly occur under the photooxidizing conditions. (author)

  10. Oxidation-state distribution of plutonium in surface and subsurface waters at Thule, northwest Greenland

    DEFF Research Database (Denmark)

    McMahon, C.A.; Vintró, L.L.; Mitchell, P.I.

    2000-01-01

    (V, VI) (mean, 68 +/- 6%; n = 6), with little if any distinction apparent between surface and bottom waters. Further, the oxidation state distribution at stations close to the accident site is similar to that measured at Upernavik, remote from this site. It is also similar to the distribution observed...... in shelf waters at midlatitudes, suggesting that the underlying processes controlling plutonium speciation are insensitive to temperature over the range 0-25 degrees C. Measurements using tangential-flow ultrafiltration indicate that virtually all of the plutonium (including the fraction in a reduced...... chemical form) is present as fully dissolved species. Most of this plutonium would seem to be of weapons fallout origin, as the mean Pu-238/Pu-239,Pu-240 activity ratio in the water column (dissolved phase) at Thule (0.06 +/- 0.02; n = 10) is similar to the global fallout ratio at this latitude...

  11. Radioecological state of some surface water systems of contaminated areas of both Gomel and Mogilev Regions

    International Nuclear Information System (INIS)

    Datskevich, P. I.; Komissariv, F. D.; Khvale', O. D.; Basharina, L. P.; Lobach, I. L.

    1997-01-01

    The radioecological situation of different ecosystems of Belarus and their components has been analysed. Such components of the surface water ecosystems as water, suspensions, sediments and soils of water-collection areas were used for the investigation of the content of cesium 137 and strontium 90. The received data were given since 1990. The content of cesium 137 and strontium 90 in the components of water ecosystems was counted in the laboratory conditions by means of standard methods of beta radiometry, semiconductor gamma spectrometry and radiochemistry. The error of measurement of radioactivity was not higher than 25 and 35% for cesium 137 and strontium 90 accordingly. Water ecosystems were distinguished by the state of contamination of water-collection areas and hydrological parameters. These and some other reasons considered in the article influence on the character of cesium 137 and strontium 90 behaviour in water ecosystems

  12. Surface States Effect on the Large Photoluminescence Redshift in GaN Nanostructures

    KAUST Repository

    Ben Slimane, Ahmed

    2013-01-01

    We report on the large photoluminescence redshift observed in nanostructures fabricated using n-type GaN by ultraviolet (UV) metal-assisted electroless chemical-etching method. The scanning electron microscopy (SEM) characterization showed nanostructures with size dispersion ranging from 10 to 100 nm. We observed the crystalline structure using high resolution transmission electron microscopy (HRTEM) and electron energy loss (EELS) techniques. In contrast to 362 nm UV emission from the GaN epitaxy, the nanostructures emitted violet visible-light in photoluminescence (PL) characterization with increasing optical excitation. An energy band model was presented to shed light on the large PL redshift under the influence of surface states, which resulted in two competing photoluminescence mechanisms depending on excitation conditions.

  13. Initiation of arcing on tungsten surface exposed to steady state He plasmas

    Science.gov (United States)

    Kajita, Shin; Noiri, Yasuyuki; Ohno, Noriyasu

    2015-09-01

    Arcing was initiated in steady state helium plasmas by negatively biasing a tungsten electrode to around -500 V. On the tungsten electrode, nanostructures were grown by the plasma irradiation. In this study, we characterized the property of the initiated arcing by measuring the temporal evolutions of the electrode potential and the arc current. The ignition frequency and duration of arcing were presented from the potential measurements; the arc duration was in the range of changing the biasing voltage. The behavior of arc spots was observed with a fast framing camera. It was shown that the spots split frequently, and sometimes, they run on the surface independently. From the fluctuation of the arc current, the fractal feature of arcing was revealed.

  14. Spin texture of the surface state of three-dimensional Dirac material Ca3PbO

    Science.gov (United States)

    Kariyado, Toshikaze

    2015-04-01

    The bulk and surface electronic structures of a candidate three-dimensional Dirac material Ca3PbO and its family are discussed especially focusing on the spin texture on the surface states. We first explain the basic features of the bulk band structure of Ca3PbO, such as emergence of Dirac fermions near the Fermi energy, and compare it with the other known three-dimensional Dirac semimetals. Then, the surface bands and spin-texture on them are investigated in detail. It is shown that the surface bands exhibit strong momentum-spin locking, which may be useful in some application for spin manipulation, induced by a combination of the inversion symmetry breaking at the surface and the strong spin-orbit coupling of Pb atoms. The surface band structure and the spin-textures are sensitive to the surface types.

  15. Spin texture of the surface state of three-dimensional Dirac material Ca3PbO

    International Nuclear Information System (INIS)

    Kariyado, Toshikaze

    2015-01-01

    The bulk and surface electronic structures of a candidate three-dimensional Dirac material Ca 3 PbO and its family are discussed especially focusing on the spin texture on the surface states. We first explain the basic features of the bulk band structure of Ca 3 PbO, such as emergence of Dirac fermions near the Fermi energy, and compare it with the other known three-dimensional Dirac semimetals. Then, the surface bands and spin-texture on them are investigated in detail. It is shown that the surface bands exhibit strong momentum-spin locking, which may be useful in some application for spin manipulation, induced by a combination of the inversion symmetry breaking at the surface and the strong spin-orbit coupling of Pb atoms. The surface band structure and the spin-textures are sensitive to the surface types. (paper)

  16. Bulk and surface states carried supercurrent in ballistic Nb-Dirac semimetal Cd3As2 nanowire-Nb junctions

    NARCIS (Netherlands)

    Li, Cai Zhen; Li, Chuan; Wang, Li Xian; Wang, Shuo; Liao, Zhi Min; Brinkman, Alexander; Yu, Da Peng

    2018-01-01

    A three-dimensional Dirac semimetal has bulk Dirac cones in all three momentum directions and Fermi arc like surface states, and can be converted into a Weyl semimetal by breaking time-reversal symmetry. However, the highly conductive bulk state usually hides the electronic transport from the

  17. WIND SPEED AND ATMOSPHERIC STABILITY TRENDS FOR SELECTED UNITED STATES SURFACE STATIONS

    Energy Technology Data Exchange (ETDEWEB)

    Buckley, R; Allen H. Weber, A

    2006-11-01

    Recently it has been suggested that global warming and a decrease in mean wind speeds over most land masses are related. Decreases in near surface wind speeds have been reported by previous investigators looking at records with time spans of 15 to 30 years. This study focuses on United States (US) surface stations that have little or no location change since the late 1940s or the 1950s--a time range of up to 58 years. Data were selected from 62 stations (24 of which had not changed location) and separated into ten groups for analysis. The group's annual averages of temperature, wind speed, and percentage of Pasquill-Gifford (PG) stability categories were fitted with linear least squares regression lines. The results showed that the temperatures have increased for eight of the ten groups as expected. Wind speeds have decreased for nine of the ten groups. The mean slope of the wind speed trend lines for stations within the coterminous US was -0.77 m s{sup -1} per century. The percentage frequency of occurrence for the neutral (D) PG stability category decreased, while that for the unstable (B) and the stable (F) categories increased in almost all cases except for the group of stations located in Alaska.

  18. Surface functionalization of solid state ultra-high molecular weight polyethylene through chemical grafting

    Science.gov (United States)

    Sherazi, Tauqir A.; Rehman, Tayyiba; Naqvi, Syed Ali Raza; Shaikh, Ahson Jabbar; Shahzad, Sohail Anjum; Abbas, Ghazanfar; Raza, Rizwan; Waseem, Amir

    2015-12-01

    The surface of ultra-high molecular weight polyethylene (UHMWPE) powder was functionalized with styrene using chemical grafting technique. The grafting process was initiated through radical generation on base polymer matrix in the solid state by sodium thiosulfate, while peroxides formed at radical sites during this process were dissociated by ceric ammonium nitrate. Various factors were optimized and reasonably high level of monomer grafting was achieved, i.e., 15.6%. The effect of different acids as additive and divinyl benzene (DVB) as a cross-linking agent was also studied. Post-grafting sulfonation was conducted to introduce the ionic moieties to the grafted polymer. Ion-exchange capacity (IEC) was measured experimentally and is found to be 1.04 meq g-1, which is in close agreement with the theoretical IEC values. The chemical structure of grafted and functionalized polymer was characterized by attenuated total reflection infrared spectroscopy (ATR-FTIR) and thermal properties were investigated by thermo gravimetric analysis (TGA) and differential scanning calorimetry (DSC). Thermal analysis depicts that the presence of radicals on the polymer chain accelerates the thermal decomposition process. The results signify that the chemical grafting is an effective tool for substantial surface modification and subsequent functionalization of polyethylene.

  19. Quantitative measurements of ground state atomic oxygen in atmospheric pressure surface micro-discharge array

    Science.gov (United States)

    Li, D.; Kong, M. G.; Britun, N.; Snyders, R.; Leys, C.; Nikiforov, A.

    2017-06-01

    The generation of atomic oxygen in an array of surface micro-discharge, working in atmospheric pressure He/O2 or Ar/O2 mixtures, is investigated. The absolute atomic oxygen density and its temporal and spatial dynamics are studied by means of two-photon absorption laser-induced fluorescence. A high density of atomic oxygen is detected in the He/O2 mixture with up to 10% O2 content in the feed gas, whereas the atomic oxygen concentration in the Ar/O2 mixture stays below the detection limit of 1013 cm-3. The measured O density near the electrode under the optimal conditions in He/1.75% O2 gas is 4.26  ×  1015 cm-3. The existence of the ground state O (2p 4 3 P) species has been proven in the discharge at a distance up to 12 mm away from the electrodes. Dissociative reactions of the singlet O2 with O3 and deep vacuum ultraviolet radiation, including the radiation of excimer \\text{He}2\\ast , are proposed to be responsible for O (2p 4 3 P) production in the far afterglow. A capability of the surface micro-discharge array delivering atomic oxygen to long distances over a large area is considered very interesting for various biomedical applications.

  20. Steady-state subcooled nucleate boiling on a downward facing hemispherical surface

    International Nuclear Information System (INIS)

    Haddad, K.H.; Cheung, F.B.

    1996-01-01

    Steady-state nucleate boiling heat transfer experiments in saturated and subcooled water were conducted. The heating surface was a 0.305 m hemispherical aluminum vessel heated from the inside with water boiling on the outside. It was found that subcooling had very little effect on the nucleate boiling curve in the high heat flux regime where latent heat transport dominated. On the other hand, a relatively large effect of subcooling was observed in the low heat flux regime where sensible heat transport was important. Photographic records of the boiling phenomenon and the bubble dynamics indicated that in the high heat flux regime, boiling in the bottom center region of the vessel was cyclic in nature with a liquid heating phase, a bubble nucleation and growth phase, a bubble coalescence phase, and a large vapor mass ejection phase. At the same heat flux level, the size of the vapor masses was found to decrease from the bottom center toward the upper edge of the vessel, which was consistent with the observed increase in the critical heat flux in the flow direction along the curved heating surface

  1. Surface-water nutrient conditions and sources in the United States Pacific Northwest

    Science.gov (United States)

    Wise, D.R.; Johnson, H.M.

    2011-01-01

    The SPAtially Referenced Regressions On Watershed attributes (SPARROW) model was used to perform an assessment of surface-water nutrient conditions and to identify important nutrient sources in watersheds of the Pacific Northwest region of the United States (U.S.) for the year 2002. Our models included variables representing nutrient sources as well as landscape characteristics that affect nutrient delivery to streams. Annual nutrient yields were higher in watersheds on the wetter, west side of the Cascade Range compared to watersheds on the drier, east side. High nutrient enrichment (relative to the U.S. Environmental Protection Agency's recommended nutrient criteria) was estimated in watersheds throughout the region. Forest land was generally the largest source of total nitrogen stream load and geologic material was generally the largest source of total phosphorus stream load generated within the 12,039 modeled watersheds. These results reflected the prevalence of these two natural sources and the low input from other nutrient sources across the region. However, the combined input from agriculture, point sources, and developed land, rather than natural nutrient sources, was responsible for most of the nutrient load discharged from many of the largest watersheds. Our results provided an understanding of the regional patterns in surface-water nutrient conditions and should be useful to environmental managers in future water-quality planning efforts.

  2. Cr 3d surface and bulk states in Sn1-xCrxTe/Cr crystals

    International Nuclear Information System (INIS)

    Guziewicz, E.; Szamota-Sadowska, K.; Kowalski, B.J.; Grodzicka, E.; Story, T.; Orlowski, B.A.; Johnson, R.L.

    1997-01-01

    We report a new approach to investigate metal-semiconductor interface formation. Photoemission spectroscopy was applied in order to investigate the clean surface of a Sn 0.97 Cr 0.03 Te crystal and to observe its changes under sequential deposition of small amounts of Cr atoms. In order to analyse the Cr 3d contribution to the valence band, the Fano-type resonance tuned to the Cr 3p-3d transmission was used. The experiment was designed to follow the Sn 0.97 Cr 0.03 Te/Cr interface formation process. At the clean Sn 0.97 Cr 0.03 Te surface, the Cr 3d states contribution to the valence band was found to be positioned 0.8 eV below Fermi level. After the Cr deposition processes the contribution shifted to a higher binding energy and another contribution 5.8 eV below the Fermi level also observed. (author)

  3. Surface-Induced Frustration in Solid State Polymorphic Transition of Native Cellulose Nanocrystals.

    Science.gov (United States)

    Salminen, Reeta; Baccile, Niki; Reza, Mehedi; Kontturi, Eero

    2017-06-12

    The presence of an interface generally influences crystallization of polymers from melt or from solution. Here, by contrast, we explore the effect of surface immobilization in a direct solid state polymorphic transition on individual cellulose nanocrystals (CNCs), extracted from a plant-based origin. The conversion from native cellulose I to cellulose III crystal occurred via a host-guest inclusion of ethylene diamine inside the crystal. A 60% reduction in CNC width (height) in atomic force microscopy images suggested that when immobilized on a flat modified silica surface, the stresses caused by the inclusion or the subsequent regeneration resulted in exfoliation, hypothetically, between the van der Waals bonded sheets within the crystal. Virtually no changes in dimensions were visible when the polymorphic transition was performed to nonimmobilized CNCs in bulk dispersion. With reservations and by acknowledging the obvious dissimilarities, the exfoliation of cellulose crystal sheets can be viewed as analogous to exfoliation of 2D structures like graphene from a van der Waals stacked solid. Here, the detachment is triggered by an inclusion of a guest molecule inside a host cellulose crystal and the stresses caused by the firm attachment of the CNC on a solid substrate, leading to detachment of molecular sheets or stacks of sheets.

  4. Assessment of radioecological state of surface waters in the Gomel and Mogilev regions

    International Nuclear Information System (INIS)

    Khvaley, O.D.; Datskevich, P.I.; Komissarov, F.D.; Levosechko, S.I.

    2000-01-01

    Article states that aplication of the republican Admissible Levels (RAL-96) in practice and their juxtaposition with the obtained results of analyses are not always justified because water of the studied systems is excluded from economic water supply to population in resettlement zone. The radioecological criteria of quality of surface waters were developed in 1993 by Ukrainian hydrobiologists O.P.Oksiyuk, V.N.Zhukinsky and others contain six levels (classes) of radioecological pollution of water: 1 - non-polluted, 2 - lowly polluted, 3 - moderately polluted, 4 - highly polluted, 5 - very high pollution, 6 - utmost pollution; three classes of water quality and six categories of water quality. It is believed that according to this complex clasification of quality of surface terrestrial waters, water of the studied systems of Gomel and Mogilev regions very often has exceeded the RAL-96 for 90Sr. According to the proposed complex classification of quality of surface terrestrial waters, water of the studied systems belongs mainly - for 137Cs and 90Sr - to the quality categories: 3b ''lowly polluted'' and 4a ''moderately polluted'' independent on sampling period. On some sites of 30...10 km zone, water quality corresponds to categories 5a ''very high pollution'' and 5b ''utmost pollution'' for 90Sr (rivers Slovechna, Nesvich and Pogonyansky channel). Thus, in the studied water systems, in radioecological relation, there is not a single one with water quality corresponding to indices 3a, i.e.sufficiently clean. 90Sr has high migration ability and is able to participate in different migration cycles including biological (food chains). The cases of exceeding the RAL indices for 90Sr in water indicate the necessity to study also other components of water systems of Belarus relating to this isotope

  5. Improvements to the swath-level near-surface atmospheric state parameter retrievals within the NRL Ocean Surface Flux System (NFLUX)

    Science.gov (United States)

    May, J. C.; Rowley, C. D.; Meyer, H.

    2017-12-01

    The Naval Research Laboratory (NRL) Ocean Surface Flux System (NFLUX) is an end-to-end data processing and assimilation system used to provide near-real-time satellite-based surface heat flux fields over the global ocean. The first component of NFLUX produces near-real-time swath-level estimates of surface state parameters and downwelling radiative fluxes. The focus here will be on the satellite swath-level state parameter retrievals, namely surface air temperature, surface specific humidity, and surface scalar wind speed over the ocean. Swath-level state parameter retrievals are produced from satellite sensor data records (SDRs) from four passive microwave sensors onboard 10 platforms: the Special Sensor Microwave Imager/Sounder (SSMIS) sensor onboard the DMSP F16, F17, and F18 platforms; the Advanced Microwave Sounding Unit-A (AMSU-A) sensor onboard the NOAA-15, NOAA-18, NOAA-19, Metop-A, and Metop-B platforms; the Advanced Technology Microwave Sounder (ATMS) sensor onboard the S-NPP platform; and the Advanced Microwave Scannin Radiometer 2 (AMSR2) sensor onboard the GCOM-W1 platform. The satellite SDRs are translated into state parameter estimates using multiple polynomial regression algorithms. The coefficients to the algorithms are obtained using a bootstrapping technique with all available brightness temperature channels for a given sensor, in addition to a SST field. For each retrieved parameter for each sensor-platform combination, unique algorithms are developed for ascending and descending orbits, as well as clear vs cloudy conditions. Each of the sensors produces surface air temperature and surface specific humidity retrievals. The SSMIS and AMSR2 sensors also produce surface scalar wind speed retrievals. Improvement is seen in the SSMIS retrievals when separate algorithms are used for the even and odd scans, with the odd scans performing better than the even scans. Currently, NFLUX treats all SSMIS scans as even scans. Additional improvement in all of

  6. Changes in phase composition and stress state of surface layers of VK20 hard alloy after ion bombardment

    International Nuclear Information System (INIS)

    Platonov, G.L.; Leonov, E.Yu.; Anikin, V.N.; Anikeev, A.I.

    1988-01-01

    Titanium ion bombardment of the surface of the hard VK20 alloy is studied for its effect on variations in the phase and chemical composition of its surface layers. It is stated that ion treatment results in the appearance of the η-phase of Co 6 W 6 C composition in the surface layer of the VK20 alloy, in the increase of distortions and decrease of coherent scattering blocks of the hard alloy carbide phase. Such a bombardment is found to provoke a transition of the plane-stressed state of the hard alloy surface into the volume-stressed state. It is established that ion treatment does not cause an allotropic transition of the cobalt phase α-modification, formed during grinding of the hard alloy, into the β-modification

  7. How Can Polarization States of Reflected Light from Snow Surfaces Inform Us on Surface Normals and Ultimately Snow Grain Size Measurements?

    Science.gov (United States)

    Schneider, A. M.; Flanner, M.; Yang, P.; Yi, B.; Huang, X.; Feldman, D.

    2016-12-01

    The Snow Grain Size and Pollution (SGSP) algorithm is a method applied to Moderate Resolution Imaging Spectroradiometer data to estimate snow grain size from space-borne measurements. Previous studies validate and quantify potential sources of error in this method, but because it assumes flat snow surfaces, however, large scale variations in surface normals can cause biases in its estimates due to its dependence on solar and observation zenith angles. To address these variations, we apply the Monte Carlo method for photon transport using data containing the single scattering properties of different ice crystals to calculate polarization states of reflected monochromatic light at 1500nm from modeled snow surfaces. We evaluate the dependence of these polarization states on solar and observation geometry at 1500nm because multiple scattering is generally a mechanism for depolarization and the ice crystals are relatively absorptive at this wavelength. Using 1500nm thus results in a higher number of reflected photons undergoing fewer scattering events, increasing the likelihood of reflected light having higher degrees of polarization. In evaluating the validity of the model, we find agreement with previous studies pertaining to near-infrared spectral directional hemispherical reflectance (i.e. black-sky albedo) and similarities in measured bidirectional reflectance factors, but few studies exist modeling polarization states of reflected light from snow surfaces. Here, we present novel results pertaining to calculated polarization states and compare dependences on solar and observation geometry for different idealized snow surfaces. If these dependencies are consistent across different ice particle shapes and sizes, then these findings could inform the SGSP algorithm by providing useful relationships between measurable physical quantities and solar and observation geometry to better understand variations in snow surface normals from remote sensing observations.

  8. Tolerance of topological surface state towards adsorbed magnetic moments: Fe on Bi{sub 2}Te{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Scholz, Markus; Marchenko, Dmitry; Sanchez-Barriga, Jaime; Varykhalov, Andrei; Rader, Oliver [Helmholtz-Zentrum fuer Materialien und Energie, Berlin (Germany); Volykhov, Andrei; Yashina, Lada [Moscow State University, Moskau, Russland (Russian Federation)

    2011-07-01

    Topological surface states on Bi{sub 2}Se{sub 3} and Bi{sub 2}Te{sub 3} are protected by time reversal symmetry. Magnetic fields break time-reversal symmetry, and they have been used in two-dimensional spin quantum-Hall systems to destroy the topological edge states. Another possibility is to introduce magnetic moments. This has been done by substitution of Mn and Fe into the bulk. For Fe a small gap of 44meV was created, however, at very large amounts (12%). In this work, we deposit Fe directly onto the surface where the topological surface state is localized. We show for coverages of 0.25 and 1 ML Fe that the Dirac point remains intact and no gap appears. Core level spectroscopy of Bi and Te states gives insight into the interaction between substrate and adatoms. In addition, extra surface states appear at the Fermi energy which show a large Rashba-type spin-orbit splitting. The orientation of the spin of both, the topological as well as the Rashba-type split surface states is analysed.

  9. Oxidation state of sulfur, iron and tin at the surface of float glasses

    International Nuclear Information System (INIS)

    Lagarde, P; Flank, A-M; Jupille, J; Montigaud, H

    2009-01-01

    Sulfur is an important element of glasses, not because of its amount, always very low (less than 0.4 % in weight of SO 3 ), but because of its role since it actively participates to the refinement process and, combined to other elements, it can be responsible for the coloration of the glass. Iron is also of a major importance in most of the glasses. In the case of the float glass, the two faces, because of the fabrication process, are different in terms of composition (presence of Sn for one face) and also in terms of oxidation state of these minority elements (Fe, Sn, S). There should be a subtle interplay between the concentrations and the oxidation states of these different minority elements, and anyway these variations occur over a thickness of the order of few micrometers below the surface. Using the high intensity and the focusing properties (3 x 3 μm 2 ) of the x-ray beam from the Lucia beamline, we have therefore studied the speciation of iron and sulfur near the face of a float glass in relation with the behavior of tin. This has been obtained by combining elemental x-ray fluorescence cartography and x-ray micro-absorption at the different K-edges.

  10. Oxidation state of sulfur, iron and tin at the surface of float glasses

    Energy Technology Data Exchange (ETDEWEB)

    Lagarde, P; Flank, A-M [Synchrotron SOLEIL, l' Orme des Merisiers, BP 48 91192 Gif/Yvette cedex (France); Jupille, J [IMPMC, Universite P. and M. Curie, Campus de Boucicaut, 140 rue de Lourmel 75015 Paris (France); Montigaud, H [Saint-Gobain Recherche 39, quai Lucien Lefranc, BP 135 93303 Aubervilliers Cedex (France)

    2009-11-15

    Sulfur is an important element of glasses, not because of its amount, always very low (less than 0.4 % in weight of SO{sub 3}), but because of its role since it actively participates to the refinement process and, combined to other elements, it can be responsible for the coloration of the glass. Iron is also of a major importance in most of the glasses. In the case of the float glass, the two faces, because of the fabrication process, are different in terms of composition (presence of Sn for one face) and also in terms of oxidation state of these minority elements (Fe, Sn, S). There should be a subtle interplay between the concentrations and the oxidation states of these different minority elements, and anyway these variations occur over a thickness of the order of few micrometers below the surface. Using the high intensity and the focusing properties (3 x 3 {mu}m{sup 2}) of the x-ray beam from the Lucia beamline, we have therefore studied the speciation of iron and sulfur near the face of a float glass in relation with the behavior of tin. This has been obtained by combining elemental x-ray fluorescence cartography and x-ray micro-absorption at the different K-edges.

  11. Surface radiological investigations along State Highway 95, Lagoon Road, and Melton Valley Drive, Oak Ridge Reservation, Oak Ridge, Tennessee

    International Nuclear Information System (INIS)

    Tiner, P.F.; Uziel, M.S.; Rice, D.E.; Williams, J.K.

    1995-08-01

    The surface radiological investigation along State Highway 95, Lagoon Road, and Melton Valley Drive at the Oak Ridge Reservation was conducted as part of the Oak Ridge National Laboratory Environmental Restoration Program Surveillance and Maintenance activities. This report was prepared to document results of the investigation and subsequent remedial actions. The report details surface gamma radiation levels including gamma anomalies; surface beta radiation levels including beta anomalies; results of analysis of soil, water, and vegetation samples and smear samples collected from paved surfaces; remediation activities conducted as a result of the survey; and recommendations for further corrective measures

  12. A Methylmercury Prediction Too For Surface Waters Across The Contiguous United States (Invited)

    Science.gov (United States)

    Krabbenhoft, D. P.; Booth, N.; Lutz, M.; Fienen, M. N.; Saltman, T.

    2009-12-01

    About 20 years ago, researchers at a few locations across the globe discovered high levels of mercury in fish from remote settings lacking any obvious mercury source. We now know that for most locations atmospheric deposition is the dominant mercury source, and that mercury methylation is the key process that translates low mercury loading rates into relatively high levels in top predators of aquatic food webs. Presently, almost all US states have advisories for elevated levels of mercury in sport fish, and as a result there is considerable public awareness and concern for this nearly ubiquitous contaminant issue. In some states, “statewide” advisories have been issued because elevated fish mercury levels are so common, or the state has no effective way to monitor thousands of lakes, reservoirs, wetlands, and streams. As such, resource managers and public health officials have limited options for informing the public on of where elevated mercury concentrations in sport fish are more likely to occur than others. This project provides, for the first time, a national map of predicted (modeled) methylmercury concentrations in surface waters, which is the most toxic and bioaccumulative form of mercury in the environment. The map is the result of over two decades of research that resulted in the formulation of conceptual models of the mercury methylation process, which is strongly governed by environmental conditions - specifically hydrologic landscapes and water quality. The resulting predictive map shows clear regional trends in the distribution of methylmercury concentrations in surface waters. East of the Mississippi, the Gulf and southeastern Atlantic coast, the northeast, the lower Mississippi valley, and Great Lakes area are predicted to have generally higher environmental methylmercury levels. Higher-elevation, well-drained areas of Appalachia are predicted to have relatively lower methylmercury abundance. Other than the prairie pothole region, in the western

  13. State-of-stress in magmatic rift zones: Predicting the role of surface and subsurface topography

    Science.gov (United States)

    Oliva, S. J. C.; Ebinger, C.; Rivalta, E.; Williams, C. A.

    2017-12-01

    Continental rift zones are segmented along their length by large fault systems that form in response to extensional stresses. Volcanoes and crustal magma chambers cause fundamental changes to the density structure, load the plates, and alter the state-of-stress within the crust, which then dictates fracture orientation. In this study, we develop geodynamic models scaled to a structure, petrologic and thermodynamic studies constrain material densities, and seismicity and structural analyses constrain active and time-averaged kinematics. This area is an ideal test area because a 60º stress rotation is observed in time-averaged fault and magma intrusion, and in local seismicity, and because this was the site of a large volume dike intrusion and seismic sequence in 2007. We use physics-based 2D and 3D models (analytical and finite elements) constrained by data from active rift zones to quantify the effects of loading on state-of-stress. By modeling varying geometric arrangements, and density contrasts of topographic and subsurface loads, and with reasonable regional extensional forces, the resulting state-of-stress reveals the favored orientation for new intrusions. Although our models are generalized, they allow us to evaluate whether a magmatic system (surface and subsurface) can explain the observed stress rotation, and enable new intrusions, new faults, or fault reactivation with orientations oblique to the main border faults. Our results will improve our understanding of the different factors at play in these extensional regimes, as well as contribute to a better assessment of the hazards in the area.

  14. Influence of the State of the Tungsten Tip on STM Topographic Images of SnSe Surfaces

    Science.gov (United States)

    Ly, Trinh Thi; Kim, Jungdae

    2018-03-01

    Tin selenide (SnSe) has recently attracted significant attention because of its excellent thermoelectric properties with a figure of merit (ZT) of 2.6. Previous scanning tunneling microscopy (STM) studies of SnSe surfaces showed that only Sn atoms are resolved in topographic images due to the dominant contribution of the Sn 5 p z states in tunneling. However, when the state of the tungsten (W) tip changes from a typical four-lobe d state such as d xy or {d_{{x^2} - {y^2}}} to a two-lobe {d_{{z^2}}} state, the atomic features observed on the SnSe surface in STM topography can be dramatically altered. In this report, we present the results of a systematic study on the influence of the W tip's states on the STM images of SnSe surfaces. Sn atoms are observed with much stronger corrugation amplitude and smaller apparent radius when the tip is in a {d_{{z^2}}} state. In addition, the atomic features of the Se atoms become visible because of the sharply focused shape of the W {d_{{z^2}}} state. We expect our results to provide important information for establishing a better understanding of the microscopic nature of SnSe surfaces.

  15. Impact of satellite-based lake surface observations on the initial state of HIRLAM. Part II: Analysis of lake surface temperature and ice cover

    Directory of Open Access Journals (Sweden)

    Homa Kheyrollah Pour

    2014-09-01

    Full Text Available This paper presents results from a study on the impact of remote-sensing Lake Surface Water Temperature (LSWT observations in the analysis of lake surface state of a numerical weather prediction (NWP model. Data assimilation experiments were performed with the High Resolution Limited Area Model (HIRLAM, a three-dimensional operational NWP model. Selected thermal remote-sensing LSWT observations provided by the Moderate Resolution Imaging Spectroradiometer (MODIS and Advanced Along-Track Scanning Radiometer (AATSR sensors onboard the Terra/Aqua and ENVISAT satellites, respectively, were included into the assimilation. The domain of our experiments, which focussed on two winters (2010–2011 and 2011–2012, covered northern Europe. Validation of the resulting objective analyses against independent observations demonstrated that the description of the lake surface state can be improved by the introduction of space-borne LSWT observations, compared to the result of pure prognostic parameterisations or assimilation of the available limited number of in-situ lake temperature observations. Further development of the data assimilation methods and solving of several practical issues are necessary in order to fully benefit from the space-borne observations of lake surface state for the improvement of the operational weather forecast. This paper is the second part of a series of two papers aimed at improving the objective analysis of lake temperature and ice conditions in HIRLAM.

  16. Proximity induced ferromagnetism, superconductivity, and finite-size effects on the surface states of topological insulator nanostructures

    Science.gov (United States)

    Sengupta, Parijat; Kubis, Tillmann; Tan, Yaohua; Klimeck, Gerhard

    2015-01-01

    Bi2Te3 and Bi2Se3 are well known 3D-topological insulators (TI). Films made of these materials exhibit metal-like surface states with a Dirac dispersion and possess high mobility. The high mobility metal-like surface states can serve as building blocks for a variety of applications that involve tuning their dispersion relationship and opening a band gap. A band gap can be opened either by breaking time reversal symmetry, the proximity effect of a superconductor or ferromagnet or adjusting the dimensionality of the TI material. In this work, methods that can be employed to easily open a band gap for the TI surface states are assessed. Two approaches are described: (1) Coating the surface states with a ferromagnet which has a controllable magnetization axis. The magnetization strength of the ferromagnet is incorporated as an exchange interaction term in the Hamiltonian. (2) An s-wave superconductor, because of the proximity effect, when coupled to a 3D-TI opens a band gap on the surface. Finally, the hybridization of the surface Dirac cones can be controlled by reducing the thickness of the topological insulator film. It is shown that this alters the band gap significantly.

  17. Electronic states on the clean and oxygen-covered molybdenum (110) surface measured using time-of-flight momentum microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Chernov, Sergii

    2016-04-20

    Recent experiments discovered a new class of materials called topological insulators and started an extensive investigation in order to find more materials of such type and to understand and explore the opening perspectives in fundamental science and application. These materials exhibit a Dirac-type (massless) electronic state, bridging the fundamental band gap. Surprisingly, a strongly spin-polarized surface state with linear dispersion resembling that of Dirac type was found on the already well-investigated W(110) surface. This rose the question of the existence of the same non-trivial electron state on other metal surfaces. The present work describes the investigation of surface electronic states on the Mo(110) surface, their dispersion and transformation upon surface oxidation. This system is isoelectronic to the case of W(110) but due to the lower atomic number the spin-orbit interaction responsible for local band gap formation is substantially decreased by a factor of 5. The Mo(110) surface was shown to exhibit a linearly dispersing state quite similar to the one on W(110), but within a smaller energy range of 120 meV, with the Dirac point lying in the center of a local band gap in k-space. The experimental investigations were performed with the help of momentum microscopy, using a Ti:sapphire laser in the lab and synchrotron radiation at BESSY II, Berlin. The results show good agreement with theoretical calculations of the band structure and photoemission patterns for clean Mo(110). The fully parallel 3D acquisition scheme allowed to visualize the full surface Brillouin zone of the sample up to few eV binding energy within a single exposure of typically less than 30 min. This opens the door to future time-resolved experiments with maximum detection efficiency.

  18. Electronic states on the clean and oxygen-covered molybdenum (110) surface measured using time-of-flight momentum microscopy

    International Nuclear Information System (INIS)

    Chernov, Sergii

    2016-01-01

    Recent experiments discovered a new class of materials called topological insulators and started an extensive investigation in order to find more materials of such type and to understand and explore the opening perspectives in fundamental science and application. These materials exhibit a Dirac-type (massless) electronic state, bridging the fundamental band gap. Surprisingly, a strongly spin-polarized surface state with linear dispersion resembling that of Dirac type was found on the already well-investigated W(110) surface. This rose the question of the existence of the same non-trivial electron state on other metal surfaces. The present work describes the investigation of surface electronic states on the Mo(110) surface, their dispersion and transformation upon surface oxidation. This system is isoelectronic to the case of W(110) but due to the lower atomic number the spin-orbit interaction responsible for local band gap formation is substantially decreased by a factor of 5. The Mo(110) surface was shown to exhibit a linearly dispersing state quite similar to the one on W(110), but within a smaller energy range of 120 meV, with the Dirac point lying in the center of a local band gap in k-space. The experimental investigations were performed with the help of momentum microscopy, using a Ti:sapphire laser in the lab and synchrotron radiation at BESSY II, Berlin. The results show good agreement with theoretical calculations of the band structure and photoemission patterns for clean Mo(110). The fully parallel 3D acquisition scheme allowed to visualize the full surface Brillouin zone of the sample up to few eV binding energy within a single exposure of typically less than 30 min. This opens the door to future time-resolved experiments with maximum detection efficiency.

  19. Spin injection and inverse Edelstein effect in the surface states of topological Kondo insulator SmB6

    Science.gov (United States)

    Song, Qi; Mi, Jian; Zhao, Dan; Su, Tang; Yuan, Wei; Xing, Wenyu; Chen, Yangyang; Wang, Tianyu; Wu, Tao; Chen, Xian Hui; Xie, X. C.; Zhang, Chi; Shi, Jing; Han, Wei

    2016-01-01

    There has been considerable interest in exploiting the spin degrees of freedom of electrons for potential information storage and computing technologies. Topological insulators (TIs), a class of quantum materials, have special gapless edge/surface states, where the spin polarization of the Dirac fermions is locked to the momentum direction. This spin–momentum locking property gives rise to very interesting spin-dependent physical phenomena such as the Edelstein and inverse Edelstein effects. However, the spin injection in pure surface states of TI is very challenging because of the coexistence of the highly conducting bulk states. Here, we experimentally demonstrate the spin injection and observe the inverse Edelstein effect in the surface states of a topological Kondo insulator, SmB6. At low temperatures when only surface carriers are present, a clear spin signal is observed. Furthermore, the magnetic field angle dependence of the spin signal is consistent with spin–momentum locking property of surface states of SmB6. PMID:27834378

  20. Response of the Shockley surface state to an external electrical field: A density-functional theory study of Cu(111)

    Science.gov (United States)

    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.

  1. Phase contribution of image potential on empty quantum well States in pb islands on the cu(111) surface.

    Science.gov (United States)

    Yang, M C; Lin, C L; Su, W B; Lin, S P; Lu, S M; Lin, H Y; Chang, C S; Hsu, W K; Tsong, Tien T

    2009-05-15

    We use scanning tunneling spectroscopy to explore the quantum well states in the Pb islands grown on a Cu(111) surface. Our observation demonstrates that the empty quantum well states, whose energy levels lie beyond 1.2 eV above the Fermi level, are significantly affected by the image potential. As the quantum number increases, the energy separation between adjacent states is shrinking rather than widening, contrary to the prediction for a square potential well. By simply introducing a phase factor to reckon the effect of the image potential, the shrinking behavior of the energy separation can be reasonably explained with the phase accumulation model. The model also reveals that there exists a quantum regime above the Pb surface in which the image potential is vanished. Moreover, the quasi-image-potential state in the tunneling gap is quenched because of the existence of the quantum well states.

  2. STM imaging of electronic waves on the surface of Bi2Te3: topologically protected surface states and hexagonal warping effects

    Energy Technology Data Exchange (ETDEWEB)

    Alpichshev, Zhanybek; /SIMES, Stanford /SLAC /Stanford U., Phys. Dept.; Analytis, J.G.; /SIMES, Stanford /SLAC /Stanford U., Phys. Dept.; Chu, J.-H.; Fisher, I.R.; /SIMES, Stanford /SLAC /Stanford U., Phys. Dept. /Stanford U., Appl. Phys. Dept.; Chen, Y.L.; /SIMES, Stanford /SLAC /Stanford U., Phys. Dept.; Shen, Z.X.; /SIMES, Stanford /SLAC /Stanford U., Phys. Dept. /Stanford U., Appl. Phys. Dept.; Fang, A.; /Stanford U., Phys. Dept. /Stanford U., Appl. Phys. Dept.; Kapitulnik, A.; /SIMES, Stanford /SLAC /Stanford U., Phys. Dept. /Stanford U., Appl. Phys. Dept.

    2010-06-02

    Scanning tunneling spectroscopy studies on high-quality Bi{sub 2}Te{sub 3} crystals exhibit perfect correspondence to ARPES data, hence enabling identification of different regimes measured in the local density of states (LDOS). Oscillations of LDOS near a step are analyzed. Within the main part of the surface band oscillations are strongly damped, supporting the hypothesis of topological protec- tion. At higher energies, as the surface band becomes concave, oscillations appear which disperse with a particular wave-vector that may result from an unconventional hexagonal warping term.

  3. Sectoral contributions to surface water stress in the coterminous United States

    International Nuclear Information System (INIS)

    Averyt, K; Meldrum, J; Caldwell, P; Sun, G; McNulty, S; Huber-Lee, A; Madden, N

    2013-01-01

    Here, we assess current stress in the freshwater system based on the best available data in order to understand possible risks and vulnerabilities to regional water resources and the sectors dependent on freshwater. We present watershed-scale measures of surface water supply stress for the coterminous United States (US) using the water supply stress index (WaSSI) model which considers regional trends in both water supply and demand. A snapshot of contemporary annual water demand is compared against different water supply regimes, including current average supplies, current extreme-year supplies, and projected future average surface water flows under a changing climate. In addition, we investigate the contributions of different water demand sectors to current water stress. On average, water supplies are stressed, meaning that demands for water outstrip natural supplies in over 9% of the 2103 watersheds examined. These watersheds rely on reservoir storage, conveyance systems, and groundwater to meet current water demands. Overall, agriculture is the major demand-side driver of water stress in the US, whereas municipal stress is isolated to southern California. Water stress introduced by cooling water demands for power plants is punctuated across the US, indicating that a single power plant has the potential to stress water supplies at the watershed scale. On the supply side, watersheds in the western US are particularly sensitive to low flow events and projected long-term shifts in flow driven by climate change. The WaSSI results imply that not only are water resources in the southwest in particular at risk, but that there are also potential vulnerabilities to specific sectors, even in the ‘water-rich’ southeast. (letter)

  4. The response of surface ozone to climate change over the Eastern United States

    Directory of Open Access Journals (Sweden)

    P. N. Racherla

    2008-02-01

    Full Text Available We investigate the response of surface ozone (O3 to future climate change in the eastern United States by performing simulations corresponding to present (1990s and future (2050s climates using an integrated model of global climate, tropospheric gas-phase chemistry, and aerosols. A future climate has been imposed using ocean boundary conditions corresponding to the IPCC SRES A2 scenario for the 2050s decade. Present-day anthropogenic emissions and CO2/CH4 mixing ratios have been used in both simulations while climate-sensitive emissions were allowed to vary with the simulated climate. The severity and frequency of O3 episodes in the eastern U.S. increased due to future climate change, primarily as a result of increased O3 chemical production. The 95th percentile O3 mixing ratio increased by 5 ppbv and the largest frequency increase occured in the 80–90 ppbv range; the US EPA's current 8-h ozone primary standard is 80 ppbv. The increased O3 chemical production is due to increases in: 1 natural isoprene emissions; 2 hydroperoxy radical concentrations resulting from increased water vapor concentrations; and, 3 NOx concentrations resulting from reduced PAN. The most substantial and statistically significant (p<0.05 increases in episode frequency occurred over the southeast and midatlantic U.S., largely as a result of 20% higher annual-average natural isoprene emissions. These results suggest a lengthening of the O3 season over the eastern U.S. in a future climate to include late spring and early fall months. Increased chemical production and shorter average lifetime are two consistent features of the seasonal response of surface O3, with increased dry deposition loss rates contributing most to the reduced lifetime in all seasons except summer. Significant interannual variability is observed in the frequency of O3

  5. Understanding Long-Term Variations in Surface Ozone in United States (U.S. National Parks

    Directory of Open Access Journals (Sweden)

    Deborah McGlynn

    2018-03-01

    Full Text Available Long-term surface ozone observations at 25 National Park Service sites across the United States were analyzed for processes on varying time scales using a time scale decomposition technique, the Ensemble Empirical Mode Decomposition (EEMD. Time scales of interest include the seasonal cycle, large-scale climate oscillations, and long-term (>10 years trends. Emission reductions were found to have a greater impact on sites that are nearest major urban areas. Multidecadal trends in surface ozone were increasing at a rate of 0.07 to 0.37 ppbv year−1 before 2004 and decreasing at a rate of −0.08 to −0.60 ppbv year−1 after 2004 for sites in the East, Southern California, and Northwestern Washington. Sites in the Intermountain West did not experience a reversal of trends from positive to negative until the mid- to late 2000s. The magnitude of the annual amplitude (=annual maximum–minimum decreased at eight sites, two in the West, two in the Intermountain West, and four in the East, by 5–20 ppbv and significantly increased at three sites; one in Alaska, one in the West, and one in the Intermountain West, by 3–4 ppbv. Stronger decreases in the annual amplitude occurred at a greater proportion of sites in the East (4/6 sites than in the West/Intermountain West (4/19 sites. The date of annual maximums and/or minimums has changed at 12 sites, occurring 10–60 days earlier in the year. There appeared to be a link between the timing of the annual maximum and the decrease in the annual amplitude, which was hypothesized to be related to a decrease in ozone titration resulting from NOx emission reductions. Furthermore, it was found that a phase shift of the Pacific Decadal Oscillation (PDO, from positive to negative, in 1998–1999 resulted in increased occurrences of La Niña-like conditions. This shift had the effect of directing more polluted air masses from East Asia to higher latitudes over the North American continent. The change in the

  6. Comparisons of predicted steady-state levels in rooms with extended- and local-reaction bounding surfaces

    Science.gov (United States)

    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.

  7. Predicting Summer Dryness Under a Warmer Climate: Modeling Land Surface Processes in the Midwestern United States

    Science.gov (United States)

    Winter, J. M.; Eltahir, E. A.

    2009-12-01

    One of the most significant impacts of climate change is the potential alteration of local hydrologic cycles over agriculturally productive areas. As the world’s food supply continues to be taxed by its burgeoning population, a greater percentage of arable land will need to be utilized and land currently producing food must become more efficient. This study seeks to quantify the effects of climate change on soil moisture in the American Midwest. A series of 24-year numerical experiments were conducted to assess the ability of Regional Climate Model Version 3 coupled to Integrated Biosphere Simulator (RegCM3-IBIS) and Biosphere-Atmosphere Transfer Scheme 1e (RegCM3-BATS1e) to simulate the observed hydroclimatology of the midwestern United States. Model results were evaluated using NASA Surface Radiation Budget, NASA Earth Radiation Budget Experiment, Illinois State Water Survey, Climate Research Unit Time Series 2.1, Global Soil Moisture Data Bank, and regional-scale estimations of evapotranspiration. The response of RegCM3-IBIS and RegCM3-BATS1e to a surrogate climate change scenario, a warming of 3oC at the boundaries and doubling of CO2, was explored. Precipitation increased significantly during the spring and summer in both RegCM3-IBIS and RegCM3-BATS1e, leading to additional runoff. In contrast, enhancement of evapotranspiration and shortwave radiation were modest. Soil moisture remained relatively unchanged in RegCM3-IBIS, while RegCM3-BATS1e exhibited some fall and winter wetting.

  8. Quantum magnetotransport for the surface states of three-dimensional topological insulators in the presence of a Zeeman field

    KAUST Repository

    Tahir, Muhammad

    2013-05-01

    We show that the surface states of magnetic topological insulators realize an activated behavior and Shubnikov de Haas oscillations. Applying an external magnetic field perpendicular to the surface of the topological insulator in the presence of Zeeman interaction, we investigate the opening of a gap at the Dirac point, making the surface Dirac fermions massive, and the effects on the transport properties. Analytical expressions are derived for the collisional conductivity for elastic impurity scattering in the first Born approximation. We also calculate the Hall conductivity using the Kubo formalism. Evidence for a transition from gapless to gapped surface states at n = 0 and activated transport is found from the temperature and magnetic-field dependence of the collisional and Hall conductivities. © Copyright EPLA, 2013.

  9. Adsorption of CO, CO2, H2, and H2O on titania surfaces with different oxidation states

    International Nuclear Information System (INIS)

    Raupp, G.B.; Dumesic, J.A.

    1985-01-01

    The adsorptive properties of titania surfaces with different oxidation states were proved by temperature-programmed desorption (TPD) of CO, H 2 , CO 2 , and H 2 O. Auger electron spectroscopy and X-ray photoelectron spectroscopy revealed that vacuum annealing an oxidized titanium foil at temperatures from 300 to 800 K was an effective means of systematically varying the average surface oxidation state from Ti 4+ to Ti 2+ . Carbon monoxide weakly adsorbed (desorption energy of 44-49 kJ x mol -1 ) in a carbonyl fashion on coordinatively unsaturated cation sites. Titania surfaces were inert with respect to H 2 adsorption and dissociation. Carbon dioxide adsorbed in a linear molecular fashion. Water adsorbed both molecularly and dissociatively. Results are discussed in terms of the role of titania oxidation state in CO hydrogenation over titania-supported metal catalysts. 74 references, 7 figures

  10. Optimization of Saccharomyces boulardii production in solid-state fermentation with response surface methodology

    Directory of Open Access Journals (Sweden)

    Yuanliang Hu

    2016-01-01

    Full Text Available Saccharomyces boulardii preparations are promising probiotics and clinical agents for animals and humans. This work focused on optimizing the nutritional conditions for the production of S. boulardii in solid-state fermentation by using classical and statistical methods. In single-factor experiments, the S. boulardii production was significantly increased by the addition of glucoamylase and the optimal carbon and nitrogen sources were found to be soluble starch and NH4Cl, respectively. The effects of the glucoamylase, soluble starch and NH4Cl on S. boulardii production were evaluated by a three-level three-factor Box–Behnken design and response surface methodology (RSM. The maximal yeast count (4.50 ×109CFU/g was obtained under the optimized conditions (198 U/g glucoamylase, 2.37% soluble starch and 0.9% NH4Cl, which was in a good agreement with the predicted value of the model. This study has provided useful information on how to improve the accumulation of yeast cells by RSM.

  11. Surface states in the photoionization of high-quality CdSe core/shell nanocrystals.

    Science.gov (United States)

    Li, Shu; Steigerwald, Michael L; Brus, Louis E

    2009-05-26

    We use electric force microscopy (EFM) to study single nanocrystal photoionization in two classes of high-quality nanocrystals whose exciton luminescence quantum yields approach unity in solution. The CdSe/CdS/ZnS core/shell nanocrystals do not photoionize, while the CdSe/CdS nanocrystals do show substantial photoionization. This verifies the theoretical prediction that the ZnS shell confines the excited electron within the nanocrystal. Despite the high luminescence quantum yield, photoionization varies substantially among the CdSe/CdS nanocrystals. We have studied the nanocrystal photoionization with both UV (396 nm) and green (532 nm) light, and we have found that the magnitude of the charge due to photoionization per absorbed photon is greater for UV excitation than for green excitation. A fraction of the photoionization occurs directly via a "hot electron" process, using trap states that are either on the particle surface, within the ligand sphere, or within the silicon oxide layer. This must occur without relaxation to the thermalized, lowest-energy, emitting exciton. We discuss the occurrence of hot carrier processes that are common to photoionization, luminescence blinking, and the fast transient optical absorption that is associated with multiple exciton generation MEG studies.

  12. Engineering Topological Surface State of Cr-doped Bi2Se3 under external electric field

    Science.gov (United States)

    Zhang, Jian-Min; Lian, Ruqian; Yang, Yanmin; Xu, Guigui; Zhong, Kehua; Huang, Zhigao

    2017-03-01

    External electric field control of topological surface states (SSs) is significant for the next generation of condensed matter research and topological quantum devices. Here, we present a first-principles study of the SSs in the magnetic topological insulator (MTI) Cr-doped Bi2Se3 under external electric field. The charge transfer, electric potential, band structure and magnetism of the pure and Cr doped Bi2Se3 film have been investigated. It is found that the competition between charge transfer and spin-orbit coupling (SOC) will lead to an electrically tunable band gap in Bi2Se3 film under external electric field. As Cr atom doped, the charge transfer of Bi2Se3 film under external electric field obviously decreases. Remarkably, the band gap of Cr doped Bi2Se3 film can be greatly engineered by the external electric field due to its special band structure. Furthermore, magnetic coupling of Cr-doped Bi2Se3 could be even mediated via the control of electric field. It is demonstrated that external electric field plays an important role on the electronic and magnetic properties of Cr-doped Bi2Se3 film. Our results may promote the development of electronic and spintronic applications of magnetic topological insulator.

  13. Influence of steam generator surface state on corrosion and oxide formation

    International Nuclear Information System (INIS)

    Mazenc, Arnaud; Leclercq, Stephanie; Seyeux, Antoine; Galtayries, Anouk; Marcus, Philippe

    2012-09-01

    The corrosion and release of nickel-based alloy Steam Generator tubes are partly due to their surface state. Among the most important parameters influencing the corrosion, the effect of grain size and the effect of grain crystallographic orientation have been chosen to be studied. The aim of this study is to determine how these parameters have an impact on the corrosion of Steam Generator tubes. Thermal treatments (700 deg. C and 1050 deg. C) have been performed on several samples in Alloy 690 to obtain homogeneous grain sizes, varying from 25 μm to 110 μm. Two samples have been oxidised for four days in a recirculating autoclave, reproducing primary conditions. The changes of oxide composition and thickness were examined by ToF-SIMS on samples exposed to primary water conditions. The intensity profiles versus thicknesses of characteristic oxide anions, such as CrO - , NiO - or FeO - enable us to evaluate the effect of grain size and crystallographic orientation on the formation of an enriched inner chromium layer. As regards to the grain size, there was no effect on the growth, but smaller grains led to a chromium-rich oxide layer. The effect of crystallographic orientation was observed on the oxidation kinetics and the composition of oxide scales. (authors)

  14. Numerical evaluation of state boundary surface through rotation of principal stress axes in sand

    International Nuclear Information System (INIS)

    Sadrnejad, S. A.

    2001-01-01

    In applying shear stress to saturated soil with arbitrary stress paths, the prediction of the exact value of strains is difficult because of mainly its stress path dependent nature. Rotation of the principal stress axes during shearing of the soil is a feature of stress paths associated with many field loading situations. A proper understanding of the effects of principal stress rotation on soil behavior can be provided if the anisotropy existing prior to stress rotation and induced anisotropy due to plastic flow in soil are clearly understood and modeled. A multi laminate based model for soil is developed and used to compute and present the influence of rotation of principal stress axes on the plastic behavior of soil. This is fulfilled by distributing the effects of boundary condition changes into several predefined sampling orientations at one point and summing the micro-results up as the macro-result. The validity of the presented model examined by comparing numerical and test results showing the mentioned aspect. In this paper, the state boundary surface is numerically obtained by a multi laminate based model capable of predicting the behavior of sand under the influences of rotation of the direction of principal stress axes and induced anisotropy. the predicted numerical results are tally in agreement with experiments

  15. Multimodal Nonlinear Optical Imaging for Sensitive Detection of Multiple Pharmaceutical Solid-State Forms and Surface Transformations.

    Science.gov (United States)

    Novakovic, Dunja; Saarinen, Jukka; Rojalin, Tatu; Antikainen, Osmo; Fraser-Miller, Sara J; Laaksonen, Timo; Peltonen, Leena; Isomäki, Antti; Strachan, Clare J

    2017-11-07

    Two nonlinear imaging modalities, coherent anti-Stokes Raman scattering (CARS) and sum-frequency generation (SFG), were successfully combined for sensitive multimodal imaging of multiple solid-state forms and their changes on drug tablet surfaces. Two imaging approaches were used and compared: (i) hyperspectral CARS combined with principal component analysis (PCA) and SFG imaging and (ii) simultaneous narrowband CARS and SFG imaging. Three different solid-state forms of indomethacin-the crystalline gamma and alpha forms, as well as the amorphous form-were clearly distinguished using both approaches. Simultaneous narrowband CARS and SFG imaging was faster, but hyperspectral CARS and SFG imaging has the potential to be applied to a wider variety of more complex samples. These methodologies were further used to follow crystallization of indomethacin on tablet surfaces under two storage conditions: 30 °C/23% RH and 30 °C/75% RH. Imaging with (sub)micron resolution showed that the approach allowed detection of very early stage surface crystallization. The surfaces progressively crystallized to predominantly (but not exclusively) the gamma form at lower humidity and the alpha form at higher humidity. Overall, this study suggests that multimodal nonlinear imaging is a highly sensitive, solid-state (and chemically) specific, rapid, and versatile imaging technique for understanding and hence controlling (surface) solid-state forms and their complex changes in pharmaceuticals.

  16. CAUSES: On the Role of Surface Energy Budget Errors to the Warm Surface Air Temperature Error Over the Central United States

    Science.gov (United States)

    Ma, H.-Y.; Klein, S. A.; Xie, S.; Zhang, C.; Tang, S.; Tang, Q.; Morcrette, C. J.; Van Weverberg, K.; Petch, J.; Ahlgrimm, M.; Berg, L. K.; Cheruy, F.; Cole, J.; Forbes, R.; Gustafson, W. I.; Huang, M.; Liu, Y.; Merryfield, W.; Qian, Y.; Roehrig, R.; Wang, Y.-C.

    2018-03-01

    Many weather forecast and climate models simulate warm surface air temperature (T2m) biases over midlatitude continents during the summertime, especially over the Great Plains. We present here one of a series of papers from a multimodel intercomparison project (CAUSES: Cloud Above the United States and Errors at the Surface), which aims to evaluate the role of cloud, radiation, and precipitation biases in contributing to the T2m bias using a short-term hindcast approach during the spring and summer of 2011. Observations are mainly from the Atmospheric Radiation Measurement Southern Great Plains sites. The present study examines the contributions of surface energy budget errors. All participating models simulate too much net shortwave and longwave fluxes at the surface but with no consistent mean bias sign in turbulent fluxes over the Central United States and Southern Great Plains. Nevertheless, biases in the net shortwave and downward longwave fluxes as well as surface evaporative fraction (EF) are contributors to T2m bias. Radiation biases are largely affected by cloud simulations, while EF bias is largely affected by soil moisture modulated by seasonal accumulated precipitation and evaporation. An approximate equation based upon the surface energy budget is derived to further quantify the magnitudes of radiation and EF contributions to T2m bias. Our analysis ascribes that a large EF underestimate is the dominant source of error in all models with a large positive temperature bias, whereas an EF overestimate compensates for an excess of absorbed shortwave radiation in nearly all the models with the smallest temperature bias.

  17. Topological surface states interacting with bulk excitations in the Kondo insulator SmB6 revealed via planar tunneling spectroscopy.

    Science.gov (United States)

    Park, Wan Kyu; Sun, Lunan; Noddings, Alexander; Kim, Dae-Jeong; Fisk, Zachary; Greene, Laura H

    2016-06-14

    Samarium hexaboride (SmB6), a well-known Kondo insulator in which the insulating bulk arises from strong electron correlations, has recently attracted great attention owing to increasing evidence for its topological nature, thereby harboring protected surface states. However, corroborative spectroscopic evidence is still lacking, unlike in the weakly correlated counterparts, including Bi2Se3 Here, we report results from planar tunneling that unveil the detailed spectroscopic properties of SmB6 The tunneling conductance obtained on the (001) and (011) single crystal surfaces reveals linear density of states as expected for two and one Dirac cone(s), respectively. Quite remarkably, it is found that these topological states are not protected completely within the bulk hybridization gap. A phenomenological model of the tunneling process invoking interaction of the surface states with bulk excitations (spin excitons), as predicted by a recent theory, provides a consistent explanation for all of the observed features. Our spectroscopic study supports and explains the proposed picture of the incompletely protected surface states in this topological Kondo insulator SmB6.

  18. Band-gap-confinement and image-state-recapture effects in the survival of anions scattered from metal surfaces

    International Nuclear Information System (INIS)

    Schmitz, Andrew; Shaw, John; Chakraborty, Himadri S.; Thumm, Uwe

    2010-01-01

    The resonant charge transfer process in the collision of hydrogen anions with metal surfaces is described within a single-active-electron wave-packet propagation method. The ion-survival probability is found to be strongly enhanced at two different surface-specific perpendicular velocities of the ion. It is shown that, while the low-velocity enhancement is induced from a dynamical confinement of the ion level inside the band gap, the high-velocity enhancement is due to electron recapture from transiently populated image states. Results are presented for Li(110), Cu(111), and Pd(111) surfaces.

  19. Preparing Al-Mg Substrate for Thermal Spraying: Evaluation of Surface State After Different Pretreatments

    Science.gov (United States)

    Lukauskaitė, R.; Valiulis, A. V.; Černašėjus, O.; Škamat, J.; Rębiś, J. A.

    2016-08-01

    The article deals with the pretreatment technique for preparing the surface of aluminum alloy EN AW 5754 before thermal spray. The surface after different pretreatments, including degreasing with acetone, chemical etching with acidic and alkali solutions, grit-blasting, cathodic cleaning, and some combinations of these techniques, has been studied. The investigation of pre-treated surfaces covered the topographical study (using scanning electron microscopy, atomic force microscopy, and 3D profilometry), the chemical analysis by x-ray photoelectron spectroscopy, the evaluation of surface wettability (sessile drop method), and the assessment of surface free energy. Compared with all the techniques used in present work, the cathodic cleaning and its combination with grit-blasting provide the most preferable chemistry of the surface. Due to the absence of hydroxides at the surface and, possible, due to the diffusion of magnesium to the surface of substrate, the surface wettability and the surface free energy have been significantly improved. No direct correlation between the surface topography and the surface wettability has been established.

  20. Control of two-dimensional electronic states at anatase Ti O2(001 ) surface by K adsorption

    Science.gov (United States)

    Yukawa, R.; Minohara, M.; Shiga, D.; Kitamura, M.; Mitsuhashi, T.; Kobayashi, M.; Horiba, K.; Kumigashira, H.

    2018-04-01

    The nature of the intriguing metallic electronic structures appearing at the surface of anatase titanium dioxide (a-Ti O2 ) remains to be elucidated, mainly owing to the difficulty of controlling the depth distribution of the oxygen vacancies generated by photoirradiation. In this study, K atoms were adsorbed onto the (001) surface of a-Ti O2 to dope electrons into the a-Ti O2 and to confine the electrons in the surface region. The success of the electron doping and its controllability were confirmed by performing in situ angle-resolved photoemission spectroscopy as well as core-level measurements. Clear subband structures were observed in the surface metallic states, indicating the creation of quasi-two-dimensional electron liquid (q2DEL) states in a controllable fashion. With increasing electron doping (K adsorption), the q2DEL states exhibited crossover from polaronic liquid states with multiple phonon-loss structures originating from the long-range Fröhlich interaction to "weakly correlated metallic" states. In the q2DEL states in the weakly correlated metallic region, a kink due to short-range electron-phonon coupling was clearly observed at about 80 ±10 meV . The characteristic energy is smaller than that previously observed for the metallic states of a-Ti O2 with three-dimensional nature (˜110 meV ) . These results suggest that the dominant electron-phonon coupling is modulated by anisotropic carrier screening in the q2DEL states.

  1. Influence of structured sidewalls on the wetting states and superhydrophobic stability of surfaces with dual-scale roughness

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Huaping, E-mail: wuhuaping@gmail.com [Key Laboratory of E& M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014 (China); State Key Laboratory of Structural Analysis for Industrial Equipment, Dalian University of Technology, Dalian 116024 (China); Zhu, Kai; Wu, Bingbing [Key Laboratory of E& M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014 (China); Lou, Jia [Piezoelectric Device Laboratory, Department of Mechanics and Engineering Science, Ningbo University, Ningbo, Zhejiang 315211 (China); Zhang, Zheng [Key Laboratory of E& M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014 (China); Chai, Guozhong, E-mail: chaigz@zjut.edu.cn [Key Laboratory of E& M (Zhejiang University of Technology), Ministry of Education & Zhejiang Province, Hangzhou 310014 (China)

    2016-09-30

    Highlights: • Apparent contact angle equation of all wetting states on dual-scale rough surfaces is derived. • Structured sidewalls can improve superhydrophobicity than smooth sidewalls. • Structured sidewalls can enlarge ACA than smooth sidewalls. • Structured sidewalls present an advantage over smooth sidewalls in terms of enhancing superhydrophobic stability. - Abstract: The superhydrophobicity of biological surfaces with dual-scale roughness has recently received considerable attention because of the unique wettability of such surfaces. Based on this, artificial micro/nano hierarchical structures with structured sidewalls and smooth sidewalls were designed and the influences of sidewall configurations (i.e., structured and smooth) on the wetting state of micro/nano hierarchical structures were systematically investigated based on thermodynamics and the principle of minimum free energy. Wetting transition and superhydrophobic stability were then analyzed for a droplet on dual-scale rough surfaces with structured and smooth sidewalls. Theoretical analysis results show that dual-scale rough surfaces with structured sidewalls have a larger “stable superhydrophobic region” than those with smooth sidewalls. The dual-scale rough surfaces with smooth sidewalls can enlarge the apparent contact angle (ACA) without improvement in the superhydrophobic stability. By contrast, dual-scale rough surfaces with structured sidewalls present an advantage over those with smooth sidewalls in terms of enlarging ACA and enhancing superhydrophobic stability. The proposed thermodynamic model is valid when compared with previous experimental data and numerical analysis results, which is helpful for designing and understanding the wetting states and superhydrophobic stability of surfaces with dual-scale roughness.

  2. Diversity and antimicrobial resistance of Salmonella enterica isolates from surface water in Southeastern United States.

    Science.gov (United States)

    Li, Baoguang; Vellidis, George; Liu, Huanli; Jay-Russell, Michele; Zhao, Shaohua; Hu, Zonglin; Wright, Anita; Elkins, Christopher A

    2014-10-01

    A study of prevalence, diversity, and antimicrobial resistance of Salmonella enterica in surface water in the southeastern United States was conducted. A new scheme was developed for recovery of Salmonella from irrigation pond water and compared with the FDA's Bacteriological Analytical Manual (8th ed., 2014) (BAM) method. Fifty-one isolates were recovered from 10 irrigation ponds in produce farms over a 2-year period; nine Salmonella serovars were identified by pulsed-field gel electrophoresis analysis, and the major serovar was Salmonella enterica serovar Newport (S. Newport, n = 29), followed by S. enterica serovar Enteritidis (n = 6), S. enterica serovar Muenchen (n = 4), S. enterica serovar Javiana (n = 3), S. enterica serovar Thompson (n = 2), and other serovars. It is noteworthy that the PulseNet patterns of some of the isolates were identical to those of the strains that were associated with the S. Thompson outbreaks in 2010, 2012, and 2013, S. Enteritidis outbreaks in 2011 and 2013, and an S. Javiana outbreak in 2012. Antimicrobial susceptibility testing confirmed 16 S. Newport isolates of the multidrug resistant-AmpC (MDR-AmpC) phenotype, which exhibited resistance to ampicillin, chloramphenicol, streptomycin, sulfamethoxazole, and tetracycline (ACSSuT), and to the 1st, 2nd, and 3rd generations of cephalosporins (cephalothin, amoxicillin-clavulanic acid, and ceftriaxone). Moreover, the S. Newport MDR-AmpC isolates had a PFGE pattern indistinguishable from the patterns of the isolates from clinical settings. These findings suggest that the irrigation water may be a potential source of contamination of Salmonella in fresh produce. The new Salmonella isolation scheme significantly increased recovery efficiency from 21.2 (36/170) to 29.4% (50/170) (P = 0.0002) and streamlined the turnaround time from 5 to 9 days with the BAM method to 4 days and thus may facilitate microbiological analysis of environmental water. Copyright © 2014, American Society for

  3. Oxidation-state distribution of plutonium in surface and subsurface waters at Thule, northwest Greenland

    International Nuclear Information System (INIS)

    McMahon, C.A.; Leon Vintro, L.; Mitchell, P.I.; Dahlgaard, H.

    2000-01-01

    The speciation of plutonium in Arctic waters sampled on the northwest Greenland shelf in August 1997 is discussed in this paper. Specifically, we report the results of analyses carried out on seawater sampled (a) close to the Thule air base where, in 1968, a US military aircraft carrying four nuclear weapons crashed on sea ice, releasing kilogram quantities of plutonium to the snow pack and underlying seabed sediments, and (b) at a reference station (Upernavik) located ∼400 km to the south. The data show that most of the plutonium in the dissolved phase at Thule is in the form of Pu(V, VI) (mean: 68±6%; n=6), with little if any distinction apparent between surface and bottom waters. Further, the oxidation state distribution at stations close to the accident site is similar to that measured at Upernavik, remote from this site. It is also similar to the distribution observed in shelf waters at mid-latitudes, suggesting that the underlying processes controlling plutonium speciation are insensitive to temperature over the range 0-25 deg. C. Measurements using tangential-flow ultrafiltration indicate that virtually all of the plutonium (including the fraction in a reduced chemical form) is present as fully dissolved species. Most of this plutonium would seem to be of weapons fallout origin, as the mean 238 Pu/ 239,240 Pu activity ratio in the water column (dissolved phase) at Thule (0.06±0.02; n=10) is similar to the global fallout ratio at this latitude (∼0.04). Thus, there is little evidence of weapons-grade plutonium in the water column at Thule at the present time

  4. Mapping land water and energy balance relations through conditional sampling of remote sensing estimates of atmospheric forcing and surface states

    Science.gov (United States)

    Farhadi, Leila; Entekhabi, Dara; Salvucci, Guido

    2016-04-01

    In this study, we develop and apply a mapping estimation capability for key unknown parameters that link the surface water and energy balance equations. The method is applied to the Gourma region in West Africa. The accuracy of the estimation method at point scale was previously examined using flux tower data. In this study, the capability is scaled to be applicable with remotely sensed data products and hence allow mapping. Parameters of the system are estimated through a process that links atmospheric forcing (precipitation and incident radiation), surface states, and unknown parameters. Based on conditional averaging of land surface temperature and moisture states, respectively, a single objective function is posed that measures moisture and temperature-dependent errors solely in terms of observed forcings and surface states. This objective function is minimized with respect to parameters to identify evapotranspiration and drainage models and estimate water and energy balance flux components. The uncertainty of the estimated parameters (and associated statistical confidence limits) is obtained through the inverse of Hessian of the objective function, which is an approximation of the covariance matrix. This calibration-free method is applied to the mesoscale region of Gourma in West Africa using multiplatform remote sensing data. The retrievals are verified against tower-flux field site data and physiographic characteristics of the region. The focus is to find the functional form of the evaporative fraction dependence on soil moisture, a key closure function for surface and subsurface heat and moisture dynamics, using remote sensing data.

  5. Surface Water & Surface Drainage

    Data.gov (United States)

    Earth Data Analysis Center, University of New Mexico — This data set contains boundaries for all surface water and surface drainage for the state of New Mexico. It is in a vector digital data structure digitized from a...

  6. Effect of argon implantation on solid-state dewetting: control of size and surface density of silicon nanocrystals.

    Science.gov (United States)

    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 .

  7. Intrinsic conduction through topological surface states of insulating Bi{sub 2}Te{sub 3} epitaxial thin films

    Energy Technology Data Exchange (ETDEWEB)

    Hoefer, Katharina; Becker, Christoph; Rata, Diana; Thalmeier, Peter; Tjeng, Liu Hao [Max Planck Institute for Chemical Physics of Solids, Dresden (Germany); Swanson, Jesse [Max Planck Institute for Chemical Physics of Solids, Dresden (Germany); University of British Columbia, Vancouver (Canada)

    2015-07-01

    Topological insulators represent a new state of matter that open up new opportunities to create unique quantum particles. Many exciting experiments have been proposed by theory, yet, the main obstacle for their execution is material quality and cleanliness of the experimental conditions. The presence of tiny amounts of defects in the bulk or contaminants at the surface already mask these phenomena. We present the preparation, structural and spectroscopic characterisation of MBE-grown Bi{sub 2}Te{sub 3} thin films that are insulating in the bulk. Moreover, temperature dependent four-point-probe resistivity measurements of the Dirac states on surfaces that are intrinsically clean were conducted. The total amount of surface charge carries is in the order of 10{sup 12} cm{sup -2} and mobilities up to 4600 cm{sup 2}/Vs are observed. Importantly, these results are achieved by carrying out the preparation and characterisation all in-situ under ultra-high-vacuum conditions.

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

    Science.gov (United States)

    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.

  9. Faraday Rotation Due to Surface States in the Topological Insulator (Bi1-xSbx)2Te3.

    Science.gov (United States)

    Shao, Yinming; Post, Kirk W; Wu, Jhih-Sheng; Dai, Siyuan; Frenzel, Alex J; Richardella, Anthony R; Lee, Joon Sue; Samarth, Nitin; Fogler, Michael M; Balatsky, Alexander V; Kharzeev, Dmitri E; Basov, D N

    2017-02-08

    Using magneto-infrared spectroscopy, we have explored the charge dynamics of (Bi,Sb) 2 Te 3 thin films on InP substrates. From the magneto-transmission data we extracted three distinct cyclotron resonance (CR) energies that are all apparent in the broad band Faraday rotation (FR) spectra. This comprehensive FR-CR data set has allowed us to isolate the response of the bulk states from the intrinsic surface states associated with both the top and bottom surfaces of the film. The FR data uncovered that electron- and hole-type Dirac Fermions reside on opposite surfaces of our films, which paves the way for observing many exotic quantum phenomena in topological insulators.

  10. The substrate strain mediated magnetotransport properties of surface states in topological insulators

    Energy Technology Data Exchange (ETDEWEB)

    Ma, Ning, E-mail: maning@stu.xjtu.edu.cn [Department of Physics, MOE Key Laboratory of Advanced Transducers and Intelligent Control System, Taiyuan University of Technology, Taiyuan 030024 (China); Department of Applied Physics, MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, Xi' an Jiaotong University, Xi' an 710049 (China); Zhang, Shengli, E-mail: zhangsl@mail.xjtu.edu.cn [Department of Applied Physics, MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, Xi' an Jiaotong University, Xi' an 710049 (China); Liu, Daqing, E-mail: liudq@cczu.edu.cn [School of Mathematics and Physics, Changzhou University, Changzhou 213164 (China)

    2016-10-14

    Recent experiments reveal that the strained bulk HgTe can be regarded as a three-dimensional topological insulator (TI). We further explore the strain effects on magnetotransport in HgTe at magnetic field. We find that the substrate strain associated with the surface index of carriers, can remove the surfaces degeneracy in Landau levels. This accordingly induces the well separated surface quantum Hall plateaus and Shubnikov–de Haas oscillations. These results can be used to generate and detect surface polarization, not only in HgTe but also in a broad class of TIs, which would be very great news for electronic applications of TIs. - Highlights: • We explore the strain mediated magnetotransport in topological insulators. • We analytically derive the zero frequency magnetoconductivity. • The strain removes the surface degeneracy in Landau levels. • The strain gives rise to the splitting and mixture of Landau levels. • The strain leads to the surface asymmetric spectrum of conductivity.

  11. Investigation of inelastic scattering of ultracold neutrons with small energy transfer at solid state surfaces

    International Nuclear Information System (INIS)

    Lychagin, E.V.; Muzychka, A.Yu.; Nekhaev, G.V.; Strelkov, A.V.; Shvetsov, V.N.; Nesvizhevskij, V.V.; Tal'daev, R.R.

    2001-01-01

    Inelastic scattering of neutrons with small energy transfer of ∼10 -7 eV was investigated using gravitational UCN spectrometer. The probability of such a process at stainless steel and beryllium surfaces was measured. It was also estimated at copper surface. The measurement showed that the detected flux of neutrons scattered at beryllium and copper surfaces is ∼ 2 times higher at room temperature compared to that at the liquid nitrogen temperature. (author)

  12. Surface-hopping trajectories for OH(A{sup 2}Σ{sup +}) + Kr: Extension to the 1A″ state

    Energy Technology Data Exchange (ETDEWEB)

    Perkins, T.; McCrudden, G.; Brouard, M., E-mail: mark.brouard@chem.ox.ac.uk [The Department of Chemistry, The Physical and Theoretical Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QZ (United Kingdom); Herráez-Aguilar, D.; Aoiz, F.J., E-mail: aoiz@quim.ucm.es [Departamento de Química Física, Facultad de Química, Universidad Complutense, 28040 Madrid (Spain); Kłos, J., E-mail: jklos@umd.edu [Department of Chemistry and Biochemistry, University of Maryland, College Park, Maryland 20742 (United States)

    2015-04-14

    We present a new trajectory surface hopping study of the rotational energy transfer and collisional quenching of electronically excited OH(A) radicals by Kr. The trajectory surface hopping calculations include both electronic coupling between the excited 2{sup 2}A′ and ground 1{sup 2}A′ electronic states, as well as Renner-Teller and Coriolis roto-electronic couplings between the 1{sup 2}A′ and 1{sup 2}A″, and the 2{sup 2}A′ and 1{sup 2}A″ electronic states, respectively. The new calculations are shown to lead to a noticeable improvement in the agreement between theory and experiment in this system, particularly with respect to the OH(X) rotational and Λ-doublet quantum state populations, compared with a simpler two-state treatment, which only included the electronic coupling between the 2{sup 2}A′ and 1{sup 2}A′ states. Discrepancies between the predictions of theory and experiment do however remain, and could arise either due to errors in the potential energy surfaces and couplings employed, or due to the limitations in the classical treatment of non-adiabatic effects.

  13. Symmetry conditions of a nodal superconductor for generating robust flat-band Andreev bound states at its dirty surface

    Science.gov (United States)

    Ikegaya, Satoshi; Kobayashi, Shingo; Asano, Yasuhiro

    2018-05-01

    We discuss the symmetry property of a nodal superconductor that hosts robust flat-band zero-energy states at its surface under potential disorder. Such robust zero-energy states are known to induce the anomalous proximity effect in a dirty normal metal attached to a superconductor. A recent study has shown that a topological index NZES describes the number of zero-energy states at the dirty surface of a p -wave superconductor. We generalize the theory to clarify the conditions required for a superconductor that enables NZES≠0 . Our results show that NZES≠0 is realized in a topological material that belongs to either the BDI or CII class. We also present two realistic Hamiltonians that result in NZES≠0 .

  14. A Solid-State Deuterium NMR and SFG Study of the Side Chain Dynamics of Peptides Adsorbed onto Surfaces

    Science.gov (United States)

    Breen, Nicholas F.; Weidner, Tobias; Li, Kun; Castner, David G.; Drobny, Gary P.

    2011-01-01

    The artificial amphiphilic peptide LKα14 adopts a helical structure at interfaces, with opposite orientation of its leucine (L, hydrophobic) and lysine (K, hydrophilic) side chains. When adsorbed onto surfaces, different residue side chains necessarily have different proximities to the surface, depending on both their position in the helix and the composition of the surface itself. Deuterating the individual leucine residues (isopropyl-d7) permits the use of solid-state deuterium NMR as a site-specific probe of side chain dynamics. In conjunction with SFG as a probe of the peptide binding face, we demonstrate that the mobility of specific leucine side chains at the interface is quantifiable in terms of their surface proximity. PMID:19764755

  15. a model study of surface state on optical bandgap of silicon nanowires

    African Journals Online (AJOL)

    Dr A.B.Ahmed

    Science World Journal Vol 10 (No 4) 2015 ... *1Department of Physics, Faculty of Science, Kaduna State University, P.M.B 2339, Kaduna State, Nigeria. 2Department of Applied ... application in electronic and optoelectronic devices. In addition.

  16. Memorandum of Understanding on Surface Coal Mining Operations Resulting in Placement of Excess Spoil Fills in the Waters of the United States

    Science.gov (United States)

    MOU on Surface Coal Mining Operations establishes a process for improving coordination in the review of permit applications required for surface coal mining and reclamation in waters of the United States

  17. Prediction of viscosities and surface tensions of fuels using a new corresponding states model

    DEFF Research Database (Denmark)

    Queimada, A.J.; Rolo, L.I.; Caco, A.I.

    2006-01-01

    While some properties of diesels are cheap, easy and fast to measure, such as densities, others such as surface tensions and viscosities are expensive and time consuming. A new approach that uses some basic information such as densities to predict viscosities and surface tensions is here proposed......) 2005 Elsevier Ltd. All rights reserved....

  18. The surface tension of pure liquids. Thermodynamic components and corresponding states

    NARCIS (Netherlands)

    Lyklema, J.

    1999-01-01

    From the temperature dependency of surface and interfacial tensions the surface excess energy and entropy per unit area can be obtained. The excess energy is a liquid-specific property; it varies over about three decades between liquid helium and molten metals. On the other hand, the excess entropy

  19. Hot-electron-mediated desorption rates calculated from excited-state potential energy surfaces

    DEFF Research Database (Denmark)

    Olsen, Thomas; Gavnholt, Jeppe; Schiøtz, Jakob

    2009-01-01

    We present a model for desorption induced by (multiple) electronic transitions [DIET (DIMET)] based on potential energy surfaces calculated with the delta self-consistent field extension of density-functional theory. We calculate potential energy surfaces of CO and NO molecules adsorbed on variou...

  20. Ab-initio investigation of structural, electronic and optical properties BSb compound in bulk and surface (110 states

    Directory of Open Access Journals (Sweden)

    H A Badehian

    2015-07-01

    Full Text Available In recent work the structural, electronic and optical properties of BSb compound in bulk and surface (110 states have been studied. Calculations have been performed using Full-Potential Augmented Plane Wave (FP-LAPW method by WIEN2k code in Density Functional Theory (DFT framework. The structural properties of the bulk such as lattice constant, bulk module and elastic constants have been investigated using four different approximations. The band gap energy of the bulk and the (110 surface of BSb were obtained about 1.082 and 0.38 eV respectively. Moreover the surface energy, the work function, the surface relaxation, surface state and the band structure of BSb (110 were investigated using symmetric and stoichiometric 15 layers slabs with the vacuum of 20 Bohr. In addition, the real and imaginary parts of the dielectric function of the bulk and the BSb (110 slab were calculated and compared to each other. Our obtained results have a good agreement with the available results.

  1. Response of the Shockley surface state on Cu(111) to an external electrical field: A density-functional theory study

    Science.gov (United States)

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

    2011-03-01

    We study the response of the Cu(111) Shockley surface state to an external electrical field E by combining a density-functional theory calculation for a finite slab geometry with an analysis of the Kohn-Sham wavefunctions to obtain a well-converged characterization. We find that the surface state displays isotropic dispersion, quadratic until the Fermi wave vector but with a significant quartic contribution beyond. We find that the shift in band minimum and effective mass depend linearly on E. Most change in electrostatic potential profile, and charge transfer occurs outside the outermost copper atoms, and most of the screening is due to bulk electrons. Our analysis is facilitated by a method used to decouple the Kohn-Sham states due to the finite slab geometry, using a rotation in Hilbert space. We discuss applications to tuning the Fermi wavelength and so the many patterns attributed to metallic surface states. Supported by (KB and PH) Swedish Vetenskapsrådet VR 621-2008-4346 and (TLE) NSF CHE 07-50334 & UMD MRSEC DMR 05-20471.

  2. Estimation of surface temperature by using inverse problem. Part 1. Steady state analyses of two-dimensional cylindrical system

    International Nuclear Information System (INIS)

    Takahashi, Toshio; Terada, Atsuhiko

    2006-03-01

    In the corrosive process environment of thermochemical hydrogen production Iodine-Sulfur process plant, there is a difficulty in the direct measurement of surface temperature of the structural materials. An inverse problem method can effectively be applied for this problem, which enables estimation of the surface temperature using the temperature data at the inside of structural materials. This paper shows analytical results of steady state temperature distributions in a two-dimensional cylindrical system cooled by impinging jet flow, and clarifies necessary order of multiple-valued function from the viewpoint of engineeringly satisfactory precision. (author)

  3. Analytical modeling of AlGaN/AlN/GaN heterostructures including effects of distributed surface donor states

    Energy Technology Data Exchange (ETDEWEB)

    Goyal, Nitin, E-mail: nitin@unik.no [Carinthian Tech Research CTR AG, Europastraße 4/1, Technologiepark Villach, A-9524 Villach/St. Magdalen (Austria); Department of Electronics and Telecommunication, Norwegian University of Science and Technology, Trondheim NO7034 (Norway); Fjeldly, Tor A. [Department of Electronics and Telecommunication, Norwegian University of Science and Technology, Trondheim NO7034 (Norway)

    2014-07-14

    In this paper, a physics based analytical model is presented for calculation of the two-dimensional electron gas density and the bare surface barrier height of AlGaN/AlN/GaN material stacks. The presented model is based on the concept of distributed surface donor states and the self-consistent solution of Poisson equation at the different material interfaces. The model shows good agreement with the reported experimental data and can be used for the design and characterization of advanced GaN devices for power and radio frequency applications.

  4. Stress state of transversally isotropic body with elliptical crack in the presence of a uniform heat flux at its surface

    International Nuclear Information System (INIS)

    Podil'chuk, Yu.N.

    1995-01-01

    An explicit solution of the state thermoelasticity problem is constructed for an infinite transversally isotropic body containing an internal elliptical crack in the isotropy plane. It is assumed that a uniform heat flux is specified at the crack surface and the body is free of external loads. Values of the stress-intensity coefficients depending on the heat flux, the crack dimensions, and the thermoelastic properties of the material are obtained. Note that the analogous problem was considered for an isotropic body. The static thermoelasticity problem for a transversally isotropic body with an internal elliptical crack at whose surface linear temperature variation is specified was solved

  5. The effect of cerium valence states at cerium oxide nanoparticle surfaces on cell proliferation

    KAUST Repository

    Naganuma, Tamaki; Traversa, Enrico

    2014-01-01

    Understanding and controlling cell proliferation on biomaterial surfaces is critical for scaffold/artificial-niche design in tissue engineering. The mechanism by which underlying integrin ligates with functionalized biomaterials to induce cell

  6. Effects of surface states on device and interconnect isolation in GaAs MESFET and InP MISFET integrated circuits

    International Nuclear Information System (INIS)

    Hasegawa, H.; Kitagawa, T.; Masuda, H.; Yano, H.; Ohno, H.

    1985-01-01

    Surface electrical breakdown and side-gating which cause failure of device and interconnect isolation are investigated for GaAs MESFET and InP MISFET integrated circuit structures. Striking differences in behavior are observed between GaAs and InP as regards to the surface conduction, surface breakdown and side-gating. These differences are shown to be related to the surface state properties of the insulator-semiconductor interface. In GaAs, high density of surface states rather than bulk trap states control the surface I-V characteristics and side-gating, causing serious premature avalanche breakdown and triggering side-gating at a low nominal field intensity of 1-3 kV/cm. On the other hand, InP MISFET integrated circuits are virtually free from these premature breakdown and side-gating effect under normal dark operating condition because of very low surface state density

  7. Tooth surface loss, prevalence and associated risk factors among 12-14 years school children in Khartoum State, Sudan.

    Science.gov (United States)

    Sanhouri, N M; Ziada, H M; Ahmed, G I; Kamis, A H

    2010-12-01

    Investigate Tooth Surface Loss TSL, among 12-14 years school children in Khartoum State, Sudan; evaluate pattern, severity and determine relationship between TSL, dietary habits and socio-economical status. Cross sectional survey among primary public and private schools. Cluster sample of 1,138 12 to 14-year old students from both public and private school. Mild and moderate TSL was measured on buccal, lingual/palatal surfaces of maxillary and mandibular incisors and canines and occlusal, buccal, lingual/palatal surfaces of maxillary and mandibular premolars and molars. Surfaces scored according to criterion described by the National Survey of Child Dental Health. The prevalence of TSL was found to be 74%. Mild and moderate TSL was detected on palatal surfaces of maxillary central incisors followed by occlusal surfaces of mandibular molars. TSL into the pulp was not detected. A high prevalence of 74% was found with mild and moderate TSL with no pulpal involvement. There was an association between consumption of erosive foods and the prevalence of TSL. Socio-economic status and gender did not present significant differences.

  8. Modeling of Surface Geometric Structure State After Integratedformed Milling and Finish Burnishing

    Science.gov (United States)

    Berczyński, Stefan; Grochała, Daniel; Grządziel, Zenon

    2017-06-01

    The article deals with computer-based modeling of burnishing a surface previously milled with a spherical cutter. This method of milling leaves traces, mainly asperities caused by the cutting crossfeed and cutter diameter. The burnishing process - surface plastic treatment - is accompanied by phenomena that take place right in the burnishing ball-milled surface contact zone. The authors present the method for preparing a finite element model and the methodology of tests for the assessment of height parameters of a surface geometrical structure (SGS). In the physical model the workpieces had a cuboidal shape and these dimensions: (width × height × length) 2×1×4.5 mm. As in the process of burnishing a cuboidal workpiece is affected by plastic deformations, the nonlinearities of the milled item were taken into account. The physical model of the process assumed that the burnishing ball would be rolled perpendicularly to milling cutter linear traces. The model tests included the application of three different burnishing forces: 250 N, 500 N and 1000 N. The process modeling featured the contact and pressing of a ball into the workpiece surface till the desired force was attained, then the burnishing ball was rolled along the surface section of 2 mm, and the burnishing force was gradually reduced till the ball left the contact zone. While rolling, the burnishing ball turned by a 23° angle. The cumulative diagrams depict plastic deformations of the modeled surfaces after milling and burnishing with defined force values. The roughness of idealized milled surface was calculated for the physical model under consideration, i.e. in an elementary section between profile peaks spaced at intervals of crossfeed passes, where the milling feed fwm = 0.5 mm. Also, asperities after burnishing were calculated for the same section. The differences of the obtained values fall below 20% of mean values recorded during empirical experiments. The adopted simplification in after

  9. New ab initio potential surfaces and three-dimensional quantum dynamics for transition state spectroscopy in ozone photodissociation

    Science.gov (United States)

    Yamashita, Koichi; Morokuma, Keiji; Le Quéré, Frederic; Leforestier, Claude

    1992-04-01

    New ab initio potential energy surfaces (PESs) of the ground and B ( 1B 2) states of ozone have been calculated with the CASSCF-SECI/DZP method to describe the three-dimensional photodissociation process. The dissociation energy of the ground state and the vertical barrier height of the B PES are obtained to be 0.88 and 1.34 eV, respectively, in better agreement with the experimental values than the previous calculation. The photodissociation autocorrelation function, calculated on the new B PES, based on exact three-dimensional quantum dynamics, reproduces well the main recurrence feature extracted from the experimental spectra.

  10. Charge loss experiments in surface channel CCD's explained by the McWhorter interface states model

    NARCIS (Netherlands)

    Penning De Vries, R.G.M.; Wallinga, Hans

    1985-01-01

    On the basis of the McWhorter interface states model the CCD charge loss is derived as a function of bias charge, signal charge and channel width. As opposed to existing models, the charge loss is now attributed to interface states in the entire gate area, even for high bias charge levels.

  11. The interaction of MnH(X 7Sigma+) with He: ab initio potential energy surface and bound states.

    Science.gov (United States)

    Turpin, Florence; Halvick, Philippe; Stoecklin, Thierry

    2010-06-07

    The potential energy surface of the ground state of the He-MnH(X (7)Sigma(+)) van der Waals complex is presented. Within the supermolecular approach of intermolecular energy calculations, a grid of ab initio points was computed at the multireference configuration interaction level using the aug-cc-pVQZ basis set for helium and hydrogen and the relativistic aug-cc-pVQZ-DK basis set for manganese. The potential energy surface was then fitted to a global analytical form which main features are discussed. As a first application of this potential energy surface, we present accurate calculations of bound energy levels of the (3)He-MnH and (4)He-MnH complexes.

  12. The interaction of MnH(X 7Σ+) with He: Ab initio potential energy surface and bound states

    Science.gov (United States)

    Turpin, Florence; Halvick, Philippe; Stoecklin, Thierry

    2010-06-01

    The potential energy surface of the ground state of the He-MnH(X Σ7+) van der Waals complex is presented. Within the supermolecular approach of intermolecular energy calculations, a grid of ab initio points was computed at the multireference configuration interaction level using the aug-cc-pVQZ basis set for helium and hydrogen and the relativistic aug-cc-pVQZ-DK basis set for manganese. The potential energy surface was then fitted to a global analytical form which main features are discussed. As a first application of this potential energy surface, we present accurate calculations of bound energy levels of the H3e-MnH and H4e-MnH complexes.

  13. Simulation of the photodynamics of azobenzene on its first excited state: Comparison of full multiple spawning and surface hopping treatments

    International Nuclear Information System (INIS)

    Toniolo, A.; Ciminelli, C.; Persico, M.; Martinez, T.J.

    2005-01-01

    We have studied the cis→trans and trans→cis photoisomerization of azobenzene after n→π* excitation using the full multiple spawning (FMS) method for nonadiabatic wave-packet dynamics with potential-energy surfaces and couplings determined 'on the fly' from a reparametrized multiconfigurational semiempirical method. We compare the FMS results with a previous direct dynamics treatment using the same potential-energy surfaces and couplings, but with the nonadiabatic dynamics modeled using a semiclassical surface hopping (SH) method. We concentrate on the dynamical effects that determine the photoisomerization quantum yields, namely, the rate of radiationless electronic relaxation and the character of motion along the reaction coordinate. The quantal and semiclassical results are in good general agreement, confirming our previous analysis of the photodynamics. The SH method slightly overestimates the rate of excited state decay, leading in this case to lower quantum yields

  14. Projections of Declining Surface-Water Availability for the Southwestern United States

    Science.gov (United States)

    Seager, Richard; Ting, Mingfang; Li, Cuihua; Naik, Naomi; Cook, Benjamin; Nakamura, Jennifer; Liu, Haibo

    2012-01-01

    16 of the CMIP5 models had all the data needed for this work for at least one simulation that was continuous from 1950 to 2040. Details of the models analyzed here are provided in Table S1. The model data analyzed here are available at http://strega.ldeo.columbia.edu:81/expert/home/.naomi/.AR5/.v2/.historical:rcp85/.mmm16/ a. Assessing the climatology of the models Despite increases in horizontal resolution of many models compared to their CMIP3 counterparts none of these models can adequately resolve the topography of the south west United States, such as the Sierra Nevada and Rocky Mountains and the associated orographic precipitation. This requires that caution be used when interpreting the results presented here. To assess the ability of the models to simulate the current hydroclimate, in Figure S1 we show the observed (from the Global Precipitation Climatology Centre gridded rain gauge data, (1)) monthly climatology of precipitation and the same for all the models and the multimodel mean for the California-Nevada, Colorado headwaters and Texas regions. The GPCC data uses rain gauges only and interpolates to regular grids of which we used the 1? by 1? one. Details of the data set can be found in (2). While the models apparently overestimate precipitation in California and Nevada the seasonal cycle with wet winters and dry summers is very well represented. It is also possible that the rain gauge observations are biased low by inadequately sampling the higher mountain regions. How ever the models might also be expected to underestimate orographic precipitation due to inadequate horizontal resolution. The 25 models are also too wet in the Colorado headwaters region but correctly represent the quite even distribution though the year. The bimodal distribution of precipitation in Texas, with peaks in May and September, and the absolute amounts, are well modeled but with the September peak too weak. The positive precipitation bias translates into a positive runoff

  15. Effect of Equal Channel Angular Pressing on the Surface Roughness of Solid State Recycled Aluminum Alloy 6061 Chips

    Directory of Open Access Journals (Sweden)

    Adel Taha Abbas

    2017-01-01

    Full Text Available Solid state recycling through hot extrusion is a promising technique to recycle machining chips without remelting. Furthermore, equal channel angular pressing (ECAP technique coupled with the extruded recycled billet is introduced to enhance the mechanical properties of recycled samples. In this paper, the surface roughness of solid state recycled aluminum alloy 6061 turning chips was investigated. Aluminum chips were cold compacted and hot extruded under an extrusion ratio (ER of 5.2 at an extrusion temperature (ET of 425°C. In order to improve the properties of the extruded samples, they were subjected to ECAP up to three passes at room temperature using an ECAP die with a channel die angle (Φ of 90°. Surface roughness (Ra and Rz of the processed recycled billets machined by turning was investigated. Box-Behnken experimental design was used to investigate the effect of three machining parameters (cutting speed, feed rate, and depth of cut on the surface roughness of the machined specimens for four materials conditions, namely, extruded billet and postextrusion ECAP processed billets to one, two, and three passes. Quadratic models were developed to relate the machining parameters to surface roughness, and a multiobjective optimization scheme was conducted to maximize material removal rate while maintaining the roughness below a preset practical value.

  16. Surface state of the wire electrode and its influence on the application characteristics in MAG welding

    International Nuclear Information System (INIS)

    Piffer, W.; Marques, P.V.; Modenesi, P.J.

    1997-01-01

    This work presents an evaluation of the effect of the surface condition of the wire on GMA welding performance. Three wires samples were produced from the same steel heat with different surface conditions. Short circuit transfer welding trials were performed for two wire feed rates and different voltage levels. These tests indicated that stability tended to be worse and spatter level higher for the lowest and the highest welding voltage operation and the wire with no copper coating. No major difference was observed for intermediate voltage operation. Scanning electron microscopy of contact tips suggested that cooper coated wires produced less erosion on the tips. Electrical resistance of wires and friction forces between wires and contact tip were also evaluated and used to analyze differences in influence of wire surface condition on welding results. (Author) 14 refs

  17. Modulating the Surface State of SiC to Control Carrier Transport in Graphene/SiC.

    Science.gov (United States)

    Jia, Yuping; Sun, Xiaojuan; Shi, Zhiming; Jiang, Ke; Liu, Henan; Ben, Jianwei; Li, Dabing

    2018-05-28

    Silicon carbide (SiC) with epitaxial graphene (EG/SiC) shows a great potential in the applications of electronic and photoelectric devices. The performance of devices is primarily dependent on the interfacial heterojunction between graphene and SiC. Here, the band structure of the EG/SiC heterojunction is experimentally investigated by Kelvin probe force microscopy. The dependence of the barrier height at the EG/SiC heterojunction to the initial surface state of SiC is revealed. Both the barrier height and band bending tendency of the heterojunction can be modulated by controlling the surface state of SiC, leading to the tuned carrier transport behavior at the EG/SiC interface. The barrier height at the EG/SiC(000-1) interface is almost ten times that of the EG/SiC(0001) interface. As a result, the amount of carrier transport at the EG/SiC(000-1) interface is about ten times that of the EG/SiC(0001) interface. These results offer insights into the carrier transport behavior at the EG/SiC heterojunction by controlling the initial surface state of SiC, and this strategy can be extended in all devices with graphene as the top layer. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Variable Structure Disturbance Rejection Control for Nonlinear Uncertain Systems with State and Control Delays via Optimal Sliding Mode Surface Approach

    Directory of Open Access Journals (Sweden)

    Jing Lei

    2013-01-01

    Full Text Available The paper considers the problem of variable structure control for nonlinear systems with uncertainty and time delays under persistent disturbance by using the optimal sliding mode surface approach. Through functional transformation, the original time-delay system is transformed into a delay-free one. The approximating sequence method is applied to solve the nonlinear optimal sliding mode surface problem which is reduced to a linear two-point boundary value problem of approximating sequences. The optimal sliding mode surface is obtained from the convergent solutions by solving a Riccati equation, a Sylvester equation, and the state and adjoint vector differential equations of approximating sequences. Then, the variable structure disturbance rejection control is presented by adopting an exponential trending law, where the state and control memory terms are designed to compensate the state and control delays, a feedforward control term is designed to reject the disturbance, and an adjoint compensator is designed to compensate the effects generated by the nonlinearity and the uncertainty. Furthermore, an observer is constructed to make the feedforward term physically realizable, and thus the dynamical observer-based dynamical variable structure disturbance rejection control law is produced. Finally, simulations are demonstrated to verify the effectiveness of the presented controller and the simplicity of the proposed approach.

  19. Spin polarized electronic states and spin textures at the surface of oxygen-deficient SrTiO3

    Science.gov (United States)

    Jeschke, Harald O.; Altmeyer, Michaela; Rozenberg, Marcelo; Gabay, Marc; Valenti, Roser

    We investigate the electronic structure and spin texture at the (001) surface of SrTiO3 in the presence of oxygen vacancies by means of ab initio density functional theory (DFT) calculations of slabs. Relativistic non-magnetic DFT calculations exhibit Rashba-like spin winding with a characteristic energy scale ~ 10 meV. However, when surface magnetism on the Ti ions is included, bands become spin-split with an energy difference ~ 100 meV at the Γ point. This energy scale is comparable to the observations in SARPES experiments performed on the two-dimensional electronic states confined near the (001) surface of SrTiO3. We find the spin polarized state to be the ground state of the system, and while magnetism tends to suppress the effects of the relativistic Rashba interaction, signatures of it are still clearly visible in terms of complex spin textures. We gratefully acknowledge financial support from the Deutsche Forschungsgemeinschaft through grants SFB/TR 49 and FOR 1346.

  20. Influence of surface states on deep level transient spectroscopy in AlGaN/GaN heterostructure

    International Nuclear Information System (INIS)

    Zhu Qing; Ma Xiao-Hua; Chen Wei-Wei; Hou Bin; Zhu Jie-Jie; Zhang Meng; Chen Li-Xiang; Cao Yan-Rong; Hao Yue

    2016-01-01

    Deep level transient spectroscopy (DLTS) as a method to investigate deep traps in AlGaN/GaN heterostructure or high electron mobility transistors (HEMTs) has been widely utilized. The DLTS measurements under different bias conditions are carried out in this paper. Two hole-like traps with active energies of E v + 0.47 eV, and E v + 0.10 eV are observed, which are related to surface states. The electron traps with active energies of E c − 0.56 eV are located in the channel, those with E c − 0.33 eV and E c − 0.88 eV are located in the AlGaN layer. The presence of surface states has a strong influence on the detection of electron traps, especially when the electron traps are low in density. The DLTS signal peak height of the electron trap is reduced and even disappears due to the presence of plentiful surface state. (paper)

  1. Thermoelectric properties of 3D topological insulator: Direct observation of topological surface and its gap opened states

    Science.gov (United States)

    Matsushita, Stephane Yu; Huynh, Khuong Kim; Yoshino, Harukazu; Tu, Ngoc Han; Tanabe, Yoichi; Tanigaki, Katsumi

    2017-10-01

    We report thermoelectric (TE) properties of topological surface Dirac states (TSDS) in three-dimensional topological insulators (3D-TIs) purely isolated from the bulk by employing single-crystal B i2 -xS bxT e3 -yS ey films epitaxially grown in the ultrathin limit. Two intrinsic nontrivial topological surface states, a metallic TSDS (m-TSDS) and a gap-opened semiconducting topological state (g-TSDS), are successfully observed by electrical transport, and important TE parameters [electrical conductivity (σ), thermal conductivity (κ), and thermopower (S )] are accurately determined. Pure m-TSDS gives S =-44 μ V K-1 , which is an order of magnitude higher than those of the conventional metals and the value is enhanced to -212 μ V K-1 for g-TSDS. It is clearly shown that the semiclassical Boltzmann transport equation (SBTE) in the framework of constant relaxation time (τ) most frequently used for conventional analysis cannot be valid in 3D-TIs and strong energy dependent relaxation time τ(E ) beyond the Born approximation is essential for making intrinsic interpretations. Although σ is protected on the m-TSDS, κ is greatly influenced by the disorder on the topological surface, giving a dissimilar effect between topologically protected electronic conduction and phonon transport.

  2. Effect of surface states of layered double hydroxides on conductive and transport properties of nanocomposite polymer electrolytes

    International Nuclear Information System (INIS)

    Liao, C.-S.; Ye, W.-B.

    2004-01-01

    All solid-state poly(ethylene oxide) (PEO) nanocomposite electrolytes were made containing nanoscale fillers of layered double hydroxides (LDHs). Two kinds of LDHs with different surface states were prepared by aqueous co-precipitation method. The LDHs were added into PEO matrix to study the structures, conductivities and ionic transport properties of nanocomposite electrolytes. The structures of LDHs were characterized by infrared spectra, thermogravimetric analysis and wide-angle X-ray diffraction. With enhanced compatibility of LDH sheets by oligo(ethylene oxide) surface modification, the PEO/OMLDH nanocomposite electrolyte exhibits an amorphous morphology and an enhancement of conductivity by three orders of magnitude as compared to pure PEO electrolyte. The lithium ion transference number T Li + of PEO/LDH nanocomposite electrolyte measured with a value of 0.42 is two times higher than the one of pure PEO electrolyte, which can be attributed to the Lewis acid-base interaction between surface states of metal hydroxides and counter anions of lithium salts

  3. The Human Acid-Sensing Ion Channel ASIC1a: Evidence for a Homotetrameric Assembly State at the Cell Surface.

    Directory of Open Access Journals (Sweden)

    Miguel Xavier van Bemmelen

    Full Text Available The chicken acid-sensing ion channel ASIC1 has been crystallized as a homotrimer. We address here the oligomeric state of the functional ASIC1 in situ at the cell surface. The oligomeric states of functional ASIC1a and mutants with additional cysteines introduced in the extracellular pore vestibule were resolved on SDS-PAGE. The functional ASIC1 complexes were stabilized at the cell surface of Xenopus laevis oocytes or CHO cells either using the sulfhydryl crosslinker BMOE, or sodium tetrathionate (NaTT. Under these different crosslinking conditions ASIC1a migrates as four distinct oligomeric states that correspond by mass to multiples of a single ASIC1a subunit. The relative importance of each of the four ASIC1a oligomers was critically dependent on the availability of cysteines in the transmembrane domain for crosslinking, consistent with the presence of ASIC1a homo-oligomers. The expression of ASIC1a monomers, trimeric or tetrameric concatemeric cDNA constructs resulted in functional channels. The resulting ASIC1a complexes are resolved as a predominant tetramer over the other oligomeric forms, after stabilization with BMOE or NaTT and SDS-PAGE/western blot analysis. Our data identify a major ASIC1a homotetramer at the surface membrane of the cell expressing functional ASIC1a channel.

  4. Effect of surface state on the oxidation behavior of welded 308L in simulated nominal primary water of PWR

    Science.gov (United States)

    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.

  5. Direct observation of spin-resolved full and empty electron states in ferromagnetic surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Berti, G., E-mail: giulia.berti@polimi.it; Calloni, A.; Brambilla, A.; Bussetti, G.; Duò, L.; Ciccacci, F. [Dipartimento di Fisica, Politecnico di Milano, Piazza Leonardo da Vinci 32, I-20133, Milano (Italy)

    2014-07-15

    We present a versatile apparatus for the study of ferromagnetic surfaces, which combines spin-polarized photoemission and inverse photoemission spectroscopies. Samples can be grown by molecular beam epitaxy and analyzed in situ. Spin-resolved photoemission spectroscopy analysis is done with a hemispherical electron analyzer coupled to a 25 kV-Mott detector. Inverse photoemission spectroscopy experiments are performed with GaAs crystals as spin-polarized electron sources and a UV bandpass photon detector. As an example, measurements on the oxygen passivated Fe(100)-p(1×1)O surface are presented.

  6. Study on the state of a surface of compounds of vanadium with light elements

    International Nuclear Information System (INIS)

    Povstugar, V.I.; Mikhajlova, S.S.; Trapeznikov, V.A.

    1976-01-01

    Roentgenoelectron study of powderlike compounds of vanadium with light elements (C, N, O, S) was carried out. The study was made in the temperature range of 70-500 deg C. The results were obtained in an electron magnetic spectrometer. Spectra of inner levels O 1S and V 2p and valance bands are presented. The experimental results can be employed for the study of synthesis problems of the given class of compounds. Due to high surface activity the study of catalytic properties of finely dispersed vanadium compounds by roentgenoelectron spectroscopy method gives much information about surface processes

  7. Effect of surface states on electrical characteristic of metal - insulator - semiconductor (MIS) diodes

    International Nuclear Information System (INIS)

    Altindal, S.; Doekme, I.; Tataroglu, A.; Sahingoez, R.

    2002-01-01

    The current-voltage (I-V) characteristics of Metal-Insulator-Semiconductor (MIS) Schottky barrier diodes which is consider distribution of interface states in equilibrium with semiconductor were determined at two (low and high) temperature. The interface states were responsible for non-ideal behavior of the forward I-V characteristic of diodes. Both diodes (n and p type Si) showed non-ideal behavior with an ideality factor 1.6 and 1.85 respectively at room temperature. The higher values of n-type Si were attributed to an order of magnitude higher density of interface states in the both diodes. The effect of an interfacial insulator layer between the metal and semiconductor are also studied. The high density of interface states also caused a reduction in the barrier height of the MIS diode. It is shown that by using Norde function at low and high temperature, barrier height □ b , series resistance R s and ideality factor n can be determined even in the case 1 s obtained from Norde function strongly depend on temperature, and decrease with increasing temperature. In addition, the potential barrier height increases with increasing temperature. The mean density of interface states N ss decreases with increasing temperature. Particularly at low temperature the I-V characteristics are controlled by interface states density

  8. The Role of the Mean State of Arctic Sea Ice on Near-Surface Temperature Trends

    NARCIS (Netherlands)

    Linden, van der E.C.; Bintanja, R.; Hazeleger, W.; Katsman, C.A.

    2014-01-01

    Century-scale global near-surface temperature trends in response to rising greenhouse gas concentrations in climate models vary by almost a factor of 2, with greatest intermodel spread in the Arctic region where sea ice is a key climate component. Three factors contribute to the intermodel spread:

  9. Controllable magnetic doping of the surface state of a topological insulator

    DEFF Research Database (Denmark)

    Schlenk, T.; Bianchi, M.; Koleini, Mohammad

    2013-01-01

    A combined experimental and theoretical study of doping individual Fe atoms into Bi2Se3 is presented. It is shown through a scanning tunneling microscopy study that single Fe atoms initially located at hollow sites on top of the surface (adatoms) can be incorporated into subsurface layers by ther...

  10. Micro-strain, dislocation density and surface chemical state analysis of multication thin films

    Energy Technology Data Exchange (ETDEWEB)

    Jayaram, P., E-mail: jayarampnair@gmail.com [Department of Physics, MES Ponnani College Ponnani, Kerala (India); Pradyumnan, P.P. [Department of Physics, University of Calicut, Kerala 673 635 (India); Karazhanov, S.Zh. [Department for Solar Energy, Institute for Energy Technology, Kjeller (Norway)

    2016-11-15

    Multication complex metal oxide thin films are rapidly expanding the class of materials with many technologically important applications. Herein this work, the surface of the pulsed laser deposited thin films of Zn{sub 2}SnO{sub 4} and multinary compounds obtained by substitution/co-substitution of Sn{sup 4+} with In{sup 3+} and Ga{sup 3+} are studied by X-ray photoelectron emission spectroscopy (X-PES) method. Peaks corresponding to the elements of Zn, Sn, Ga, In and O on the film surface has been identified and contribution of the elements has been studied by the computer aided surface analysis (CASA) software. Binding energies, full-width at half maximum (FWHM), spin-orbit splitting energies, asymmetric peak-shape fitting parameters and quantification of elements in the films are discussed. Studies of structural properties of the films by x-ray diffraction (XRD) technique showed inverse spinel type lattice with preferential orientation. Micro-strain, dislocation density and crystallite sizes in the film surface have been estimated.

  11. Development of corresponding states model for estimation of the surface tension of chemical compounds

    DEFF Research Database (Denmark)

    Gharagheizi, Farhad; Eslamimanesh, Ali; Sattari, Mehdi

    2013-01-01

    include critical temperature or temperature/critical volume/acentric factor/critical pressure/reduced temperature/reduced normal boiling point temperature/molecular weight of the compounds. Around 1,300 surface tension data of 118 random compounds are used for developing the first model (a four...

  12. The protonation state of small carboxylic acids at the water surface from photoelectron spectroscopy

    Czech Academy of Sciences Publication Activity Database

    Ottosson, N.; Wernersson, Erik; Söderström, J.; Pokapanich, W.; Kaufmann, S.; Svensson, S.; Persson, I.; Öhrwall, G.; Björneholm, O.

    2011-01-01

    Roč. 13, č. 26 (2011), s. 12261-12267 ISSN 1463-9076 Institutional research plan: CEZ:AV0Z40550506 Keywords : water surface * carboxylic acids * photoelectron spectroscopy Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.573, year: 2011

  13. Application of powerful quasi-steady-state plasma accelerators for simulation of ITER transient heat loads on divertor surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Tereshin, V I [Institute of Plasma Physics of the NSC KIPT, Kharkov 61108 (Ukraine); Bandura, A N [Institute of Plasma Physics of the NSC KIPT, Kharkov 61108 (Ukraine); Byrka, O V [Institute of Plasma Physics of the NSC KIPT, Kharkov 61108 (Ukraine); Chebotarev, V V [Institute of Plasma Physics of the NSC KIPT, Kharkov 61108 (Ukraine); Garkusha, I E [Institute of Plasma Physics of the NSC KIPT, Kharkov 61108 (Ukraine); Landman, I [Forschungszentrum Karlsruhe, IHM, Karlsruhe 76021 (Germany); Makhlaj, V A [Institute of Plasma Physics of the NSC KIPT, Kharkov 61108 (Ukraine); Neklyudov, I M [Institute of Plasma Physics of the NSC KIPT, Kharkov 61108 (Ukraine); Solyakov, D G [Institute of Plasma Physics of the NSC KIPT, Kharkov 61108 (Ukraine); Tsarenko, A V [Institute of Plasma Physics of the NSC KIPT, Kharkov 61108 (Ukraine)

    2007-05-15

    The paper presents the investigations of high power plasma interaction with material surfaces under conditions simulating the ITER disruptions and type I ELMs. Different materials were exposed to plasma with repetitive pulses of 250 {mu}s duration, the ion energy of up to 0.6 keV, and the heat loads varying in the 0.5-25 MJ m{sup -2} range. The plasma energy transfer to the material surface versus impact load has been analysed. The fraction of plasma energy that is absorbed by the target surface is rapidly decreased with the achievement of the evaporation onset for exposed targets. The distributions of evaporated material in front of the target surface and the thickness of the shielding layer are found to be strongly dependent on the target atomic mass. The surface analysis of tungsten targets exposed to quasi-steady-state plasma accelerators plasma streams is presented together with measurements of the melting onset load and evaporation threshold, and also of erosion patterns with increasing heat load and the number of plasma pulses.

  14. Probing molecular dynamics of metal borohydrides on the surface of mesoporous scaffolds by multinuclear high resolution solid state NMR

    Energy Technology Data Exchange (ETDEWEB)

    Hwang, Son-Jong, E-mail: Sonjong@cheme.caltech.edu [Division of Chemistry and Chemical Eng., California Institute of Technology, Pasadena, CA 91125 (United States); Lee, Hyun-Sook [High Temperature Energy Materials Research Center, Korea Institute of Science and Technology, Seoul 136-791 (Korea, Republic of); To, Magnus [Division of Chemistry and Chemical Eng., California Institute of Technology, Pasadena, CA 91125 (United States); Lee, Young-Su; Cho, Young Whan [High Temperature Energy Materials Research Center, Korea Institute of Science and Technology, Seoul 136-791 (Korea, Republic of); Choi, Hyungkeun; Kim, Chul [Department of Chemistry, Hannam University, Daejeon 305-811 (Korea, Republic of)

    2015-10-05

    Graphical abstract: In situ variable temperature multinuclear solid state NMR allows to probe surface wetting, diffusivity, and confinement of metal borohydrides into nanopores. - Abstract: Understanding of surface interactions between borohydride molecules and the surfaces of porous supports have gained growing attention for successful development of nano-confinement engineering. By use of in situ variable temperature (VT) magic angle spinning (MAS) NMR, molecular mobility changes of LiBH{sub 4} crystalline solid has been investigated in the presence of silica based and carbonaceous surfaces. Spin–spin J-coupling of {sup 1}H–{sup 11}B in LiBH{sub 4} was monitored in series of VT NMR spectra to probe translational mobility of LiBH{sub 4} that appeared to be greatly enhanced upon surface contact. Such enhanced diffusivity was found to be effective in the formation of solid solution and co-confinement with other metal borohydrides. Co-confinement of LiBH{sub 4}–Ca(BH{sub 4}){sub 2} mixture was demonstrated at temperature as low as 100 °C, much lower than the reported bulk eutectic melting temperature. The discovery adds a novel property of LiBH{sub 4} that has been proven to be highly versatile in many energy related applications.

  15. Monitoring of the stress-strain state of the surface layer of a part in the cutting process using vibroacoustic diagnostics

    Directory of Open Access Journals (Sweden)

    Allenov Dmitry

    2017-01-01

    Full Text Available The state of the surface layer after mechanical process influences on the performance characteristics of the parts: corrosion and fatigue resistance, dimensional stability during the operating time. The wear of tools can have a decisive influence on the surface deformation. The present paper is devoted to monitoring the influence of wear on the surface layer using the analysis of vibration signals.

  16. Creating potentiometric surfaces from combined water well and oil well data in the midcontinent of the United States

    Science.gov (United States)

    Gianoutsos, Nicholas J.; Nelson, Philip H.

    2013-01-01

    ) the land surface elevation of the region. Examples from the midcontinent of the United States, specifically Kansas, Oklahoma, and parts of adjacent states illustrate the process.

  17. Why do models overestimate surface ozone in the Southeast United States?

    Directory of Open Access Journals (Sweden)

    K. R. Travis

    2016-11-01

    Full Text Available Ozone pollution in the Southeast US involves complex chemistry driven by emissions of anthropogenic nitrogen oxide radicals (NOx  ≡  NO + NO2 and biogenic isoprene. Model estimates of surface ozone concentrations tend to be biased high in the region and this is of concern for designing effective emission control strategies to meet air quality standards. We use detailed chemical observations from the SEAC4RS aircraft campaign in August and September 2013, interpreted with the GEOS-Chem chemical transport model at 0.25°  ×  0.3125° horizontal resolution, to better understand the factors controlling surface ozone in the Southeast US. We find that the National Emission Inventory (NEI for NOx from the US Environmental Protection Agency (EPA is too high. This finding is based on SEAC4RS observations of NOx and its oxidation products, surface network observations of nitrate wet deposition fluxes, and OMI satellite observations of tropospheric NO2 columns. Our results indicate that NEI NOx emissions from mobile and industrial sources must be reduced by 30–60 %, dependent on the assumption of the contribution by soil NOx emissions. Upper-tropospheric NO2 from lightning makes a large contribution to satellite observations of tropospheric NO2 that must be accounted for when using these data to estimate surface NOx emissions. We find that only half of isoprene oxidation proceeds by the high-NOx pathway to produce ozone; this fraction is only moderately sensitive to changes in NOx emissions because isoprene and NOx emissions are spatially segregated. GEOS-Chem with reduced NOx emissions provides an unbiased simulation of ozone observations from the aircraft and reproduces the observed ozone production efficiency in the boundary layer as derived from a regression of ozone and NOx oxidation products. However, the model is still biased high by 6 ± 14 ppb relative to observed surface ozone in the Southeast US. Ozonesondes

  18. Why do Models Overestimate Surface Ozone in the Southeastern United States?

    Science.gov (United States)

    Travis, Katherine R.; Jacob, Daniel J.; Fisher, Jenny A.; Kim, Patrick S.; Marais, Eloise A.; Zhu, Lei; Yu, Karen; Miller, Christopher C.; Yantosca, Robert M.; Sulprizio, Melissa P.; Thompson, Anne M.; Wennberg, Paul O.; Crounse, John D.; St Clair, Jason M.; Cohen, Ronald C.; Laughner, Joshua L.; Dibb, Jack E.; Hall, Samuel R.; Ullmann, Kirk; Wolfe, Glenn M.; Pollack, Illana B.; Peischl, Jeff; Neuman, Jonathan A.; Zhou, Xianliang

    2018-01-01

    Ozone pollution in the Southeast US involves complex chemistry driven by emissions of anthropogenic nitrogen oxide radicals (NOx ≡ NO + NO2) and biogenic isoprene. Model estimates of surface ozone concentrations tend to be biased high in the region and this is of concern for designing effective emission control strategies to meet air quality standards. We use detailed chemical observations from the SEAC4RS aircraft campaign in August and September 2013, interpreted with the GEOS-Chem chemical transport model at 0.25°×0.3125° horizontal resolution, to better understand the factors controlling surface ozone in the Southeast US. We find that the National Emission Inventory (NEI) for NOx from the US Environmental Protection Agency (EPA) is too high. This finding is based on SEAC4RS observations of NOx and its oxidation products, surface network observations of nitrate wet deposition fluxes, and OMI satellite observations of tropospheric NO2 columns. Our results indicate that NEI NOx emissions from mobile and industrial sources must be reduced by 30–60%, dependent on the assumption of the contribution by soil NOx emissions. Upper tropospheric NO2 from lightning makes a large contribution to satellite observations of tropospheric NO2 that must be accounted for when using these data to estimate surface NOx emissions. We find that only half of isoprene oxidation proceeds by the high-NOx pathway to produce ozone; this fraction is only moderately sensitive to changes in NOx emissions because isoprene and NOx emissions are spatially segregated. GEOS-Chem with reduced NOx emissions provides an unbiased simulation of ozone observations from the aircraft, and reproduces the observed ozone production efficiency in the boundary layer as derived from a regression of ozone and NOx oxidation products. However, the model is still biased high by 8±13 ppb relative to observed surface ozone in the Southeast US. Ozonesondes launched during midday hours show a 7 ppb ozone decrease

  19. Determination of the specific surface energy of oxides and glasses in the solid-state

    International Nuclear Information System (INIS)

    Andryushechkin, S.; Karpman, M.

    2000-01-01

    The production and application of coatings on glasses are used widely in technology. The coatings on glass are used for the regulation of optical, decorative, conducting and other technological and physical properties of glass. In particular, it is important to mention the application of glass fibres for the development of composite materials. However, the specific surface energy of glass and, consequently, its adhesion characteristics are relatively low. The values of these characteristics can be changed by the application of different metallic and nonmetallic coatings is characterised by high surface energy. To produce metallic coatings with the required adhesion strength of glass, it is necessary to have information on the specific surface energy of inorganic glass of different chemical composition. The determination of the relationships between the properties and composition of glass is one of the fundamental problems. At present, a large amount of investigations have been carried out into the investigations of the properties of glass in relation to its composition. However, the problem of establishment of relationships between the properties and composition of glass are especially difficult when examining multicomponent systems (technical glass). It is therefore, in to analyse in each case the properties of not the entire system has a whole but the variation of the properties with temperature of the individual components included in the system, the subsequent application of the additivity principle. The large majority of the glasses represent combinations of oxides of the elements of groups I-III and oxides of the transition metals, forming the mixtures, solid solutions of chemical compounds in the glass production process. Thus, analysis of the characteristics of oxides of the alkali, alkali-earth and transition metals makes it possible to obtain initial data for the evaluation of the surface energy, density, molecular mass of glass containing these oxides

  20. Why do Models Overestimate Surface Ozone in the Southeastern United States?

    Science.gov (United States)

    Travis, Katherine R.; Jacob, Daniel J.; Fisher, Jenny A.; Kim, Patrick S.; Marais, Eloise A.; Zhu, Lei; Yu, Karen; Miller, Christopher C.; Yantosca, Robert M.; Sulprizio, Melissa P.; hide

    2016-01-01

    Ozone pollution in the Southeast US involves complex chemistry driven by emissions of anthropogenic nitrogen oxide radicals (NOx = NO + NO2) and biogenic isoprene. Model estimates of surface ozone concentrations tend to be biased high in the region and this is of concern for designing effective emission control strategies to meet air quality standards. We use detailed chemical observations from the SEAC4RS aircraft campaign in August and September 2013, interpreted with the GEOS-Chem chemical transport model at 0.25 deg. x 0.3125 deg. horizontal resolution, to better understand the factors controlling surface ozone in the Southeast US. We find that the National Emission Inventory (NEI) for NOx from the US Environmental Protection Agency (EPA) is too high. This finding is based on SEAC4RS observations of NOx and its oxidation products, surface network observations of nitrate wet deposition fluxes, and OMI satellite observations of tropospheric NO2 columns. Our results indicate that NEI NOx emissions from mobile and industrial sources must be reduced by 30-60%, dependent on the assumption of the contribution by soil NOx emissions. Upper tropospheric NO2 from lightning makes a large contribution to satellite observations of tropospheric NO2 that must be accounted for when using these data to estimate surface NOx emissions. We find that only half of isoprene oxidation proceeds by the high-NOx pathway to produce ozone; this fraction is only moderately sensitive to changes in NOx emissions because isoprene and NOx emissions are spatially segregated. GEOS-Chem with reduced NOx emissions provides an unbiased simulation of ozone observations from the aircraft, and reproduces the observed ozone production efficiency in the boundary layer as derived from a 15 regression of ozone and NOx oxidation products. However, the model is still biased high by 8 +/- 13 ppb relative to observed surface ozone in the Southeast US. Ozonesondes launched during midday hours show a 7 ppb ozone

  1. Soluble and immobilized graphene oxide activates complement system differently dependent on surface oxidation state

    DEFF Research Database (Denmark)

    Wibroe, Peter Popp; Petersen, Søren Vermehren; Bovet, Nicolas Emile

    2016-01-01

    on two related elements of innate immunity: the complement system and interleukin-6 (IL-6) release in human blood. In solution, there was a decrease in GO-mediated complement activation with decreasing surface oxygen content (and altered oxygen functionality), whereas with immobilized GO complement...... response were reversed and increased with decreasing oxygen content. GO solutions, at concentrations below complement activating threshold, did not induce IL-6 release from human blood leukocytes, and further dampened lipopolysaccharide-induced IL-6 release in the whole blood. The latter effect became more...... profound with GO's having higher oxygen content. This protective role of GO solutions, however, disappeared at higher concentrations above complement-activating threshold. We discuss these results in relation to GO surface structure and properties, and implications for local administration and development...

  2. New York state high-speed surface transportation study: Final report

    Energy Technology Data Exchange (ETDEWEB)

    1994-08-01

    In 1990, New York State Governor Mario M. Cuomo created an interagency task force under the leadership of Lt. Governor Stan Lundine to investigate the potential of high speed ground transportation (HSGT) systems. Building on information from previous agency activities, including consultant efforts contracted by the New York State Energy Research and Development Authority (NYSERDA), the New York State Thruway Authority (NYSTA), and in-house analyses performed by New York State Department of Transportation (NYSDOT), the task force focused on the corridor between New York City and the Niagara Frontier. In December 1991, NYSERDA issued a contract for a study of high speed ground transportation options for New York State. The study`s objective was to assess potential rights-of-way, ridership, energy and environmental impacts, economic benefits, capital, operating, and maintenance costs, and financial viability of HSGT systems. This study builds upon and supplements previous and on-going HSGT activities conducted by the members of the interagency task force. These activities include: Maglev Technical and Economic Feasibility Study (NYSERDA); Maglev Demonstration Site Investigation (NYSTA); and New York/Massachusetts High Speed Ground Transportation Study (NYSDOT). This study is intended to verify and refine previous information and analyses and provide supplemental information and insights to be used in determining if additional investigation and activities involving HSGT are desirable for New York State. This study evaluates HSGT technologies capable of speeds significantly higher than those achieved with the present rail system. Three HSGT categories are used in this study: incremental rail improvement, very high-speed rail, and Maglev.

  3. INTER-SEASONAL DYNAMICS OF VEGETATION COVER AND SURFACE TEMPERATURE DISTRIBUTION: A CASE STUDY OF ONDO STATE, NIGERIA

    Directory of Open Access Journals (Sweden)

    H. A. Ibitolu

    2016-06-01

    Full Text Available This study employs Landsat ETM+ satellite imagery to access the inter-seasonal variations of Surface Temperature and Vegetation cover in Ondo State in 2013. Also, air temperature data for year 2013 acquired from 3 synoptic meteorological stations across the state were analyzed. The Single-channel Algorithm was used to extract the surface temperature maps from the digital number embedded within the individual pixel. To understand the spatio-temporal distribution of LST and vegetation across the various landuse types, 200 sample points were randomly chosen, so that each land-use covers 40 points. Imagery for the raining season where unavailable because of the intense cloud cover. Result showed that the lowest air temperature of 20.9°C was in January, while the highest air temperature of 34°C occurred in January and March. There was a significant shift in the vegetation greenness over Ondo State, as average NDVI tend to increase from a weak positive value (0.189 to a moderate value (0.419. The LULC map revealed that vegetation cover occupied the largest area (65% followed by Built-up (26%, Swampy land (4%, Rock outcrop (3% and water bodies (2%. The surface temperature maps revealed that January has the lowest temperature of 10°C experienced in the coastal riverine areas of Ilaje and Igbokoda, while the highest temperature of 39°C observed in September is experienced on the rocky grounds. The study also showed the existence of pockets of Urban Heat Islands (UHI that are well scattered all over the state. This finding proves the capability and reliability of Satellite remote sensing for environmental studies.

  4. Dynamics at Solid State Surfaces and Interfaces, Volume 1 Current Developments

    CERN Document Server

    Bovensiepen, Uwe; Wolf, Martin

    2010-01-01

    This two-volume work covers ultrafast structural and electronic dynamics of elementary processes at solid surfaces and interfaces, presenting the current status of photoinduced processes. Providing valuable introductory information for newcomers to this booming field of research, it investigates concepts and experiments, femtosecond and attosecond time-resolved methods, as well as frequency domain techniques. The whole is rounded off by a look at future developments.

  5. Multichannel analysis of the surface waves of earth materials in some parts of Lagos State, Nigeria

    Directory of Open Access Journals (Sweden)

    Adegbola R.B.

    2016-09-01

    Full Text Available We present a method that utilizes multichannel analysis of surface waves (MASW, which was used to measure shear wave velocities, with a view to establishing the probable causes of road failure, subsidence and weakening of structures in some local government areas in Lagos, Nigeria. MASW data were acquired using a 24-channel seismograph. The acquired data were processed and transformed into a two-dimensional (2-D structure reflective of the depth and surface wave velocity distribution within a depth of 0–15 m beneath the surface using SURFSEIS software. The shear wave velocity data were compared with other geophysical/ borehole data that were acquired along the same profile. The comparison and correlation illustrate the accuracy and consistency of MASW-derived shear wave velocity profiles. Rigidity modulus and N-value were also generated. The study showed that the low velocity/ very low velocity data are reflective of organic clay/ peat materials and thus likely responsible for the failure, subsidence and weakening of structures within the study areas.

  6. Near-surface neotectonic deformation associated with seismicity in the northeastern United States

    International Nuclear Information System (INIS)

    Alexander, S.S.; Gold, D.P.; Gardner, T.W.; Slingerland, R.L.; Thornton, C.P.

    1989-10-01

    For the Lancaster, PA seismic zone a multifaceted investigation revealed several manifestations of near-surface, neotectonic deformation. Remote sensing data together with surface geological and geophysical observations, and recent seismicity reveal that the neotectonic deformation is concentrated in a NS-trending fault zone some 50 km in length and 10--20 km in width. Anomalies associated with this zone include distinctive lineament and surface erosional patterns; geologically recent uplift evidenced by elevations of stream terraces along the Susquehanna River; and localized contemporary travertine deposits in streams down-drainage from the inferred active fault zone. In the Moodus seismic zone the frequency of tectonically-controlled lineaments was observed to increase in the Moodus quadrangle compared to adjacent areas and dominant lineament directions were observed that are perpendicular and parallel to the orientation of the maximum horizontal stress direction (N80-85E) recently determined from in-situ stress measurements in a 1.5 km-deep borehole in the seismic zone and from well-constrained earthquake focal mechanisms. 284 refs., 33 figs

  7. Near-surface neotectonic deformation associated with seismicity in the northeastern United States

    Energy Technology Data Exchange (ETDEWEB)

    Alexander, S.S.; Gold, D.P.; Gardner, T.W.; Slingerland, R.L.; Thornton, C.P. (Pennsylvania State Univ., University Park, PA (USA). Dept. of Geosciences)

    1989-10-01

    For the Lancaster, PA seismic zone a multifaceted investigation revealed several manifestations of near-surface, neotectonic deformation. Remote sensing data together with surface geological and geophysical observations, and recent seismicity reveal that the neotectonic deformation is concentrated in a NS-trending fault zone some 50 km in length and 10--20 km in width. Anomalies associated with this zone include distinctive lineament and surface erosional patterns; geologically recent uplift evidenced by elevations of stream terraces along the Susquehanna River; and localized contemporary travertine deposits in streams down-drainage from the inferred active fault zone. In the Moodus seismic zone the frequency of tectonically-controlled lineaments was observed to increase in the Moodus quadrangle compared to adjacent areas and dominant lineament directions were observed that are perpendicular and parallel to the orientation of the maximum horizontal stress direction (N80-85E) recently determined from in-situ stress measurements in a 1.5 km-deep borehole in the seismic zone and from well-constrained earthquake focal mechanisms. 284 refs., 33 figs.

  8. High-resolution Continental Scale Land Surface Model incorporating Land-water Management in United States

    Science.gov (United States)

    Shin, S.; Pokhrel, Y. N.

    2016-12-01

    Land surface models have been used to assess water resources sustainability under changing Earth environment and increasing human water needs. Overwhelming observational records indicate that human activities have ubiquitous and pertinent effects on the hydrologic cycle; however, they have been crudely represented in large scale land surface models. In this study, we enhance an integrated continental-scale land hydrology model named Leaf-Hydro-Flood to better represent land-water management. The model is implemented at high resolution (5km grids) over the continental US. Surface water and groundwater are withdrawn based on actual practices. Newly added irrigation, water diversion, and dam operation schemes allow better simulations of stream flows, evapotranspiration, and infiltration. Results of various hydrologic fluxes and stores from two sets of simulation (one with and the other without human activities) are compared over a range of river basin and aquifer scales. The improved simulations of land hydrology have potential to build consistent modeling framework for human-water-climate interactions.

  9. Selective enhancement of surface-state emission and simultaneous quenching of interband transition in white-luminophor CdS nanocrystals using localized plasmon coupling

    Energy Technology Data Exchange (ETDEWEB)

    Ozel, Tuncay; Soganci, Ibrahim Murat; Nizamoglu, Sedat; Huyal, Ilkem Ozge; Mutlugun, Evren; Demir, Hilmi Volkan [Department of Physics, Department of Electrical and Electronics Engineering, Nanotechnology Research Center and Institute of Materials Science and Nanotechnology, Bilkent University, Ankara 06800 (Turkey); Sapra, Sameer; Gaponik, Nikolai; Eychmueller, Alexander [Physical Chemistry/Electrochemistry Group, Technische Universitaet Dresden, Bergstr. 66b, Dresden 01062 (Germany)], E-mail: volkan@bilkent.edu.tr

    2008-08-15

    We propose and demonstrate the controlled modification and selective enhancement of surface-state emission in white-luminophor CdS nanocrystals (NCs) by plasmon-coupling them with proximal metal nanostructures. By carefully designing nano-Ag films to match their localized plasmon resonance spectrally with the surface-state emission peak of CdS NCs, we experimentally show that the surface-state emission is substantially enhanced in the visible wavelength, while the interband (band-edge) transition at the shorter wavelength far away from the plasmon resonance is simultaneously significantly suppressed. With such plasmon tuning and consequent strong plasmon coupling specifically for the surface-state transitions, the surface-state emission is made stronger than the band-edge emission. This corresponds to an enhancement factor of 12.7-fold in the ratio of the surface-state peak emission to the band-edge peak emission of the plasmon-coupled film sample compared with that in solution. Such a plasmonic engineering of surface-state emission in trap-rich CdS white nanoluminophors holds great promise for future solid-state lighting.

  10. Selective enhancement of surface-state emission and simultaneous quenching of interband transition in white-luminophor CdS nanocrystals using localized plasmon coupling

    International Nuclear Information System (INIS)

    Ozel, Tuncay; Soganci, Ibrahim Murat; Nizamoglu, Sedat; Huyal, Ilkem Ozge; Mutlugun, Evren; Demir, Hilmi Volkan; Sapra, Sameer; Gaponik, Nikolai; Eychmueller, Alexander

    2008-01-01

    We propose and demonstrate the controlled modification and selective enhancement of surface-state emission in white-luminophor CdS nanocrystals (NCs) by plasmon-coupling them with proximal metal nanostructures. By carefully designing nano-Ag films to match their localized plasmon resonance spectrally with the surface-state emission peak of CdS NCs, we experimentally show that the surface-state emission is substantially enhanced in the visible wavelength, while the interband (band-edge) transition at the shorter wavelength far away from the plasmon resonance is simultaneously significantly suppressed. With such plasmon tuning and consequent strong plasmon coupling specifically for the surface-state transitions, the surface-state emission is made stronger than the band-edge emission. This corresponds to an enhancement factor of 12.7-fold in the ratio of the surface-state peak emission to the band-edge peak emission of the plasmon-coupled film sample compared with that in solution. Such a plasmonic engineering of surface-state emission in trap-rich CdS white nanoluminophors holds great promise for future solid-state lighting

  11. SURFACE AND LIGHTNING SOURCES OF NITROGEN OXIDES OVER THE UNITED STATES: MAGNITUDES, CHEMICAL EVOLUTION, AND OUTFLOW

    Science.gov (United States)

    We use observations from two aircraft during the ICARTT campaign over the eastern United States and North Atlantic during summer 2004, interpreted with a global 3-D model of tropospheric chemistry (GEOS-Chem) to test current understanding of regional sources, chemical evolution...

  12. Students Using Multimodal Literacies to Surface Micronarratives of United States Immigration

    Science.gov (United States)

    Ghiso, Maria Paula; Low, David E.

    2013-01-01

    This article explores how immigrant students in the United States utilise multimodal literacy practices to complicate dominant narratives of American national identity--narratives of facile assimilation, meritocracy and linear trajectories. Such ideologies can be explicitly evident in curricular materials or can be woven more implicitly into…

  13. Emergence of entanglement with temperature and time in factorization-surface states

    Science.gov (United States)

    Chanda, Titas; Das, Tamoghna; Sadhukhan, Debasis; Pal, Amit Kumar; SenDe, Aditi; Sen, Ujjwal

    2018-01-01

    There exist zero-temperature states in quantum many-body systems that are fully factorized, thereby possessing vanishing entanglement, and hence being of no use as resource in quantum information processing tasks. Such states can become useful for quantum protocols when the temperature of the system is increased, and when the system is allowed to evolve under either the influence of an external environment, or a closed unitary evolution driven by its own Hamiltonian due to a sudden change in the system parameters. Using the one-dimensional anisotropic XY model in a uniform and an alternating transverse magnetic field, we show that entanglement of the thermal states, corresponding to the factorization points in the space of the system parameters, revives once or twice with increasing temperature. We also study the closed unitary evolution of the quantum spin chain driven out of equilibrium when the external magnetic fields are turned off, and show that considerable entanglement is generated during the dynamics, when the initial state has vanishing entanglement. Interestingly, we find that creation of entanglement for a pair of spins is possible when the system is made open to an external heat bath, interacting with the system through that spin-pair via a repetitive quantum interaction.

  14. Two-phonon states in nuclei - from surface vibrations to wobbling motion

    International Nuclear Information System (INIS)

    Hamamoto, Ikuko

    2003-01-01

    Being stimulated by the recent identification of the two-phonon wobbling excitation, first I make a brief survey of various two-phonon states in nuclear physics, in connection with experimental observations. Then, I discuss the wobbling-phonon excitation in the presence of particle alignments, which is nicely pinned down in the recent experiments of the nucleus 71 163 Lu 92 . (author)

  15. Climatic and physiographic controls of spatial variability in surface water balance over the contiguous United States using the Budyko relationship

    Science.gov (United States)

    Abatzoglou, John T.; Ficklin, Darren L.

    2017-09-01

    The geographic variability in the partitioning of precipitation into surface runoff (Q) and evapotranspiration (ET) is fundamental to understanding regional water availability. The Budyko equation suggests this partitioning is strictly a function of aridity, yet observed deviations from this relationship for individual watersheds impede using the framework to model surface water balance in ungauged catchments and under future climate and land use scenarios. A set of climatic, physiographic, and vegetation metrics were used to model the spatial variability in the partitioning of precipitation for 211 watersheds across the contiguous United States (CONUS) within Budyko's framework through the free parameter ω. A generalized additive model found that four widely available variables, precipitation seasonality, the ratio of soil water holding capacity to precipitation, topographic slope, and the fraction of precipitation falling as snow, explained 81.2% of the variability in ω. The ω model applied to the Budyko equation explained 97% of the spatial variability in long-term Q for an independent set of watersheds. The ω model was also applied to estimate the long-term water balance across the CONUS for both contemporary and mid-21st century conditions. The modeled partitioning of observed precipitation to Q and ET compared favorably across the CONUS with estimates from more sophisticated land-surface modeling efforts. For mid-21st century conditions, the model simulated an increase in the fraction of precipitation used by ET across the CONUS with declines in Q for much of the eastern CONUS and mountainous watersheds across the western United States.

  16. [Adsorption of heavy metals on the surface of birnessite relationship with its Mn average oxidation state and adsorption sites].

    Science.gov (United States)

    Wang, Yan; Tan, Wen-Feng; Feng, Xiong-Han; Qiu, Guo-Hong; Liu, Fan

    2011-10-01

    Adsorption characteristics of mineral surface for heavy metal ions are largely determined by the type and amount of surface adsorption sites. However, the effects of substructure variance in manganese oxide on the adsorption sites and adsorption characteristics remain unclear. Adsorption experiments and powder X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) were combined to examine the adsorption characteristics of Pb2+, Cu2+, Zn2+ and Cd2+ sequestration by birnessites with different Mn average oxidation state (AOS), and the Mn AOS dependent adsorption sites and adsorption characteristics. The results show that the maximum adsorption capacity of Pb2+, Cu2+, Zn2+ and Cd2+ increased with increasing birnessite Mn AOS. The adsorption capacity followed the order of Pb2+ > Cu2+ > Zn2+ > Cd2+. The observations suggest that there exist two sites on the surface of birnessite, i. e., high-binding-energy site (HBE site) and low-binding-energy site (LBE site). With the increase of Mn AOS for birnessites, the amount of HBE sites for heavy metal ions adsorption remarkably increased. On the other hand, variation in the amount of LBE sites was insignificant. The amount of LBE sites is much more than those of HBE sites on the surface of birnessite with low Mn AOS. Nevertheless, both amounts on the surface of birnessite with high Mn AOS are very close to each other. Therefore, the heavy metal ions adsorption capacity on birnessite is largely determined by the amount of HBE sites. On birnessite surface, adsorption of Cu2+, Zn2+, and Cd2+ mostly occurred at HBE sites. In comparison with Zn2+ and Cd2+, more Cu2+ adsorbed on the LBW sites. Pb2+ adsorption maybe occupy at both LBE sites and HBE sites simultaneously.

  17. Fermi-level tuning of the Dirac surface state in (Bi1-x Sb x )2Se3 thin films

    Science.gov (United States)

    Satake, Yosuke; Shiogai, Junichi; Takane, Daichi; Yamada, Keiko; Fujiwara, Kohei; Souma, Seigo; Sato, Takafumi; Takahashi, Takashi; Tsukazaki, Atsushi

    2018-02-01

    We report on the electronic states and the transport properties of three-dimensional topological insulator (Bi1-x Sb x )2Se3 ternary alloy thin films grown on an isostructural Bi2Se3 buffer layer on InP substrates. By angle-resolved photoemission spectroscopy, we clearly detected Dirac surface states with a large bulk band gap of 0.2-0.3 eV in the (Bi1-x Sb x )2Se3 film with x  =  0.70. In addition, we observed by Hall effect measurements that the dominant charge carrier converts from electron (n-type) to hole (p-type) at around x  =  0.7, indicating that the Fermi level can be controlled across the Dirac point. Indeed, the carrier transport was shown to be governed by Dirac surface state in 0.63  ⩽  x  ⩽  0.75. These features suggest that Fermi-level tunable (Bi1-x Sb x )2Se3-based heterostructures provide a platform for extracting exotic topological phenomena.

  18. Effect of charged deep states in hydrogenated amorphous silicon on the behavior of iron oxides nanoparticles deposited on its surface

    International Nuclear Information System (INIS)

    Gmucova, Katarina; Weis, Martin; Nadazdy, Vojtech; Capek, Ignac; Satka, Alexander; Chitu, Livia; Cirak, Julius; Majkova, Eva

    2008-01-01

    Langmuir-Blodgett technique has been used for the deposition of ordered two-dimensional arrays of iron oxides (Fe 3 O 4 /Fe 2 O 3 ) nanoparticles onto the photovoltaic hydrogenated amorphous silicon (a-Si:H) thin film. Electric field at the a-Si:H/iron oxides nanoparticles interface was directly in the electrochemical cell modified by light soaking and bias voltage (negative or positive) pretreatment resulting in the change of the dominant type of charged deep states in the a-Si:H layer. Induced reversible changes in the nanoparticle redox behavior have been observed. We suggest two possible explanations of the data obtained, both of them are needed to describe measured electrochemical signals. The first one consists in the electrocatalytical effect caused by the defect states (negatively or positively charged) in the a-Si:H layer. The second one consists in the possibility to manipulate the nanoparticle cores in the prepared structure immersed in aqueous solution via the laser irradiation under specific bias voltage. In this case, the nanoparticle cores are assumed to be covered with surface clusters of heterovalent complexes created onto the surface regions with prevailing ferrous or ferric valency. Immersed in the high viscosity surrounding composed of the wet organic nanoparticle envelope these cores are able to perform a field-assisted pivotal motion. The local electric field induced by the deep states in the a-Si:H layer stabilizes their 'orientation ordering' in an energetically favourable position

  19. Attractor hopping between polarization dynamical states in a vertical-cavity surface-emitting laser subject to parallel optical injection

    Science.gov (United States)

    Denis-le Coarer, Florian; Quirce, Ana; Valle, Angel; Pesquera, Luis; Rodríguez, Miguel A.; Panajotov, Krassimir; Sciamanna, Marc

    2018-03-01

    We present experimental and theoretical results of noise-induced attractor hopping between dynamical states found in a single transverse mode vertical-cavity surface-emitting laser (VCSEL) subject to parallel optical injection. These transitions involve dynamical states with different polarizations of the light emitted by the VCSEL. We report an experimental map identifying, in the injected power-frequency detuning plane, regions where attractor hopping between two, or even three, different states occur. The transition between these behaviors is characterized by using residence time distributions. We find multistability regions that are characterized by heavy-tailed residence time distributions. These distributions are characterized by a -1.83 ±0.17 power law. Between these regions we find coherence enhancement of noise-induced attractor hopping in which transitions between states occur regularly. Simulation results show that frequency detuning variations and spontaneous emission noise play a role in causing switching between attractors. We also find attractor hopping between chaotic states with different polarization properties. In this case, simulation results show that spontaneous emission noise inherent to the VCSEL is enough to induce this hopping.

  20. High resolution spectroscopy on adsorbed molecules on a Ni (110)-surface: vibrational states and electronic levels

    International Nuclear Information System (INIS)

    Kardinal, I.

    1998-01-01

    The complementary techniques of HR-XPS and HREELS have been applied to two distinct problems. The first studies adsorption and dissociation of C 2 N 2 on Ni (110) at room temperature (RT) and at 90 K and its co-adsorption with CO. At RT C 2 N 2 dissociates and forms a c(2x2)-CN structure. The resulting CN is found to be bound in the grooves of the (110) surface yielding the lowest C-N vibrational energy yet observed. C 2 N 2 was found to dissociate even at 90 K however the resulting CN overlayer after warming to RT showed remarkable differences to that of the RT adsorption. As well as the in-groove species a number of adsorption sites on the ridges with a bond order higher have been identified. Preadsorbed CO is completely driven of the Ni (110) surface by co-adsorption of CN at RT. HREELS indicates that first CO is desorbed from the on-top-sites and then from the bridge-sites of the (110)-ridges involving a considerable increase of the HREELS cross section for the CO on the bridge-sites. Also the signal intensity of the coadsorbed CN is suppressed by the CO present on the surface. The second study investigated the adsorption of bithiophene (BiT) on clean Ni (110) and the S-modified c(2x2)-S-Ni (110) and p(4x1)-S-Ni (110). The latter provided a strongly structured substrate which forced the assembly of the adsorbed BiT-molecules. The high degree of order of this adsorbate/substrate system was obvious in both the HR-XPS results and the BREELS results with strong azimuthal anisotropy. This system was used to asses the ability to use the HREELS impact selection rules to determine molecular orientation of a reasonably complex adsorbate overlayer. (author)

  1. Heterogeneous catalytic materials solid state chemistry, surface chemistry and catalytic behaviour

    CERN Document Server

    Busca, Guido

    2014-01-01

    Heterogeneous Catalytic Materials discusses experimental methods and the latest developments in three areas of research: heterogeneous catalysis; surface chemistry; and the chemistry of catalysts. Catalytic materials are those solids that allow the chemical reaction to occur efficiently and cost-effectively. This book provides you with all necessary information to synthesize, characterize, and relate the properties of a catalyst to its behavior, enabling you to select the appropriate catalyst for the process and reactor system. Oxides (used both as catalysts and as supports for cata

  2. Surface layer composition of titania produced by various methods. The change of layer state under illumination

    International Nuclear Information System (INIS)

    Zakharenko, V; Daibova, E; Zmeeva, O; Kosova, N

    2016-01-01

    The comparative analysis of experimental data over titanium dioxide powders prepared by various ways under ambient air is carried out. The results over TiO 2 prepared by high-temperature heating of anatase, produced by burning of titanium micro particles and grinding of rutile crystal are used for that comparison. Water and carbon dioxide were the main products released from the surface of the titania powders. It was found that under UV irradiation absorbed by titania, in absent oxygen, water effectively reacts with lattice oxygen of titanium dioxide. (paper)

  3. Realization of Multi-Stable Ground States in a Nematic Liquid Crystal by Surface and Electric Field Modification

    Science.gov (United States)

    Gwag, Jin Seog; Kim, Young-Ki; Lee, Chang Hoon; Kim, Jae-Hoon

    2015-06-01

    Owing to the significant price drop of liquid crystal displays (LCDs) and the efforts to save natural resources, LCDs are even replacing paper to display static images such as price tags and advertising boards. Because of a growing market demand on such devices, the LCD that can be of numerous surface alignments of directors as its ground state, the so-called multi-stable LCD, comes into the limelight due to the great potential for low power consumption. However, the multi-stable LCD with industrial feasibility has not yet been successfully performed. In this paper, we propose a simple and novel configuration for the multi-stable LCD. We demonstrate experimentally and theoretically that a battery of stable surface alignments can be achieved by the field-induced surface dragging effect on an aligning layer with a weak surface anchoring. The simplicity and stability of the proposed system suggest that it is suitable for the multi-stable LCDs to display static images with low power consumption and thus opens applications in various fields.

  4. Plastic in surface waters of the Inside Passage and beaches of the Salish Sea in Washington State.

    Science.gov (United States)

    Davis, Wallace; Murphy, Anne G

    2015-08-15

    We summarize results of two independent studies on plastic pollution in the marine environment that overlap in time and space. One study evaluated the abundance of anthropogenic debris on 37 sandy beaches bordering the Salish Sea in Washington State while the other characterized plastic debris in surface waters of the Salish Sea and the Inside Passage to Skagway, Alaska. Both studies concluded that foam, primarily expanded polystyrene was the dominant pollutant. Plastic was found in surface waters the full length of the Inside Passage but was concentrated near harbors. At the wrack line, an average square meter of Washington's 1180km of sandy beaches in the Salish Sea had 61 pieces of anthropogenic debris weighing approximately 5g. The total loading for the entire 1m wide band is estimated to be 72,000,000 pieces and 5.8metric tons. Most anthropogenic debris on beaches is generated within the region. Copyright © 2015 Elsevier Ltd. All rights reserved.

  5. Effect of surface stress states on the corrosion behavior of alloy 690

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Myung Mo; Shim, Hee Sang; Seo, Myung Ji; Hur, Do Haeng [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2015-05-15

    The test environment simulated the primary water chemistry in PWRs. Dissolved oxygen (DO), dissolved hydrogen (DH), pH and conductivity were monitored at room temperature using sensors manufactured by Orbisphere and Mettler Toledo. The temperature and pressure were maintained at 330 .deg. C and 150 bars during the corrosion test. The condition of the test solution was lithium (LiOH) 2 ppm and boron (H3BO4) 1,200 ppm, DH 35 cc/kg (STP) and less than 5 ppb DO. The flow rate of the loop system was 3.8 L/hour. Corrosion tests were conducted for 500 hours. The corrosion release rate was evaluated by a gravimetric analysis method using a two-step alkaline permanganate-ammonium citrate (AP/AC) descaling process. Compressive residual stress is induced by shot peening treatment but its value reveals some different trend between the shot peening intensity on the surface of Alloy 690 TT. A higher shot peening intensity causes a reduction in the corrosion rate and it is considered that the compressive residual stress beneath the surface layer suppresses the metal ion transfer in an alloy matrix.

  6. Measurement of the quantum capacitance from two-dimensional surface state of a topological insulator at room temperature

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Hyunwoo, E-mail: chw0089@gmail.com [Department of Electrical and Computer Engineering, University of Seoul, Seoul 02504 (Korea, Republic of); Kim, Tae Geun, E-mail: tgkim1@korea.ac.kr [School of Electrical Engineering, Korea University, Seoul 02841 (Korea, Republic of); Shin, Changhwan, E-mail: cshin@uos.ac.kr [Department of Electrical and Computer Engineering, University of Seoul, Seoul 02504 (Korea, Republic of)

    2017-06-15

    Highlights: • The quantum capacitance in topological insulator (TI) at room temperature is directly revealed. • The physical origin of quantum capacitance, the two dimensional surface state of TI, is experimentally validated. • Theoretically calculated results of ideal quantum capacitance can well predict the experimental data. - Abstract: A topological insulator (TI) is a new kind of material that exhibits unique electronic properties owing to its topological surface state (TSS). Previous studies focused on the transport properties of the TSS, since it can be used as the active channel layer in metal-oxide-semiconductor field-effect transistors (MOSFETs). However, a TI with a negative quantum capacitance (QC) effect can be used in the gate stack of MOSFETs, thereby facilitating the creation of ultra-low power electronics. Therefore, it is important to study the physics behind the QC in TIs in the absence of any external magnetic field, at room temperature. We fabricated a simple capacitor structure using a TI (TI-capacitor: Au-TI-SiO{sub 2}-Si), which shows clear evidence of QC at room temperature. In the capacitance-voltage (C-V) measurement, the total capacitance of the TI-capacitor increases in the accumulation regime, since QC is the dominant capacitive component in the series capacitor model (i.e., C{sub T}{sup −1} = C{sub Q}{sup −1} + C{sub SiO2}{sup −1}). Based on the QC model of the two-dimensional electron systems, we quantitatively calculated the QC, and observed that the simulated C-V curve theoretically supports the conclusion that the QC of the TI-capacitor is originated from electron–electron interaction in the two-dimensional surface state of the TI.

  7. Communication: Photodissociation of CH3CHO at 308 nm: Observation of H-roaming, CH3-roaming, and transition state pathways together along the ground state surface

    Science.gov (United States)

    Li, Hou-Kuan; Tsai, Po-Yu; Hung, Kai-Chan; Kasai, Toshio; Lin, King-Chuen

    2015-01-01

    Following photodissociation of acetaldehyde (CH3CHO) at 308 nm, the CO(v = 1-4) fragment is acquired using time-resolved Fourier-transform infrared emission spectroscopy. The CO(v = 1) rotational distribution shows a bimodal feature; the low- and high-J components result from H-roaming around CH3CO core and CH3-roaming around CHO radical, respectively, in consistency with a recent assignment by Kable and co-workers (Lee et al., Chem. Sci. 5, 4633 (2014)). The H-roaming pathway disappears at the CO(v ≥ 2) states, because of insufficient available energy following bond-breaking of H + CH3CO. By analyzing the CH4 emission spectrum, we obtained a bimodal vibrational distribution; the low-energy component is ascribed to the transition state (TS) pathway, consistent with prediction by quasiclassical trajectory calculations, while the high-energy component results from H- and CH3-roamings. A branching fraction of H-roaming/CH3-roaming/TS contribution is evaluated to be (8% ± 3%)/(68% ± 10%)/(25% ± 5%), in which the TS pathway was observed for the first time. The three pathways proceed concomitantly along the electronic ground state surface.

  8. Design and operational considerations of United States commercial nea-surface low-level radioactive waste disposal facilities

    International Nuclear Information System (INIS)

    Birk, Sandra M.

    1997-01-01

    Low-level radioactive waste disposal standards and techniques in the United States have evolved significantly since the early 1960's. Six commercial LLW disposal facilities(Barnwell, Richland, Ward Valley, Sierra Blanca, Wake County and Boyd County) operated and proposed between 1962 and 1997. This report summarizes each site's design and operational considerations for near-surface disposal of low-level radioactive waste. These new standards and mitigating efforts at closed facilities (Sheffield, Maxey Flats, Beatty and West Valley) have helped to ensure that the public has been safely protected from LLW. 15 refs

  9. Quantifying Organic Matter in Surface Waters of the United States and Delivery to the Coastal Zone

    Science.gov (United States)

    Boyer, E. W.; Alexander, R. B.; Smith, R. A.; Shih, J.

    2012-12-01

    Organic carbon (OC) is a critical water quality characteristic in surface waters. It is an important component of the energy balance and food chains in freshwater and estuarine aquatic ecosystems, is significant in the mobilization and transport of contaminants along flow paths, and is associated with the formation of known carcinogens in drinking water supplies. The importance of OC dynamics on water quality has been recognized, but challenges remain in quantitatively addressing processes controlling OC fluxes over broad spatial scales in a hydrological context, and considering upstream-downstream linkages along flow paths. Here, we: 1) quantified lateral OC fluxes in rivers, streams, and reservoirs across the nation from headwaters to the coasts; 2) partitioned how much organic carbon that is stored in lakes, rivers and streams comes from allochthonous sources (produced in the terrestrial landscape) versus autochthonous sources (produced in-stream by primary production); 3) estimated the delivery of dissolved and total forms of organic carbon to coastal estuaries and embayments; and 4) considered seasonal factors affecting the temporal variation in OC responses. To accomplish this, we developed national-scale models of organic carbon in U.S. surface waters using the spatially referenced regression on watersheds (SPARROW) technique. The modeling approach uses mechanistic formulations, imposes mass balance constraints, and provides a formal parameter estimation structure to statistically estimate sources and fate of OC in terrestrial and aquatic ecosystems. We calibrated and evaluated the model with statistical estimates of OC loads that were observed at a network of monitoring stations across the nation, and further explored factors controlling seasonal dynamics of OC based on these long term monitoring data. Our results illustrate spatial patterns and magnitudes OC loadings in rivers, highlighting hot spots and suggesting origins of the OC to each location

  10. Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination.

    Science.gov (United States)

    Woods, Lucy A; Dolezal, Olan; Ren, Bin; Ryan, John H; Peat, Thomas S; Poulsen, Sally-Ann

    2016-03-10

    Fragment-based drug discovery (FBDD) is contingent on the development of analytical methods to identify weak protein-fragment noncovalent interactions. Herein we have combined an underutilized fragment screening method, native state mass spectrometry, together with two proven and popular fragment screening methods, surface plasmon resonance and X-ray crystallography, in a fragment screening campaign against human carbonic anhydrase II (CA II). In an initial fragment screen against a 720-member fragment library (the "CSIRO Fragment Library") seven CA II binding fragments, including a selection of nonclassical CA II binding chemotypes, were identified. A further 70 compounds that comprised the initial hit chemotypes were subsequently sourced from the full CSIRO compound collection and screened. The fragment results were extremely well correlated across the three methods. Our findings demonstrate that there is a tremendous opportunity to apply native state mass spectrometry as a complementary fragment screening method to accelerate drug discovery.

  11. Ab initio ground state phenylacetylene-argon intermolecular potential energy surface and rovibrational spectrum

    DEFF Research Database (Denmark)

    Cybulski, Hubert; Fernandez, Berta; Henriksen, Christian

    2012-01-01

    to the axis perpendicular to the phenylacetylene plane and containing the center of mass. The calculated interaction energy is -418.9 cm(-1). To check further the potential, we obtain the rovibrational spectrum of the complex and the results are compared to the available experimental data. (C) 2012 American......We evaluate the phenylacetylene-argon intermolecular potential energy surface by fitting a representative number of ab initio interaction energies to an analytic function. These energies are calculated at a grid of intermolecular geometries, using the CCSD(T) method and the aug-cc-pVDZ basis set...... extended with a series of 3s3p2d1flg midbond functions. The potential is characterized by two equivalent global minima where the Ar atom is located above and below the phenylacetylene plane at a distance of 3.5781 angstrom from the molecular center of mass and at an angle of 9.08 degrees with respect...

  12. Surface state decoherence in loop quantum gravity, a first toy model

    International Nuclear Information System (INIS)

    Feller, Alexandre; Livine, Etera R

    2017-01-01

    The quantum-to-classical transition through decoherence is a major facet of the semi-classical analysis of quantum models that are supposed to admit a classical regime, as quantum gravity should be. A particular problem of interest is the decoherence of black hole horizons and holographic screens induced by the bulk-boundary coupling with interior degrees of freedom. Here in this paper we present a first toy-model, in the context of loop quantum gravity, for the dynamics of a surface geometry as an open quantum system. We discuss the resulting decoherence and recoherence and compare the exact density matrix evolution to the commonly used master equation approximation à la Lindblad underlining its merits and limitations. The prospect of this study is to have a clearer understanding of the boundary decoherence of black hole horizons seen by outside observers. (paper)

  13. Decadal changes in summertime reactive oxidized nitrogen and surface ozone over the Southeast United States

    Science.gov (United States)

    Li, Jingyi; Mao, Jingqiu; Fiore, Arlene M.; Cohen, Ronald C.; Crounse, John D.; Teng, Alex P.; Wennberg, Paul O.; Lee, Ben H.; Lopez-Hilfiker, Felipe D.; Thornton, Joel A.; Peischl, Jeff; Pollack, Ilana B.; Ryerson, Thomas B.; Veres, Patrick; Roberts, James M.; Neuman, J. Andrew; Nowak, John B.; Wolfe, Glenn M.; Hanisco, Thomas F.; Fried, Alan; Singh, Hanwant B.; Dibb, Jack; Paulot, Fabien; Horowitz, Larry W.

    2018-02-01

    Widespread efforts to abate ozone (O3) smog have significantly reduced emissions of nitrogen oxides (NOx) over the past 2 decades in the Southeast US, a place heavily influenced by both anthropogenic and biogenic emissions. How reactive nitrogen speciation responds to the reduction in NOx emissions in this region remains to be elucidated. Here we exploit aircraft measurements from ICARTT (July-August 2004), SENEX (June-July 2013), and SEAC4RS (August-September 2013) and long-term ground measurement networks alongside a global chemistry-climate model to examine decadal changes in summertime reactive oxidized nitrogen (RON) and ozone over the Southeast US. We show that our model can reproduce the mean vertical profiles of major RON species and the total (NOy) in both 2004 and 2013. Among the major RON species, nitric acid (HNO3) is dominant (˜ 42-45 %), followed by NOx (31 %), total peroxy nitrates (ΣPNs; 14 %), and total alkyl nitrates (ΣANs; 9-12 %) on a regional scale. We find that most RON species, including NOx, ΣPNs, and HNO3, decline proportionally with decreasing NOx emissions in this region, leading to a similar decline in NOy. This linear response might be in part due to the nearly constant summertime supply of biogenic VOC emissions in this region. Our model captures the observed relative change in RON and surface ozone from 2004 to 2013. Model sensitivity tests indicate that further reductions of NOx emissions will lead to a continued decline in surface ozone and less frequent high-ozone events.

  14. Decadal changes in summertime reactive oxidized nitrogen and surface ozone over the Southeast United States

    Directory of Open Access Journals (Sweden)

    J. Li

    2018-02-01

    Full Text Available Widespread efforts to abate ozone (O3 smog have significantly reduced emissions of nitrogen oxides (NOx over the past 2 decades in the Southeast US, a place heavily influenced by both anthropogenic and biogenic emissions. How reactive nitrogen speciation responds to the reduction in NOx emissions in this region remains to be elucidated. Here we exploit aircraft measurements from ICARTT (July–August 2004, SENEX (June–July 2013, and SEAC4RS (August–September 2013 and long-term ground measurement networks alongside a global chemistry–climate model to examine decadal changes in summertime reactive oxidized nitrogen (RON and ozone over the Southeast US. We show that our model can reproduce the mean vertical profiles of major RON species and the total (NOy in both 2004 and 2013. Among the major RON species, nitric acid (HNO3 is dominant (∼ 42–45 %, followed by NOx (31 %, total peroxy nitrates (ΣPNs; 14 %, and total alkyl nitrates (ΣANs; 9–12 % on a regional scale. We find that most RON species, including NOx, ΣPNs, and HNO3, decline proportionally with decreasing NOx emissions in this region, leading to a similar decline in NOy. This linear response might be in part due to the nearly constant summertime supply of biogenic VOC emissions in this region. Our model captures the observed relative change in RON and surface ozone from 2004 to 2013. Model sensitivity tests indicate that further reductions of NOx emissions will lead to a continued decline in surface ozone and less frequent high-ozone events.

  15. Magnitude and Surface Rupture Length of Prehistoric Upper Crustal Earthquakes in the Puget Lowland, Washington State

    Science.gov (United States)

    Sherrod, B. L.; Styron, R. H.

    2016-12-01

    Paleoseismic studies documented prehistoric earthquakes after the last glaciation ended 15 ka on 13 upper-crustal fault zones in the Cascadia fore arc. These fault zones are a consequence of north-directed fore arc block migration manifesting as a series of bedrock uplifts and intervening structural basins in the southern Salish Sea lowland between Vancouver, B.C. to the north and Olympia, WA to the south, and bounded on the east and west by the Cascade Mountains and Olympic Mountains, respectively. Our dataset uses published information and includes 27 earthquakes tabulated from observations of postglacial deformation at 63 sites. Stratigraphic offsets along faults consist of two types of measurements: 1) vertical separation of strata along faults observed in fault scarp excavations, and 2) estimates from coastal uplift and subsidence. We used probabilistic methods to estimate past rupture magnitudes and surface rupture length (SRL), applying empirical observations from modern earthquakes and point measurements from paleoseismic sites (Biasi and Weldon, 2006). Estimates of paleoearthquake magnitude ranged between M 6.5 and M 7.5. SRL estimates varied between 20 and 90 km. Paleoearthquakes on the Seattle fault zone and Saddle Mountain West fault about 1100 years ago were outliers in our analysis. Large offsets observed for these two earthquakes implies a M 7.8 and 200 km SRL, given the average observed ratio of slip/SRL in modern earthquakes. The actual mapped traces of these faults are less than 200km, implying these earthquakes had an unusually high static stress drop or, in the case of the Seattle fault, splay faults may have accentuated uplift in the hanging wall. Refined calculations incorporating fault area may change these magnitude and SRL estimates. Biasi, G.P., and Weldon, R.J., 2006, Estimating Surface Rupture Length and Magnitude of Paleoearthquakes from Point Measurements of Rupture Displacement: B. Seismol. Soc. Am., 96, 1612-1623.

  16. Incident ion charge state dependence of electron emission during slow multicharged ion-surface interactions

    International Nuclear Information System (INIS)

    Hughes, I.G.; Zeijlmans van Emmichoven, P.A.; Havener, C.C.; Overbury, S.H.; Robinson, M.T.; Zehner, D.M.; Meyer, F.W.

    1992-01-01

    Characteristic variations in the total electron yield γ as a function of crystal azimuthal orientation are reported for slow N 2+ , N 5+ and N 6+ ions incident on a Au(011) single crystal, together with measurements of γ as a function of incident ion velocity. Kinetic electron emission is shown to arise predominantly in close collisions between incident ions and target atoms, and potential electron emission is found to be essentially constant within our present velocity range. The incident ion charge state is shown to play no role in kinetic electron emission. Extremely fast neutralization times of the order of 10 - 15 secs are needed to explain the observations

  17. A summary of fish and wildlife information needs to surface mine coal in the United States. Part 3. A handbook for meeting fish and wildlife information needs to surface mine coal: OSM Region III. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Hinkle, C.R.; Ambrose, R.E.; Wenzel, C.R.

    1981-02-01

    The report contains information to assist in protecting, enhancing, and reducing impacts to fish and wildlife resources during surface mining of coal. It gives information on the premining, mining, reclamation and compliance phases of surface mining. Methods and sources to obtain information to satisfy state and Federal regulations are presented. Considerable emphasis is placed on postmining assistance. This volume is specifically for the states of Minnesota, Wisconsin, Michigan, Illinois, Indiana and Ohio.

  18. Summary of fish and wildlife information needs to surface mine coal in the United States. Part 3. A handbook for meeting fish and wildlife information needs to surface mine coal: OSM Region IV. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Hinkle, C.R.; Ambrose, R.E.; Wenzel, C.R.

    1981-02-01

    The report contains information to assist in protecting, enhancing, and reducing impacts to fish and wildlife resources during surface mining of coal. It gives information on the premining, mining, reclamation and compliance phases of surface mining. Methods and sources to obtain information to satisfy state and Federal regulations are presented. This volume is specifically for the states of Nebraska, Iowa, Kansas, Missouri, Oklahoma, Arkansas, Texas and Louisiana.

  19. Summary of fish and wildlife information needs to surface mine coal in the United States. Part 3. A handbook for meeting fish and wildlife information needs to surface mine coal: OSM Region I. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Hinkle, C.R.; Ambrose, R.E.; Wenzel, C.R.

    1981-02-01

    The report contains information to assist in protecting, enhancing, and reducing impacts to fish and wildlife resources during surface mining of coal. It gives information on the premining, mining, reclamation and compliance phases of surface mining. Methods and sources to obtain information to satisfy state and Federal regulations are presented. This volume is specifically for the states of Maine, Vermont, New Hampshire, Massachusetts, Connecticut, New York, Rhode Island, Pennsylvania, New Jersey, Delaware, Maryland, West Virginia and Virginia.

  20. Summary of fish and wildlife information needs to surface mine coal in the United States. Part 3. A handbook for meeting fish and wildlife information needs to surface mine coal: OSM Region II. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Hinkle, C.R.; Ambrose, R.E.; Wenzel, C.R.

    1981-02-01

    The report contains information to assist in protecting, enhancing, and reducing impacts to fish and wildlife resources during surface mining of coal. It gives information on the premining, mining, reclamation and compliance phases of surface mining. Methods and sources to obtain information to satisfy state and Federal regulations are presented. This volume is specifically for the states of Kentucky, Tennessee, North Carolina, South Carolina, Georgia, Alabama, Mississippi and Florida.

  1. Summary of fish and wildlife information needs to surface mine coal in the United States. Part 3. A handbook for meeting fish and wildlife information needs to surface mine coal: OSM Region V. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Hinkle, C.R.; Ambrose, R.E.; Wenzel, C.R.

    1981-02-01

    This report contains information to assist in protecting, enhancing, and reducing impacts to fish and wildlife resources during surface mining of coal. It gives information on the premining, mining, reclamation and compliance phases of surface mining. This volume is specifically for the states of Washington, Idaho, Montana, North Dakota, South Dakota, Wyoming, Oregon, California, Nevada, Utah, Colorado, Arizona and New Mexico.

  2. Surface state of GaN after rapid-thermal-annealing using AlN cap-layer

    Energy Technology Data Exchange (ETDEWEB)

    El-Zammar, G., E-mail: georgio.elzammar@univ-tours.fr [Université François Rabelais, Tours, GREMAN, CNRS UMR 7347, 10 rue Thalès de Milet CS 97155, 37071 Tours Cedex 2 (France); Khalfaoui, W. [Université François Rabelais, Tours, GREMAN, CNRS UMR 7347, 10 rue Thalès de Milet CS 97155, 37071 Tours Cedex 2 (France); Oheix, T. [Université François Rabelais, Tours, GREMAN, CNRS UMR 7347, 10 rue Thalès de Milet CS 97155, 37071 Tours Cedex 2 (France); STMicroelectronics, 10 rue Thalès de Milet CS 97155, 37071 Tours Cedex 2 (France); Yvon, A.; Collard, E. [STMicroelectronics, 10 rue Thalès de Milet CS 97155, 37071 Tours Cedex 2 (France); Cayrel, F.; Alquier, D. [Université François Rabelais, Tours, GREMAN, CNRS UMR 7347, 10 rue Thalès de Milet CS 97155, 37071 Tours Cedex 2 (France)

    2015-11-15

    Graphical abstract: Surface state of a crack-free AlN cap-layer reactive sputtered on GaN and annealed at high temperature showing a smooth, pit-free surface. - Highlights: • We deposit a crystalline AlN layer by reactive magnetron sputtering on GaN. • We show the effect of deposition parameters of AlN by reactive magnetron sputtering on the quality of the grown layer. • We demonstrate the efficiency of double cap-layer for GaN protection during high temperature thermal treatments. • We show an efficient selective etch of AlN without damaging GaN surface. - Abstract: Critical issues need to be overcome to produce high performance Schottky diodes on gallium nitride (GaN). To activate dopant, high temperature thermal treatments are required but damage GaN surface where hexagonal pits appear and prevent any device processing. In this paper, we investigated the efficiency of cap-layers on GaN during thermal treatments to avoid degradation. Aluminum nitride (AlN) and silicon oxide (SiO{sub x}) were grown on GaN by direct current reactive magnetron sputtering and plasma-enhanced chemical vapor deposition, respectively. AlN growth parameters were studied to understand their effect on the grown layers and their protection efficiency. Focused ion beam was used to measure AlN layer thickness. Crystalline quality and exact composition were verified using X-ray diffraction and energy dispersive X-ray spectroscopy. Two types of rapid thermal annealing at high temperatures were investigated. Surface roughness and pits density were evaluated using atomic force microscopy and scanning electron microscopy. Cap-layers wet etching was processed in H{sub 3}PO{sub 4} at 120 °C for AlN and in HF (10%) for SiO{sub x}. This work reveals effective protection of GaN during thermal treatments at temperatures as high as 1150 °C. Low surface roughness was obtained. Furthermore, no hexagonal pit was observed on the surface.

  3. Effect of structural modulation and thickness of a graphene overlayer on the binding energy of the Rashba-type surface state of Ir(111)

    International Nuclear Information System (INIS)

    Sánchez-Barriga, J; Marchenko, D; Rader, O; Varykhalov, A; Bihlmayer, G; Wortmann, D

    2013-01-01

    The Ir(111) surface is known to host a surface state with a giant spin–orbit splitting due to the Rashba effect. This surface state is stable even in air when Ir is protected with an epitaxial graphene overlayer. In the present paper, we reveal an effect allowing one to tune the binding energy of this spin-split surface state up and down and demonstrate the practical application of this effect by two different approaches. The first approach is related to a decoration of the moiré pattern of single-layer graphene on Ir(111) by self-assembled nanoclusters of different compositions. The clusters locally pin graphene to the Ir substrate and enhance the amplitude of its structural corrugation, which, in turn, leads to an increase in the surface state binding energy. The second approach is related to the synthesis of few-layer graphene on Ir(111) by segregation of carbon. Additional graphene layers induce a shift of the Ir surface state towards lower binding energies and bring it almost to the Fermi level. Based on density functional calculations performed for the graphene/Ir(111) system, we show that in both cases the effect causing the binding energy shifts is intimately related to the distance between graphene and the Ir surface, which is subject to change due to deposition of clusters or by increasing the amount of graphene overlayers. In contrast, the observed spin–orbit splitting of the Ir(111) surface state remains remarkably robust and constant in all cases. Our theoretical analysis reveals that such stability can be explained by the localization properties of the Ir surface state that is a deep surface resonance. (paper)

  4. Rapid deterioration of sediment surface habitats in Bellingham Bay, Washington State, as indicated by benthic foraminifera.

    Science.gov (United States)

    Nesbitt, Elizabeth A; Martin, Ruth A; Martin, David E; Apple, Jude

    2015-08-15

    Foraminiferal assemblages in sediment grab samples were utilized to evaluate the impacts of anthropogenic activities on benthic habitats in Bellingham Bay, Washington State, U.S.A. Seventy-three samples taken in 1987, 1997, 2006 and 2010 yielded 35 species of foraminifera from 28 genera. Assemblage composition and diversity data indicate a marked deterioration between 1987 and 2010, contrary to the published Chemical Index, but analogous to the situation with macrobiota. Correlation of diversity with chemical pollutants and metals did not identify any significant correlations, however, an unrelated but highly relevant study of bottom water dissolved oxygen concentrations and pH in Bellingham Bay suggests eutrophication with accompanying hypoxia and acidification may be part of the cause. Thus, the metrics of contamination alone do not adequately characterize habitat viability, and benthic foraminiferal assemblages provide insight into the health of coastal ecosystems. Published by Elsevier Ltd.

  5. Solid-state surface luminescence of polycyclic aromatic hydrocarbons adsorbed on cellulose diacetate matrices

    Science.gov (United States)

    Rogacheva, Svetlana M.; Shipovskaya, Anna B.; Volkova, Elena V.; Khurshudyan, Grachia N.; Suska-Malawska, Malgorzata; Gubina, Tamara I.

    2018-04-01

    The spectral-kinetic characteristics of luminescence of 17 polycyclic aromatic hydrocarbons (PAH) sorbed from a "water-organic solvent" medium on cellulose diacetate (CDA) matrices were studied. A significant increase in the fluorescence signal on the CDA matrix was observed for 13 PAHs in comparison with aqueous solutions. The highest detection sensitivity was found for pyrene, benzo(a)pyrene, and benzo(k)fluoranthene. The fluorescence spectra of two PAH indicator pairs (anthracene-phenanthrene and pyrene-fluoranthene) used to control toxicant emission sources were studied with the simultaneous presence of isomers in the analyte, depending on the excitation wavelength. For both isomer pairs, it has been found that the spectra of their solid-state luminescence overlap insignificantly, the characteristic peaks do not coincide and do not overlap, the sensitivities of detection are close to each other, which makes it possible to consider this technique as promising to control PAH contamination sources.

  6. Chaos control of the micro-electro-mechanical resonator by using adaptive dynamic surface technology with extended state observer

    International Nuclear Information System (INIS)

    Luo, Shaohua; Sun, Quanping; Cheng, Wei

    2016-01-01

    This paper addresses chaos control of the micro-electro- mechanical resonator by using adaptive dynamic surface technology with extended state observer. To reveal the mechanism of the micro- electro-mechanical resonator, the phase diagrams and corresponding time histories are given to research the nonlinear dynamics and chaotic behavior, and Homoclinic and heteroclinic chaos which relate closely with the appearance of chaos are presented based on the potential function. To eliminate the effect of chaos, an adaptive dynamic surface control scheme with extended state observer is designed to convert random motion into regular motion without precise system model parameters and measured variables. Putting tracking differentiator into chaos controller solves the ‘explosion of complexity’ of backstepping and poor precision of the first-order filters. Meanwhile, to obtain high performance, a neural network with adaptive law is employed to approximate unknown nonlinear function in the process of controller design. The boundedness of all the signals of the closed-loop system is proved in theoretical analysis. Finally, numerical simulations are executed and extensive results illustrate effectiveness and robustness of the proposed scheme.

  7. Ultrafast terahertz spectroscopy study of a Kondo insulating thin-film Sm B6 : Evidence for an emergent surface state

    Science.gov (United States)

    Zhang, Jingdi; Yong, Jie; Takeuchi, Ichiro; Greene, Richard L.; Averitt, Richard D.

    2018-04-01

    We utilize terahertz time domain spectroscopy to investigate thin films of the heavy fermion compound Sm B6 , a prototype Kondo insulator. Temperature-dependent terahertz (THz) conductivity measurements reveal a rapid decrease in the Drude weight and carrier scattering rate at ˜T*=20 K , well below the hybridization gap onset temperature (100 K). Moreover, a low-temperature conductivity plateau (below 20 K) suggests the emergence of a surface state with an effective electron mass of 0.1 me . The conductivity dynamics following optical excitation is also measured and interpreted using Rothwarf-Taylor (R-T) phenomenology, yielding a hybridization gap energy of 17 meV. However, R-T modeling of the conductivity dynamics reveals a deviation from the expected thermally excited quasiparticle density at temperatures below 20 K, indicative of another channel opening up in the low-energy electrodynamics. Taken together, these results are consistent with the onset of a surface state well below the crossover temperature (100 K) after long-range coherence of the f -electron Kondo lattice is established.

  8. Dynamic and steady state performance comparison of line-start permanent magnet synchronous motors with interior and surface rotor magnets

    Directory of Open Access Journals (Sweden)

    Ogbuka Cosmas

    2016-03-01

    Full Text Available A comprehensive comparison of the dynamic and steady state performance characteristics of permanent magnet synchronous motors (PMSM with interior and surface rotor magnets for line-start operation is presented. The dynamic model equations of the PMSM, with damper windings, are utilized for dynamic studies. Two typical loading scenarios are examined: step and ramp loading. The interior permanent magnet synchronous motor (IPMSM showed superior asynchronous performance under no load, attaining faster synchronism compared to the surface permanent magnet synchronous motor (SPMSM. With step load of 10 Nm at 2 s the combined effect of the excitation and the reluctance torque forced the IPMSM to pull into synchronism faster than the SPMSM which lacks saliency. The ability of the motors to withstand gradual load increase, in the synchronous mode, was examined using ramp loading starting from zero at 2 s. SPMSM lost synchronism at 12 s under 11 Nm load while the IPMSM sustained synchronism until 41 seconds under 40 Nm load. This clearly suggests that the IPMSM has superior load-withstand capability. The superiority is further buttressed with the steady state torque analysis where airgap torque in IPMSM is enhanced by the reluctance torque within 90° to 180° torque angle.

  9. Calculating the Jc, B, T surface for commercial niobium tin conductors using a reduced state model

    International Nuclear Information System (INIS)

    Green, M.A.

    1993-07-01

    This report presents a method for calculating the J c , B, T critical surface for commercial grade niobium tin given an effective T c and B c2 and J c over a range of magnetic inductions B. Given the effective T c and B c2 and J c , one can estimate the J c over a range of magnetic inductions from 0.1 T to 0.8 times effective B c2 and a range of temperatures from 1.5 K to about 14 K. The effects of conductor strain can also be estimated using the method. A comparison between calculated values of J c and measurements is illustrated for a number of cases. The method presented in this report can be used to estimate the performance of niobium tin in magnets at temperatures different from those where measured data is available. The method of calculating the J c can also be used to estimate the effects of superconductor magnetization on the field quality at low fields

  10. Effects of QD surface coverage in solid-state PbS quantum dot-sensitized solar cells

    KAUST Repository

    Roelofs, Katherine E.; Brennan, Thomas P.; Trejo, Orlando; Xu, John; Prinz, Fritz B.; Bent, Stacey F.

    2013-01-01

    Lead sulfide quantum dots (QDs) were grown in situ on nanoporous TiO 2 by successive ion layer adsorption and reaction (SILAR) and by atomic layer deposition (ALD), to fabricate solid-state quantum-dot sensitized solar cells (QDSSCs). With the ultimate goal of increasing QD surface coverage, this work compares the impact of these two synthetic routes on the light absorption and electrical properties of devices. A higher current density was observed in the SILAR-grown QD devices under reverse bias, as compared to ALD-grown QD devices, attributed to injection problems of the lower-band-gap QDs present in the SILAR-grown QD device. To understand the effects of QD surface coverage on device performance, particularly interfacial recombination, electron lifetimes were measured for varying QD deposition cycles. Electron lifetimes were found to decrease with increasing SILAR cycles, indicating that the expected decrease in recombination between electrons in the TiO2 and holes in the hole-transport material, due to increased QD surface coverage, is not the dominant effect of increased deposition cycles. © 2013 IEEE.

  11. Effects of QD surface coverage in solid-state PbS quantum dot-sensitized solar cells

    KAUST Repository

    Roelofs, Katherine E.

    2013-06-01

    Lead sulfide quantum dots (QDs) were grown in situ on nanoporous TiO 2 by successive ion layer adsorption and reaction (SILAR) and by atomic layer deposition (ALD), to fabricate solid-state quantum-dot sensitized solar cells (QDSSCs). With the ultimate goal of increasing QD surface coverage, this work compares the impact of these two synthetic routes on the light absorption and electrical properties of devices. A higher current density was observed in the SILAR-grown QD devices under reverse bias, as compared to ALD-grown QD devices, attributed to injection problems of the lower-band-gap QDs present in the SILAR-grown QD device. To understand the effects of QD surface coverage on device performance, particularly interfacial recombination, electron lifetimes were measured for varying QD deposition cycles. Electron lifetimes were found to decrease with increasing SILAR cycles, indicating that the expected decrease in recombination between electrons in the TiO2 and holes in the hole-transport material, due to increased QD surface coverage, is not the dominant effect of increased deposition cycles. © 2013 IEEE.

  12. Inhomogeneous Weyl and Dirac Semimetals: Transport in Axial Magnetic Fields and Fermi Arc Surface States from Pseudo-Landau Levels

    Science.gov (United States)

    Grushin, Adolfo G.; Venderbos, Jörn W. F.; Vishwanath, Ashvin; Ilan, Roni

    2016-10-01

    Topological Dirac and Weyl semimetals have an energy spectrum that hosts Weyl nodes appearing in pairs of opposite chirality. Topological stability is ensured when the nodes are separated in momentum space and unique spectral and transport properties follow. In this work, we study the effect of a space-dependent Weyl node separation, which we interpret as an emergent background axial-vector potential, on the electromagnetic response and the energy spectrum of Weyl and Dirac semimetals. This situation can arise in the solid state either from inhomogeneous strain or nonuniform magnetization and can also be engineered in cold atomic systems. Using a semiclassical approach, we show that the resulting axial magnetic field B5 is observable through an enhancement of the conductivity as σ ˜B52 due to an underlying chiral pseudomagnetic effect. We then use two lattice models to analyze the effect of B5 on the spectral properties of topological semimetals. We describe the emergent pseudo-Landau-level structure for different spatial profiles of B5, revealing that (i) the celebrated surface states of Weyl semimetals, the Fermi arcs, can be reinterpreted as n =0 pseudo-Landau levels resulting from a B5 confined to the surface, (ii) as a consequence of position-momentum locking, a bulk B5 creates pseudo-Landau levels interpolating in real space between Fermi arcs at opposite surfaces, and (iii) there are equilibrium bound currents proportional to B5 that average to zero over the sample, which are the analogs of bound currents in magnetic materials. We conclude by discussing how our findings can be probed experimentally.

  13. Surface and airborne measurements of organosulfur and methanesulfonate over the western United States and coastal areas

    Science.gov (United States)

    Sorooshian, Armin; Crosbie, Ewan; Maudlin, Lindsay C.; Youn, Jong-Sang; Wang, Zhen; Shingler, Taylor; Ortega, Amber M.; Hersey, Scott; Woods, Roy K.

    2015-08-01

    This study reports on ambient measurements of organosulfur (OS) and methanesulfonate (MSA) over the western United States and coastal areas. Particulate OS levels are highest in summertime and generally increase as a function of sulfate (a precursor) and sodium (a marine tracer) with peak levels at coastal sites. The ratio of OS to total sulfur is also highest at coastal sites, with increasing values as a function of normalized difference vegetation index and the ratio of organic carbon to elemental carbon. Correlative analysis points to significant relationships between OS and biogenic emissions from marine and continental sources, factors that coincide with secondary production, and vanadium due to a suspected catalytic role. A major OS species, methanesulfonate (MSA), was examined with intensive field measurements, and the resulting data support the case for vanadium's catalytic influence. Mass size distributions reveal a dominant MSA peak between aerodynamic diameters of 0.32-0.56 µm at a desert and coastal site with nearly all MSA mass (≥84%) in submicrometer sizes; MSA:non-sea-salt sulfate ratios vary widely as a function of particle size and proximity to the ocean. Airborne data indicate that relative to the marine boundary layer, particulate MSA levels are enhanced in urban and agricultural areas and also the free troposphere when impacted by biomass burning. Some combination of fires and marine-derived emissions leads to higher MSA levels than either source alone. Finally, MSA differences in cloud water and out-of-cloud aerosol are discussed.

  14. Investigations into the Surface Strain/Stress State in a Single-Crystal Superalloy via XRD Characterization

    Directory of Open Access Journals (Sweden)

    Haodong Duan

    2018-05-01

    Full Text Available The present study was aimed at determining the surface strain/stress state in an Ni-based single-crystal (SC superalloy that was subjected to two different cooling rates from solid solution temperature through using the X-ray diffraction (XRD method. The normal stresses σ 11 s and σ 22 s were determined, then the Von Mises stresses ( σ V M s were derived from them. Field emission gun scanning electron microscope (FEG-SEM and transmission electron microscope (TEM micrographs were taken to illustrate the strain/stress state change. The precipitation of the secondary γ′ phases in the γ phase and the formation of the dislocation in the interphase upon a slower cooling rate caused the γ phase lattice distortion to increase, so a larger σ V M s of the γ phase was realized in comparison to the faster cooling sample. For both of the two cooling modes, we found that the σ V M s of the γ′ phase increased due to the growth of the γ′ phase during the aging process. Also, the aging process led to pronouncedly anisotropic lattice mismatches in the {331} and {004} planes. In addition, the surface strain/stress states of a cylinder sample and a tetragonal sample were also studied using a faster cooling rate, and σ 11 s and σ 22 s were analyzed to explain the influence of the shape factor on the stress anisotropy in the [001] and [ 1 1 ¯ 0 ] orientations. The strain in the [001] orientation of the γ phase is more sensitive to the shape change.

  15. Unconventional oil and gas spills: Materials, volumes, and risks to surface waters in four states of the U.S.

    Science.gov (United States)

    Maloney, Kelly O; Baruch-Mordo, Sharon; Patterson, Lauren A; Nicot, Jean-Philippe; Entrekin, Sally A; Fargione, Joseph E; Kiesecker, Joseph M; Konschnik, Kate E; Ryan, Joseph N; Trainor, Anne M; Saiers, James E; Wiseman, Hannah J

    2017-03-01

    Extraction of oil and gas from unconventional sources, such as shale, has dramatically increased over the past ten years, raising the potential for spills or releases of chemicals, waste materials, and oil and gas. We analyzed spill data associated with unconventional wells from Colorado, New Mexico, North Dakota and Pennsylvania from 2005 to 2014, where we defined unconventional wells as horizontally drilled into an unconventional formation. We identified materials spilled by state and for each material we summarized frequency, volumes and spill rates. We evaluated the environmental risk of spills by calculating distance to the nearest stream and compared these distances to existing setback regulations. Finally, we summarized relative importance to drinking water in watersheds where spills occurred. Across all four states, we identified 21,300 unconventional wells and 6622 reported spills. The number of horizontal well bores increased sharply beginning in the late 2000s; spill rates also increased for all states except PA where the rate initially increased, reached a maximum in 2009 and then decreased. Wastewater, crude oil, drilling waste, and hydraulic fracturing fluid were the materials most often spilled; spilled volumes of these materials largely ranged from 100 to 10,000L. Across all states, the average distance of spills to a stream was highest in New Mexico (1379m), followed by Colorado (747m), North Dakota (598m) and then Pennsylvania (268m), and 7.0, 13.3, and 20.4% of spills occurred within existing surface water setback regulations of 30.5, 61.0, and 91.4m, respectively. Pennsylvania spills occurred in watersheds with a higher relative importance to drinking water than the other three states. Results from this study can inform risk assessments by providing improved input parameters on volume and rates of materials spilled, and guide regulations and the management policy of spills. Published by Elsevier B.V.

  16. Splitting Fermi Surfaces and Heavy Electronic States in Non-Centrosymmetric U3Ni3Sn4

    Science.gov (United States)

    Maurya, Arvind; Harima, Hisatomo; Nakamura, Ai; Shimizu, Yusei; Homma, Yoshiya; Li, DeXin; Honda, Fuminori; Sato, Yoshiki J.; Aoki, Dai

    2018-04-01

    We report the single-crystal growth of the non-centrosymmetric paramagnet U3Ni3Sn4 by the Bridgman method and the Fermi surface properties detected by de Haas-van Alphen (dHvA) experiments. We have also investigated single-crystal U3Ni3Sn4 by single-crystal X-ray diffraction, magnetization, electrical resistivity, and heat capacity measurements. The angular dependence of the dHvA frequencies reveals many closed Fermi surfaces, which are nearly spherical in topology. The experimental results are in good agreement with local density approximation (LDA) band structure calculations based on the 5f-itinerant model. The band structure calculation predicts many Fermi surfaces, mostly with spherical shape, derived from 12 bands crossing the Fermi energy. To our knowledge, the splitting of Fermi surfaces due to the non-centrosymmetric crystal in 5f-electron systems is experimentally detected for the first time. The temperature dependence of the dHvA amplitude reveals a large cyclotron effective mass of up to 35 m0, indicating the heavy electronic state of U3Ni3Sn4 due to the proximity of the quantum critical point. From the field dependence of the dHvA amplitude, a mean free path of conduction electrons of up to 1950 Å is detected, reflecting the good quality of the grown crystal. The small splitting energy related to the antisymmetric spin-orbit interaction is most likely due to the large cyclotron effective mass.

  17. Non-uniqueness of quantum transition state theory and general dividing surfaces in the path integral space.

    Science.gov (United States)

    Jang, Seogjoo; Voth, Gregory A

    2017-05-07

    Despite the fact that quantum mechanical principles do not allow the establishment of an exact quantum analogue of the classical transition state theory (TST), the development of a quantum TST (QTST) with a proper dynamical justification, while recovering the TST in the classical limit, has been a long standing theoretical challenge in chemical physics. One of the most recent efforts of this kind was put forth by Hele and Althorpe (HA) [J. Chem. Phys. 138, 084108 (2013)], which can be specified for any cyclically invariant dividing surface defined in the space of the imaginary time path integral. The present work revisits the issue of the non-uniqueness of QTST and provides a detailed theoretical analysis of HA-QTST for a general class of such path integral dividing surfaces. While we confirm that HA-QTST reproduces the result based on the ring polymer molecular dynamics (RPMD) rate theory for dividing surfaces containing only a quadratic form of low frequency Fourier modes, we find that it produces different results for those containing higher frequency imaginary time paths which accommodate greater quantum fluctuations. This result confirms the assessment made in our previous work [Jang and Voth, J. Chem. Phys. 144, 084110 (2016)] that HA-QTST does not provide a derivation of RPMD-TST in general and points to a new ambiguity of HA-QTST with respect to its justification for general cyclically invariant dividing surfaces defined in the space of imaginary time path integrals. Our analysis also offers new insights into similar path integral based QTST approaches.

  18. Amorphous surface layer versus transient amorphous precursor phase in bone - A case study investigated by solid-state NMR spectroscopy.

    Science.gov (United States)

    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

  19. Theoretical investigation of potential energy surface and bound states for the van der Waals complex Ar–BrCl dimer

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Rui [School of Mathematics and Information Science, North China University of Water Resources and Electric Power, Zhengzhou (China); Key Laboratory of Magnetic Resonance in Biological Systems, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Centre for Magnetic Resonance, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan (China); Li, Song, E-mail: lsong@yangtzeu.edu.cn [School of Physics and Optoelectronic Engineering, Yangtze University, Jingzhou (China); Chen, Shan-Jun; Chen, Yan [School of Physics and Optoelectronic Engineering, Yangtze University, Jingzhou (China); Zheng, Li-Min [Key Laboratory of Magnetic Resonance in Biological Systems, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Centre for Magnetic Resonance, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan (China)

    2015-09-08

    Highlights: • A two-dimensional potential for Ar–BrCl is constructed at the CCSD(T) level. • The PES is characterized by three minima and two saddle points between them. • Bound state calculations were carried out for the complex. - Abstract: The intermolecular potential energy surface (PES) of the ground electronic state for the Ar–BrCl dimer is constructed at the CCSD(T) level with the aug-cc-pVQZ basis set and mid-bond functions. The PES is characterized by three minima and two saddle points. The global minimum corresponding to a collinear Ar–BrCl configuration, which has been observed experimentally, is located at R = 4.10 Å and θ = 2.5° with a well depth of −285.207 cm{sup −1}. A nearly T-shaped structure and an anti-linear Ar–ClBr geometry is also predicted. The bound state calculations are preformed to study intermolecular vibrational modes, rotational levels and average structures for the complex. Our transition frequencies, spectroscopic constants and average structures for all isotopomers of the collinear isomer agree well with experimental data. We have also provided pure rotational transitional frequencies for both nearly T-shaped and anti-linear isomers. These results are significant for further experimental investigations of the Ar–BrCl dimer.

  20. Surface structure and electronic states of epitaxial β-FeSi.sub.2./sub.(100)/Si(001) thin films: Combined quantitative LEED, ab initio DFT, and STM study

    Czech Academy of Sciences Publication Activity Database

    Romanyuk, Olexandr; Hattori, K.; Someta, M.; Daimon, H.

    2014-01-01

    Roč. 90, č. 15 (2014), "155305-1"-"155305-9" ISSN 1098-0121 Grant - others:AVČR(CZ) M100101201; Murata Science Foundation(JP) Project n. 00295 Institutional support: RVO:68378271 Keywords : iron silicide * LEED I-V * DFT * STM * surface reconstruction * surface states Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

  1. Strategies for reducing the impacts of surface transportation on global climate change : a synthesis of policy research and state and local mitigation strategies

    Science.gov (United States)

    2009-03-01

    Climate change is likely to have more impact on the future of surface transportation than any other issue. The challenges and implications for surface transportation and for state DOTs include: the need to support major GHG reductions, the need to me...

  2. THE STATE OF CELL MEDIATED IMMUNITY AMONG HEPATITIS B SURFACE ,ANTGENI CARRIERS IN IRAN,

    Directory of Open Access Journals (Sweden)

    A. MASSOUD

    1987-06-01

    Full Text Available Cell-mediated immune (CMI s t a t us and sub- popul at i ons o f pe r ipheral b l ood lymphocytes were investigated in one hundre d volunt a ry blood donors who were car r ier s of Ag • HE S A signi f i c ant decr e ase of t otal T-cells observed in HB Ag carri e rs as compared t o normal controls. The percenS t age o f active T-cells a nd B-lymphocytes did not d i f f e r signi f icant ly between the t wo groups ."nAddi t ion of aut ologous serum from HE Ag c a r r iers t o s t heir l ymphocyt e s reduced the numbe r of detectabl e cells in HE Ag carriers . This reduction coul d be due to the s presence of a r osette i nhi bitory f actor in their serum. Our studies demonstrated a failur e o f CMI among HB Ags car r i ers detected by the l e ukocyte migr ation i nhibition (LMI test. This failure cannot be attributed to the presence of HE Ag-AB complexes in their serum. It is s possible that specific failure of CMI allows the hepatitis B virus to remain harmless in carriers a Hepatitis B surface-antigen (HE Ag; Hepatitis Bs coreantigen (HE Ag and Hepatitis Be-antigen (HE Ag, c e have been established as indicating ineffectivity in viral hepatitis B ({I, 6 , 20, 28."nA number of infected individuals also developed clini cal evidence of disease and HE Ag may s the serum of some subjects for a long rema•ln present I•n time (18. It has been suggested that to a defect in CMI, the persistence of HB Ag s whether liver disease is is related present or not, and impairment of the lymphocyte response to phytohaemagglutinin (PHA in this group is presented in evide•"nnee (8, •9 , 13, 24, 25 .In contrast, other workers report a normal respons e t o PHA in healthy carriers of HE Ag and s they concludE that the defective T-cell response is relat ed to the live!' disease rather than the immune system (31. Dudley et al (8 have suggested that liver damage occurring after hepatitis B infection, may be an effect of thymus-dependent lymphocytes (12."n

  3. Saddle-like topological surface states on the T T'X family of compounds (T , T' = Transition metal, X =Si , Ge)

    Science.gov (United States)

    Singh, Bahadur; Zhou, Xiaoting; Lin, Hsin; Bansil, Arun

    2018-02-01

    Topological nodal-line semimetals are exotic conductors that host symmetry-protected conducting nodal lines in their bulk electronic spectrum and nontrivial drumhead states on the surface. Based on first-principles calculations and an effective model analysis, we identify the presence of topological nodal-line semimetal states in the low crystalline symmetric T T'X family of compounds (T ,T' = transition metal, X = Si or Ge) in the absence of spin-orbit coupling (SOC). Taking ZrPtGe as an exemplar system, we show that owing to small lattice symmetry this material harbors a single nodal line on the ky=0 plane with large energy dispersion and unique drumhead surface state with a saddlelike energy dispersion. When the SOC is included, the nodal line gaps out and the system transitions to a strong topological insulator state with Z2=(1 ;000 ) . The topological surface state evolves from the drumhead surface state via the sharing of its saddlelike energy dispersion within the bulk energy gap. These features differ remarkably from those of the currently known topological surface states in topological insulators such as Bi2Se3 with Dirac-cone-like energy dispersions.

  4. Triplet and ground state potential energy surfaces of 1,4-diphenyl-1,3-butadiene: theory and experiment.

    Science.gov (United States)

    Saltiel, J; Dmitrenko, O; Pillai, Z S; Klima, R; Wang, S; Wharton, T; Huang, Z-N; van de Burgt, L J; Arranz, J

    2008-05-01

    Relative energies of the ground state isomers of 1,4-diphenyl-1,3-butadiene (DPB) are determined from the temperature dependence of equilibrium isomer compositions obtained with the use of diphenyl diselenide as catalyst. Temperature and concentration effects on photostationary states and isomerization quantum yields with biacetyl or fluorenone as triplet sensitizers with or without the presence of O(2), lead to significant modification of the proposed DPB triplet potential energy surface. Quantum yields for ct-DPB formation from tt-DPB increase with [tt-DPB] revealing a quantum chain process in the tt --> ct direction, as had been observed for the ct --> tt direction, and suggesting an energy minimum at the (3)ct* geometry. They confirm the presence of planar and twisted isomeric triplets in equilibrium (K), with energy transfer from planar or quasi-planar geometries (quantum chain events from tt and ct triplets) and unimolecular decay (k(d)) from twisted geometries. Starting from cc-DPB, varphi(cc-->tt) increases with increasing [cc-DPB] whereas varphi(cc-->ct) is relatively insensitive to concentration changes. The concentration and temperature dependencies of the decay rate constants of DPB triplets in cyclohexane are consistent with the mechanism deduced from the photoisomerization quantum yields. The experimental DeltaH between (3)tt-DPB* and (3)tp-DPB*, 2.7 kcal mol(-1), is compared with the calculated energy difference [DFT with B3LYP/6-31+G(d,p) basis set]. Use of the calculated DeltaS = 4.04 eu between the two triplets gives k(d) = (2.4-6.4) x 10(7) s(-1), close to 1.70 x 10(7) s(-1), the value for twisted stilbene triplet decay. Experimental and calculated relative energies of DPB isomers on the ground and triplet state surfaces agree and theory is relied upon to deduce structural characteristics of the equilibrated conformers in the DPB triplet state.

  5. Study of atomic states in the vicinity of a massive surface - Application to the FORCA-G experiment

    International Nuclear Information System (INIS)

    Pelisson, Sophie

    2012-01-01

    This thesis presents the theoretical modeling of the experiment FORCA-G (FORce de CAsimir et Gravitation a courte distance) currently in progress at Paris Observatory. The purpose of this experiment is to measure short-range interactions between an atom and a massive surface. This interaction are of two kind: quantum electrodynamical (Casimir-Polder effect) and gravitational. The work presented here was to calculate the atomic states in the context of the experiment such that we can predict results and performances of the experiment. This has allowed to optimize the experimental scheme both for the high-precision measurement of the Casimir-Polder effect and for the search of deviation from the Newton's law of gravity predicted by unification theories. (author)

  6. Understanding and removing surface states limiting charge transport in TiO2 nanowire arrays for enhanced optoelectronic device performance.

    Science.gov (United States)

    Sheng, Xia; Chen, Liping; Xu, Tao; Zhu, Kai; Feng, Xinjian

    2016-03-01

    Charge transport within electrode materials plays a key role in determining the optoelectronic device performance. Aligned single-crystal TiO 2 nanowire arrays offer an ideal electron transport path and are expected to have higher electron mobility. Unfortunately, their transport is found not to be superior to that in nanoparticle films. Here we show that the low electron transport in rutile TiO 2 nanowires is mainly caused by surface traps in relatively deep energy levels, which cannot be removed by conventional approaches, such as oxygen annealing treatment. Moreover, we demonstrate an effective wet-chemistry approach to minimize these trap states, leading to over 20-fold enhancement in electron diffusion coefficient and 62% improvement in solar cell performance. On the basis of our results, the potential of TiO 2 NWs can be developed and well-utilized, which is significantly important for their practical applications.

  7. Application of laser interferometry for assessment of surface residual stress by determination of stress-free state

    International Nuclear Information System (INIS)

    Kim, Dong Won; Kwon, Dong Il; Lee, Nak Kyu; Choi, Tae Hoon; Na, Kyoung Hoan

    2003-01-01

    The total relaxed stress in annealing and the thermal strain/stress were obtained from the identification of the residual stress-free state using Electronic Speckle Pattern Interferometry (ESPI). The residual stress fields in case of both single and film/substrate systems were modeled using the thermo-elastic theory and the relationship between relaxed stresses and displacements. We mapped the surface residual stress fields on the indented bulk Cu and the 0.5 μm Au film by ESPI. In indented Cu, the normal and shear residual stress are distributed over -1.7 GPa to 700 MPa and -800 GPa to 600 MPa respectively around the indented point and in deposited Au film on Si wafer, the tensile residual stress is uniformly distributed on the Au film from 500 MPa to 800 MPa. Also we measured the residual stress by the X-Ray Diffractometer (XRD) for the verification of above residual stress results by ESPI

  8. Localized solid-state amorphization at grain boundaries in a nanocrystalline Al solid solution subjected to surface mechanical attrition

    Energy Technology Data Exchange (ETDEWEB)

    Wu, X [State Key Laboratory of Nonlinear Mechanics, Institute of Mechanics, Chinese Academy of Sciences, Beijing 100080 (China); Tao, N [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China); Hong, Y [State Key Laboratory of Nonlinear Mechanics, Institute of Mechanics, Chinese Academy of Sciences, Beijing 100080 (China); Lu, J [LASMIS, University of Technology of Troyes, 10000, Troyes (France); Lu, K [Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016 (China)

    2005-11-21

    Using high-resolution electron microscopy, localized solid-state amorphization (SSA) was observed in a nanocrystalline (NC) Al solid solution (weight per cent 4.2 Cu, 0.3 Mn, the rest being Al) subjected to a surface mechanical attrition treatment. It was found that the deformation-induced SSA may occur at the grain boundary (GB) where either the high density dislocations or dislocation complexes are present. It is suggested that lattice instability due to elastic distortion within the dislocation core region plays a significant role in the initiation of the localized SSA at defective sites. Meanwhile, the GB of severely deformed NC grains exhibits a continuously varying atomic structure in such a way that while most of the GB is ordered but reveals corrugated configurations, localized amorphization may occur along the same GB.

  9. A Model to Predict the Steady-State Concentration of Hydroxyl Radicals in the Surface Layer of Natural Waters

    International Nuclear Information System (INIS)

    Minero, C.; Lauri, V.; Maurino, V.; Pelizzetti, E.; Vione, D.

    2007-01-01

    A model was developed to predict the steady-state [·OH] in the surface layer of natural waters as a function of nitrate, inorganic carbon (IC) and dissolved organic matter (DOM). The parameter values were studied in the range detected in shallow high-mountain lakes, to which the model results are most relevant. Calculations indicate that [·OH] increases with increasing nitrate and decreasing IC, and conditions are also identified where [·OH] is directly proportional, inversely proportional or independent of DOM. Based on the model results it is possible to predict the half-life time, due to reaction with ·OH, of given dissolved compounds, including organic pollutants, from the water composition data

  10. Steady-state characteristics of lateral p-n junction vertical-cavity surface-emitting lasers

    Science.gov (United States)

    Ryzhii, V.; Tsutsui, N.; Khmyrova, I.; Ikegami, T.; Vaccaro, P. O.; Taniyama, H.; Aida, T.

    2001-09-01

    We developed an analytical device model for lateral p-n junction vertical-cavity surface-emitting lasers (LJVCSELs) with a quantum well active region. The model takes into account the features of the carrier injection, transport, and recombination in LJVCSELs as well as the features of the photon propagation in the cavity. This model is used for the calculation and analysis of the LJVCSEL steady-state characteristics. It is shown that the localization of the injected electrons primarily near the p-n junction and the reabsorption of lateral propagating photons significantly effects the LJVCSELs performance, in particular, the LJVCSEL threshold current and power-current characteristics. The reincarnation of electrons and holes due to the reabsorption of lateral propagating photons can substantially decrease the threshold current.

  11. Precursor state of oxygen molecules on the Si(001) surface during the initial room-temperature adsorption

    Science.gov (United States)

    Hwang, Eunkyung; Chang, Yun Hee; Kim, Yong-Sung; Koo, Ja-Yong; Kim, Hanchul

    2012-10-01

    The initial adsorption of oxygen molecules on Si(001) is investigated at room temperature. The scanning tunneling microscopy images reveal a unique bright O2-induced feature. The very initial sticking coefficient of O2 below 0.04 Langmuir is measured to be ˜0.16. Upon thermal annealing at 250-600 °C, the bright O2-induced feature is destroyed, and the Si(001) surface is covered with dark depressions that seem to be oxidized structures with -Si-O-Si- bonds. This suggests that the observed bright O2-induced feature is an intermediate precursor state that may be either a silanone species or a molecular adsorption structure.

  12. State and parameter estimation of two land surface models using the ensemble Kalman filter and the particle filter

    Directory of Open Access Journals (Sweden)

    H. Zhang

    2017-09-01

    Full Text Available Land surface models (LSMs use a large cohort of parameters and state variables to simulate the water and energy balance at the soil–atmosphere interface. Many of these model parameters cannot be measured directly in the field, and require calibration against measured fluxes of carbon dioxide, sensible and/or latent heat, and/or observations of the thermal and/or moisture state of the soil. Here, we evaluate the usefulness and applicability of four different data assimilation methods for joint parameter and state estimation of the Variable Infiltration Capacity Model (VIC-3L and the Community Land Model (CLM using a 5-month calibration (assimilation period (March–July 2012 of areal-averaged SPADE soil moisture measurements at 5, 20, and 50 cm depths in the Rollesbroich experimental test site in the Eifel mountain range in western Germany. We used the EnKF with state augmentation or dual estimation, respectively, and the residual resampling PF with a simple, statistically deficient, or more sophisticated, MCMC-based parameter resampling method. The performance of the calibrated LSM models was investigated using SPADE water content measurements of a 5-month evaluation period (August–December 2012. As expected, all DA methods enhance the ability of the VIC and CLM models to describe spatiotemporal patterns of moisture storage within the vadose zone of the Rollesbroich site, particularly if the maximum baseflow velocity (VIC or fractions of sand, clay, and organic matter of each layer (CLM are estimated jointly with the model states of each soil layer. The differences between the soil moisture simulations of VIC-3L and CLM are much larger than the discrepancies among the four data assimilation methods. The EnKF with state augmentation or dual estimation yields the best performance of VIC-3L and CLM during the calibration and evaluation period, yet results are in close agreement with the PF using MCMC resampling. Overall, CLM demonstrated the

  13. Fermi Surfaces in the Antiferromagnetic, Paramagnetic and Polarized Paramagnetic States of CeRh2Si2 Compared with Quantum Oscillation Experiments

    Science.gov (United States)

    Pourret, Alexandre; Suzuki, Michi-To; Palaccio Morales, Alexandra; Seyfarth, Gabriel; Knebel, Georg; Aoki, Dai; Flouquet, Jacques

    2017-08-01

    The large quantum oscillations observed in the thermoelectric power in the antiferromagnetic (AF) state of the heavy-fermion compound CeRh2Si2 disappear suddenly when entering in the polarized paramagnetic (PPM) state at Hc ˜ 26.5 T, indicating an abrupt reconstruction of the Fermi surface. The electronic band structure was calculated using [LDA+U] for the AF state taking the correct magnetic structure into account, for the PPM state, and for the paramagnetic state (PM). Different Fermi surfaces were obtained for the AF, PM, and PPM states. Due to band folding, a large number of branches was expected and observed in the AF state. The LDA+U calculation was compared with the previous LDA calculations. Furthermore, we compared both calculations with previously published de Haas-van Alphen experiments. The better agreement with the LDA approach suggests that above the critical pressure pc CeRh2Si2 enters in a mixed-valence state. In the PPM state under a high magnetic field, the 4f contribution at the Fermi level EF drops significantly compared with that in the PM state, and the 4f electrons contribute only weakly to the Fermi surface in our approach.

  14. Influence of surface states of CuInS{sub 2} quantum dots in quantum dots sensitized photo-electrodes

    Energy Technology Data Exchange (ETDEWEB)

    Peng, Zhuoyin; Liu, Yueli [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, School of Materials Science and Engineering, Wuhan University of Technology, Wuhan 430070 (China); Wu, Lei [School of Electronic and Electrical, Wuhan Railway Vocational College of Technology, Wuhan 430205 (China); Zhao, Yinghan; Chen, Keqiang [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, School of Materials Science and Engineering, Wuhan University of Technology, Wuhan 430070 (China); Chen, Wen, E-mail: chenw@whut.edu.cn [State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, School of Materials Science and Engineering, Wuhan University of Technology, Wuhan 430070 (China)

    2016-12-01

    Graphical abstract: J–V curves of different ligands capped CuInS{sub 2} QDs sensitized TiO{sub 2} photo-electrodes. - Highlights: • DDT, OLA, MPA, and S{sup 2−} ligand capped CuInS{sub 2} quantum dot sensitized photo-electrodes are prepared. • Surface states of quantum dots greatly influence the electrochemical performance of CuInS{sub 2} quantum dot sensitized photo-electrodes. • S{sup 2−} ligand enhances the UV–vis absorption and electron–hole separation property as well as the excellent charge transfer performance of the photo-electrodes. - Abstract: Surface states are significant factor for the enhancement of electrochemical performance in CuInS{sub 2} quantum dot sensitized photo-electrodes. DDT, OLA, MPA, and S{sup 2−} ligand capped CuInS{sub 2} quantum dot sensitized photo-electrodes are prepared by thermolysis, solvethermal and ligand-exchange processes, respectively, and their optical properties and photoelectrochemical properties are investigated. The S{sup 2−} ligand enhances the UV–vis absorption and electron–hole separation property as well as the excellent charge transfer performance of the photo-electrodes, which is attributed to the fact that the atomic S{sup 2−} ligand for the interfacial region of quantum dots may improve the electron transfer rate. These S{sup 2−}-capped CuInS{sub 2} quantum dot sensitized photo-electrodes exhibit the excellent photoelectrochemical efficiency and IPCE peak value, which is higher than that of the samples with DDT, OLA and MPA ligands.

  15. Estimated anthropogenic nitrogen and phosphorus inputs to the land surface of the conterminous United States--1992, 1997, and 2002

    Science.gov (United States)

    Sprague, Lori A.; Gronberg, Jo Ann M.

    2013-01-01

    Anthropogenic inputs of nitrogen and phosphorus to each county in the conterminous United States and to the watersheds of 495 surface-water sites studied as part of the U.S. Geological Survey National Water-Quality Assessment Program were quantified for the years 1992, 1997, and 2002. Estimates of inputs of nitrogen and phosphorus from biological fixation by crops (for nitrogen only), human consumption, crop production for human consumption, animal production for human consumption, animal consumption, and crop production for animal consumption for each county are provided in a tabular dataset. These county-level estimates were allocated to the watersheds of the surface-water sites to estimate watershed-level inputs from the same sources; these estimates also are provided in a tabular dataset, together with calculated estimates of net import of food and net import of feed and previously published estimates of inputs from atmospheric deposition, fertilizer, and recoverable manure. The previously published inputs are provided for each watershed so that final estimates of total anthropogenic nutrient inputs could be calculated. Estimates of total anthropogenic inputs are presented together with previously published estimates of riverine loads of total nitrogen and total phosphorus for reference.

  16. Weak antilocalization effect due to topological surface states in Bi2Se2.1Te0.9

    Science.gov (United States)

    Shrestha, K.; Graf, D.; Marinova, V.; Lorenz, B.; Chu, C. W.

    2017-10-01

    We have investigated the weak antilocalization (WAL) effect in the p-type Bi2Se2.1Te0.9 topological system. The magnetoconductance shows a cusp-like feature at low magnetic fields, indicating the presence of the WAL effect. The WAL curves measured at different tilt angles merge together when they are plotted as a function of the normal field components, showing that surface states dominate the magnetoconductance in the Bi2Se2.1Te0.9 crystal. We have calculated magnetoconductance per conduction channel and applied the Hikami-Larkin-Nagaoka formula to determine the physical parameters that characterize the WAL effect. The number of conduction channels and the phase coherence length do not change with temperature up to T = 5 K. In addition, the sample shows a large positive magnetoresistance that reaches 1900% under a magnetic field of 35 T at T = 0.33 K with no sign of saturation. The magnetoresistance value decreases with both increasing temperature and tilt angle of the sample surface with respect to the magnetic field. The large magnetoresistance of topological insulators can be utilized in future technology such as sensors and memory devices.

  17. Physico-chemical state of mercury, cadmium, and zinc in surface waters of arid zone of the USSR

    International Nuclear Information System (INIS)

    Kulmatov, R.A.; Rakhmatov, U.; Kist, A.A.; Savenko, V.S.

    1983-01-01

    Experimental study was made on physico-chemical state of high-toxic heavy metals (Zn, Cd, and Hg) in waters of the Aral Sea and the Syr Darya and the Amu Darya rivers, representing the basic resrevoirs of surface waters of the Middle Asia. The complex of high-sensitive and selective radioanalytical techniques was developed for solution of the problem. The complex uncludes ultrafiltration, centrifugation, electrodialysis, sorption on sorbents of different nature, as well as neutron activation analysis. It was established that the major part of Hg, Cd and Zn can migrate in surface waters of the Middle Asia in the form of real and colloidal solutions. Zn and Cd are characterized by the prevalence of cationic really dissolved forms and Hg-anionic neutral and colloidal forms. The presence of the major mass of the given elements in the form of real and the finest colloids which are rather stable forms and can be transfered to long distances points to the promising character of applying hydrochemical methods of prospecting in arid zone of the USSR, because dispersion aureoles must be sufficiently wide. Possibility of formation of large aureoles of natural water contamination in the regions of mining and metallurgical enterprises must be considered as well

  18. Do contaminants originating from state-of-the-art treated wastewater impact the ecological quality of surface waters?

    Science.gov (United States)

    Stalter, Daniel; Magdeburg, Axel; Quednow, Kristin; Botzat, Alexandra; Oehlmann, Jörg

    2013-01-01

    Since the 1980s, advances in wastewater treatment technology have led to considerably improved surface water quality in the urban areas of many high income countries. However, trace concentrations of organic wastewater-associated contaminants may still pose a key environmental hazard impairing the ecological quality of surface waters. To identify key impact factors, we analyzed the effects of a wide range of anthropogenic and environmental variables on the aquatic macroinvertebrate community. We assessed ecological water quality at 26 sampling sites in four urban German lowland river systems with a 0-100% load of state-of-the-art biological activated sludge treated wastewater. The chemical analysis suite comprised 12 organic contaminants (five phosphor organic flame retardants, two musk fragrances, bisphenol A, nonylphenol, octylphenol, diethyltoluamide, terbutryn), 16 polycyclic aromatic hydrocarbons, and 12 heavy metals. Non-metric multidimensional scaling identified organic contaminants that are mainly wastewater-associated (i.e., phosphor organic flame retardants, musk fragrances, and diethyltoluamide) as a major impact variable on macroinvertebrate species composition. The structural degradation of streams was also identified as a significant factor. Multiple linear regression models revealed a significant impact of organic contaminants on invertebrate populations, in particular on Ephemeroptera, Plecoptera, and Trichoptera species. Spearman rank correlation analyses confirmed wastewater-associated organic contaminants as the most significant variable negatively impacting the biodiversity of sensitive macroinvertebrate species. In addition to increased aquatic pollution with organic contaminants, a greater wastewater fraction was accompanied by a slight decrease in oxygen concentration and an increase in salinity. This study highlights the importance of reducing the wastewater-associated impact on surface waters. For aquatic ecosystems in urban areas this

  19. Seroprevalence of Hepatitis B Surface Antigen and Occupational Risk Factors Among Health Care Workers in Ekiti State, Nigeria

    Science.gov (United States)

    Alese, Oluwole Ojo; Ohunakin, Afolabi; Oluyide, Peter Olumuyiwa

    2016-01-01

    Introduction Hepatitis B virus (HBV) infection is contracted from blood and other body fluid making healthcare workers (HCW) prone to the infection especially in the developing world. Though it is a vaccine preventable disease, the level of awareness and universal precaution among HCW is low in sub-Saharan African and Asia. Aim The study was aimed at determining the seroprevalence of hepatitis B surface antigen and occupational risk factors among health care workers at Ekiti State University Teaching Hospital, Ado Ekiti. Materials and Methods One hundred and eighty-seven (187) blood samples were collected from volunteer subjects who comprised of medical doctors, nurses, health attendants, and porters who are in regular contact with blood, body fluids and patients after informed consent. Well detailed and structured questionnaires were used to obtain demographic and other relevant data from the subjects. Blood samples were tested by Enzyme Linked Immunosorbent assay (ELISA) for hepatitis B surface antigen. Results Out of the 187 HCWs there were 91 males (48.7%) and 96 (51.3%) females. Only 2 participants tested positive to hepatitis B surface antigen with a prevalence of 1.1%. Also, only 30 (16.0%) of the participants had been fully vaccinated against the infection while the remaining 157(84.0%) had no adult vaccination. Conclusion It is obvious that the awareness of the infection is low among the HCWs studied thus the need to incorporate screening for HbsAg and vaccination against HBV into the periodic/pre-employment health intervention programmes by employers to help in the protection of HCWs and control the spread of the virus. PMID:27042489

  20. Seroprevalence of Hepatitis B Surface Antigen and Occupational Risk Factors Among Health Care Workers in Ekiti State, Nigeria.

    Science.gov (United States)

    Alese, Oluwole Ojo; Alese, Margaret Olutayo; Ohunakin, Afolabi; Oluyide, Peter Olumuyiwa

    2016-02-01

    Hepatitis B virus (HBV) infection is contracted from blood and other body fluid making healthcare workers (HCW) prone to the infection especially in the developing world. Though it is a vaccine preventable disease, the level of awareness and universal precaution among HCW is low in sub-Saharan African and Asia. The study was aimed at determining the seroprevalence of hepatitis B surface antigen and occupational risk factors among health care workers at Ekiti State University Teaching Hospital, Ado Ekiti. One hundred and eighty-seven (187) blood samples were collected from volunteer subjects who comprised of medical doctors, nurses, health attendants, and porters who are in regular contact with blood, body fluids and patients after informed consent. Well detailed and structured questionnaires were used to obtain demographic and other relevant data from the subjects. Blood samples were tested by Enzyme Linked Immunosorbent assay (ELISA) for hepatitis B surface antigen. Out of the 187 HCWs there were 91 males (48.7%) and 96 (51.3%) females. Only 2 participants tested positive to hepatitis B surface antigen with a prevalence of 1.1%. Also, only 30 (16.0%) of the participants had been fully vaccinated against the infection while the remaining 157(84.0%) had no adult vaccination. It is obvious that the awareness of the infection is low among the HCWs studied thus the need to incorporate screening for HbsAg and vaccination against HBV into the periodic/pre-employment health intervention programmes by employers to help in the protection of HCWs and control the spread of the virus.

  1. Do Contaminants Originating from State-of-the-Art Treated Wastewater Impact the Ecological Quality of Surface Waters?

    Science.gov (United States)

    Stalter, Daniel; Magdeburg, Axel; Quednow, Kristin; Botzat, Alexandra; Oehlmann, Jörg

    2013-01-01

    Since the 1980s, advances in wastewater treatment technology have led to considerably improved surface water quality in the urban areas of many high income countries. However, trace concentrations of organic wastewater-associated contaminants may still pose a key environmental hazard impairing the ecological quality of surface waters. To identify key impact factors, we analyzed the effects of a wide range of anthropogenic and environmental variables on the aquatic macroinvertebrate community. We assessed ecological water quality at 26 sampling sites in four urban German lowland river systems with a 0–100% load of state-of-the-art biological activated sludge treated wastewater. The chemical analysis suite comprised 12 organic contaminants (five phosphor organic flame retardants, two musk fragrances, bisphenol A, nonylphenol, octylphenol, diethyltoluamide, terbutryn), 16 polycyclic aromatic hydrocarbons, and 12 heavy metals. Non-metric multidimensional scaling identified organic contaminants that are mainly wastewater-associated (i.e., phosphor organic flame retardants, musk fragrances, and diethyltoluamide) as a major impact variable on macroinvertebrate species composition. The structural degradation of streams was also identified as a significant factor. Multiple linear regression models revealed a significant impact of organic contaminants on invertebrate populations, in particular on Ephemeroptera, Plecoptera, and Trichoptera species. Spearman rank correlation analyses confirmed wastewater-associated organic contaminants as the most significant variable negatively impacting the biodiversity of sensitive macroinvertebrate species. In addition to increased aquatic pollution with organic contaminants, a greater wastewater fraction was accompanied by a slight decrease in oxygen concentration and an increase in salinity. This study highlights the importance of reducing the wastewater-associated impact on surface waters. For aquatic ecosystems in urban areas this

  2. Do contaminants originating from state-of-the-art treated wastewater impact the ecological quality of surface waters?

    Directory of Open Access Journals (Sweden)

    Daniel Stalter

    Full Text Available Since the 1980s, advances in wastewater treatment technology have led to considerably improved surface water quality in the urban areas of many high income countries. However, trace concentrations of organic wastewater-associated contaminants may still pose a key environmental hazard impairing the ecological quality of surface waters. To identify key impact factors, we analyzed the effects of a wide range of anthropogenic and environmental variables on the aquatic macroinvertebrate community. We assessed ecological water quality at 26 sampling sites in four urban German lowland river systems with a 0-100% load of state-of-the-art biological activated sludge treated wastewater. The chemical analysis suite comprised 12 organic contaminants (five phosphor organic flame retardants, two musk fragrances, bisphenol A, nonylphenol, octylphenol, diethyltoluamide, terbutryn, 16 polycyclic aromatic hydrocarbons, and 12 heavy metals. Non-metric multidimensional scaling identified organic contaminants that are mainly wastewater-associated (i.e., phosphor organic flame retardants, musk fragrances, and diethyltoluamide as a major impact variable on macroinvertebrate species composition. The structural degradation of streams was also identified as a significant factor. Multiple linear regression models revealed a significant impact of organic contaminants on invertebrate populations, in particular on Ephemeroptera, Plecoptera, and Trichoptera species. Spearman rank correlation analyses confirmed wastewater-associated organic contaminants as the most significant variable negatively impacting the biodiversity of sensitive macroinvertebrate species. In addition to increased aquatic pollution with organic contaminants, a greater wastewater fraction was accompanied by a slight decrease in oxygen concentration and an increase in salinity. This study highlights the importance of reducing the wastewater-associated impact on surface waters. For aquatic ecosystems in

  3. Discovery of deep and shallow trap states from step structures of rutile TiO2 vicinal surfaces by second harmonic and sum frequency generation spectroscopy

    International Nuclear Information System (INIS)

    Takahashi, Hiroaki; Watanabe, Ryosuke; Miyauchi, Yoshihiro; Mizutani, Goro

    2011-01-01

    In this report, local electronic structures of steps and terraces on rutile TiO 2 single crystal faces were studied by second harmonic and sum frequency generation (SHG/SFG) spectroscopy. We attained selective measurement of the local electronic states of the step bunches formed on the vicinal (17 18 1) and (15 13 0) surfaces using a recently developed step-selective probing technique. The electronic structures of the flat (110)-(1x1) (the terrace face of the vicinal surfaces) and (011)-(2x1) surfaces were also discussed. The SHG/SFG spectra showed that step structures are mainly responsible for the formation of trap states, since significant resonances from the trap states were observed only from the vicinal surfaces. We detected deep hole trap (DHT) states and shallow electron trap (SET) states selectively from the step bunches on the vicinal surfaces. Detailed analysis of the SHG/SFG spectra showed that the DHT and SET states are more likely to be induced at the top edges of the step bunches than on their hillsides. Unlike the SET states, the DHT states were observed only at the step bunches parallel to [1 1 1][equivalent to the step bunches formed on the (17 18 1) surface]. Photocatalytic activity for each TiO 2 sample was also measured through methylene blue photodegradation reactions and was found to follow the sequence: (110) < (17 18 1) < (15 13 0) < (011), indicating that steps along [0 0 1] are more reactive than steps along [1 1 1]. This result implies that the presence of the DHT states observed from the step bunches parallel to [1 1 1] did not effectively contribute to the methylene blue photodegradation reactions.

  4. The inter-adsorbate interaction mediated by Shockley-type surface state electrons and dipole moment: Cs and Ba atoms absorbed on Ag (1 1 1) films

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Shuyuan [College of Physical Science and Technology, Sichuan University, Chengdu 610065 (China); Zhang, Hong, E-mail: hongzhang@scu.edu.cn [College of Physical Science and Technology, Sichuan University, Chengdu 610065 (China); Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064 (China); Miyamoto, Yoshiyuki [Nanosystem Research Institute, National Institute of Advanced Industrial Science and Technology (AIST), Central 2, 1-1-1 Umezono, Tsukuba 305-8568 (Japan)

    2014-01-15

    Through first-principles investigation, we display the formation process of Shockley-type surface states which emerges on silver thin films along Ag (1 1 1) orientation with increasing thicknesses from 6 to 21 layers. We look at the surface state band for various adatoms adsorbed on 6, 12, 18 layers strained Ag (1 1 1) films with different coverage, and discuss the long range interaction mediated by surface state electrons. We discovered that film's thickness can modulate the surface state mediated interaction drastically, but the dipole–dipole repulsive interaction is not affected by slab thickness. This factor had never been discussed in detail. Therefore, adatoms adsorbed on thin films have strong attractive interaction which leads to small adsorption separation and the tendency of island formation. For different coverage or different adsorbate types, both surface states and dipole moment are modulated. The three factors, film's thickness, adsorbate coverage and adatoms types, could help us learn more about the interactions between adatoms and exploit advanced ways to control surface geometry structures of self-assembly.

  5. The inter-adsorbate interaction mediated by Shockley-type surface state electrons and dipole moment: Cs and Ba atoms absorbed on Ag (1 1 1) films

    International Nuclear Information System (INIS)

    Zhang, Shuyuan; Zhang, Hong; Miyamoto, Yoshiyuki

    2014-01-01

    Through first-principles investigation, we display the formation process of Shockley-type surface states which emerges on silver thin films along Ag (1 1 1) orientation with increasing thicknesses from 6 to 21 layers. We look at the surface state band for various adatoms adsorbed on 6, 12, 18 layers strained Ag (1 1 1) films with different coverage, and discuss the long range interaction mediated by surface state electrons. We discovered that film's thickness can modulate the surface state mediated interaction drastically, but the dipole–dipole repulsive interaction is not affected by slab thickness. This factor had never been discussed in detail. Therefore, adatoms adsorbed on thin films have strong attractive interaction which leads to small adsorption separation and the tendency of island formation. For different coverage or different adsorbate types, both surface states and dipole moment are modulated. The three factors, film's thickness, adsorbate coverage and adatoms types, could help us learn more about the interactions between adatoms and exploit advanced ways to control surface geometry structures of self-assembly.

  6. Surface and interface states of Bi{sub 2}Se{sub 3} thin films investigated by optical second-harmonic generation and terahertz emission

    Energy Technology Data Exchange (ETDEWEB)

    Hamh, S. Y.; Park, S.-H.; Lee, J. S., E-mail: jsl@gist.ac.kr [Department of Physics and Photon Science, School of Physics and Chemistry, Gwangju Institute of Science and Technology, Gwangju 500-712 (Korea, Republic of); Jerng, S.-K.; Jeon, J. H.; Chun, S. H. [Department of Physics and Graphene Research Institute, Sejong University, Seoul 143-747 (Korea, Republic of); Jeon, J. H.; Kahng, S. J. [Department of Physics, Korea University, Seoul 136-701 (Korea, Republic of); Yu, K.; Choi, E. J. [Department of Physics, University or Seoul, Seoul 130-743 (Korea, Republic of); Kim, S.; Choi, S.-H. [Department of Applied Physics, College of Applied Science, Kyung Hee University, Yongin 446-701 (Korea, Republic of); Bansal, N. [Department of Electrical and Computer Engineering, Rutgers, The state University of New Jersey, Piscataway, New Jersey 08854 (United States); Oh, S. [Department of Physics and Astronomy, Rutgers, The state University of New Jersey, Piscataway, New Jersey 08854 (United States); Park, Joonbum; Kho, Byung-Woo; Kim, Jun Sung [Department of Physics, Pohang University of Science and Technology, Pohang 790-784 (Korea, Republic of)

    2016-02-01

    We investigate the surface and interface states of Bi{sub 2}Se{sub 3} thin films by using the second-harmonic generation technique. Distinct from the surface of bulk crystals, the film surface and interface show the isotropic azimuth dependence of second-harmonic intensity, which is attributed to the formation of randomly oriented domains on the in-plane. Based on the nonlinear susceptibility deduced from the model fitting, we determine that the surface band bending induced in a space charge region occurs more strongly at the film interface facing the Al{sub 2}O{sub 3} substrate or capping layer compared with the interface facing the air. We demonstrate that distinct behavior of the terahertz electric field emitted from the samples can provide further information about the surface electronic state of Bi{sub 2}Se{sub 3}.

  7. Bound state potential energy surface construction: ab initio zero-point energies and vibrationally averaged rotational constants.

    Science.gov (United States)

    Bettens, Ryan P A

    2003-01-15

    Collins' method of interpolating a potential energy surface (PES) from quantum chemical calculations for reactive systems (Jordan, M. J. T.; Thompson, K. C.; Collins, M. A. J. Chem. Phys. 1995, 102, 5647. Thompson, K. C.; Jordan, M. J. T.; Collins, M. A. J. Chem. Phys. 1998, 108, 8302. Bettens, R. P. A.; Collins, M. A. J. Chem. Phys. 1999, 111, 816) has been applied to a bound state problem. The interpolation method has been combined for the first time with quantum diffusion Monte Carlo calculations to obtain an accurate ground state zero-point energy, the vibrationally average rotational constants, and the vibrationally averaged internal coordinates. In particular, the system studied was fluoromethane using a composite method approximating the QCISD(T)/6-311++G(2df,2p) level of theory. The approach adopted in this work (a) is fully automated, (b) is fully ab initio, (c) includes all nine nuclear degrees of freedom, (d) requires no assumption of the functional form of the PES, (e) possesses the full symmetry of the system, (f) does not involve fitting any parameters of any kind, and (g) is generally applicable to any system amenable to quantum chemical calculations and Collins' interpolation method. The calculated zero-point energy agrees to within 0.2% of its current best estimate. A0 and B0 are within 0.9 and 0.3%, respectively, of experiment.

  8. Striped, honeycomb, and twisted moiré patterns in surface adsorption systems with highly degenerate commensurate ground states

    Science.gov (United States)

    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.

  9. Stress State at the Vertex of a Composite Wedge, One Side of Which Slides Without Friction Along a Rigid Surface

    Directory of Open Access Journals (Sweden)

    V. Pestrenin

    Full Text Available Abstract For studying the stress-strain state at singular points and their neighborhoods new concept is proposed. A singular point is identified with an elementary volume that has a characteristic size of the real body representative volume. This makes it possible to set and study the restrictions at that point. It is shown that problems with singular points turn out to be ambiguous, their formulation depends on the combination of the material and geometric parameters of the investigated body. Number of constraints in a singular point is redundant compared to the usual point of the boundary (it makes singular point unique, exclusive. This circumstance determines the non-classical problem formulation for bodies containing singular points. The formulation of a non-classical problem is given, the uniqueness of its solution is proved (under the condition of existence, the algorithm of the iterative-analytical decision method is described. Restrictions on the state parameters at the composite wedge vertex, one generatrix of which is in non-friction contact with a rigid surface are studied under temperature and strength loading. The proposed approach allows to identify critical combinations of material and geometric parameters that define the singularity of stress and strain fields close to singular representative volumes. The constraints on load components needed to solution existence are established. An example of a numerical analysis of the state parameters at the wedge vertex and its neighborhood is considered. Solutions built on the basis of a new concept, directly in a singular point, and its small neighborhood differ significantly from the solutions made with asymptotic methods. Beyond a small neighborhood of a singular point the solutions obtained on the basis of different concepts coincide.

  10. Occupied and unoccupied electronic states on vicinal Si(111) surfaces decorated with monoatomic gold chains; Besetzte und unbesetzte elektronische Zustaende vizinaler Si(111)-Oberflaechen mit atomaren Goldketten

    Energy Technology Data Exchange (ETDEWEB)

    Biedermann, Kerstin

    2012-07-12

    In this work, the occupied and unoccupied electronic states of vicinal Si(111)-Au surfaces were investigated. The research focused on amending the experimental electronic band structure by two-photon photoemission and laser-based photoemission and bringing it in line with theoretical band structure calculations. This work dealt with the Si(553)-Au, the Si(111)-(5x2)-Au and the Si(557)-Au surface. Angle-resolved UV-photoelectron spectroscopy gave access to the occupied part of the band structure and thus to the energetic position, the dispersion and the symmetry of the occupied states. Bichromatic two-photon photoemission, however, revealed information about the energetics and, in addition, about the dynamics of unoccupied states on a femtosecond timescale. Notably, the selective polarization of the laser pulses allowed for distinguishing and classifying many of the states with respect to their symmetry. All three surfaces exhibited both surface and bulk states in the occupied part of the band structure. They could be clearly identified and separated from surface contributions by means of tight-binding calculations of the bulk band structure of silicon and by comparison to each other. An added similarity of these surfaces are the one-dimensional Rashba-split gold states, which definitely show dispersion along the chains but not perpendicular to them. All surfaces exhibit states which can easily be assigned to the gold chains. Additional features, however, cannot be attributed clearly to the characteristics of the complex surface reconstruction in all cases. An assignment to surface states was only successfully accomplished for Si(553)-Au. The primary emphasis of this photoemission study was on the Si(553)-Au surface, which shows the smallest defect density in comparison to the other surfaces and hence exhibits the sharpest peaks in the experimental spectra. In accordance with ab-initio band structure calculations this surface also displays, in addition to one

  11. Physicochemical state of the nanotopographic surface of commercially pure titanium following anodization-hydrothermal treatment reveals significantly improved hydrophilicity and surface energy profiles.

    Science.gov (United States)

    Takebe, Jun; Ito, Shigeki; Miura, Shingo; Miyata, Kyohei; Ishibashi, Kanji

    2012-01-01

    A method of coating commercially pure titanium (cpTi) implants with a highly crystalline, thin hydroxyapatite (HA) layer using discharge anodic oxidation followed by hydrothermal treatment (Spark discharged Anodic oxidation treatment ; SA-treated cpTi) has been reported for use in clinical dentistry. We hypothesized that a thin HA layer with high crystallinity and nanostructured anodic titanium oxide film on such SA-treated cpTi implant surfaces might be a crucial function of their surface-specific potential energy. To test this, we analyzed anodic oxide (AO) cpTi and SA-treated cpTi disks by SEM and AFM. Contact angles and surface free energy of each disk surface was measured using FAMAS software. High-magnification SEM and AFM revealed the nanotopographic structure of the anodic titanium oxide film on SA-treated cpTi; however, this was not observed on the AO cpTi surface. The contact angle and surface free energy measurements were also significantly different between AO cpTi and SA-treated cpTi surfaces (Tukey's, P<0.05). These data indicated that the change of physicochemical properties of an anodic titanium oxide film with HA crystals on an SA-treated cpTi surface may play a key role in the phenomenon of osteoconduction during the process of osseointegration. Copyright © 2011 Elsevier B.V. All rights reserved.

  12. A summary of fish and wildlife information needs to surface mine coal in the United States. Part 1. Fish and wildlife information needs in the federal surface mining permanent regulations. Final report

    Energy Technology Data Exchange (ETDEWEB)

    1980-01-01

    This is part 1 of three part series to assist government agencies and private citizens in determining fish and wildlife information needs for new coal mining operations pursuant to the Surface Mining Control and Reclamation Act of 1977. Part 2 will document status of individual state surface mining regulations as of January 1980 in those states having significant strippable reserves and/or active strip mining operations. It will also provide documentation of fish and wildlife information needs identified in the state regulations of compliance to PL 95-87. Part 3 will be a discussion of the information needed to develop the Fish and Wildlife Plan identified in the Permanent Regulations. The objective of this three part series is to include consideration of fish and wildlife resources in the surface mining process.

  13. Investigation of the surface chemical and electronic states of pyridine-capped CdSe nanocrystal films after plasma treatments using H2, O2, and Ar gases

    International Nuclear Information System (INIS)

    Wang, Seok-Joo; Kim, Hyuncheol; Park, Hyung-Ho; Lee, Young-Su; Jeon, Hyeongtag; Chang, Ho Jung

    2010-01-01

    Surface chemical bonding and the electronic states of pyridine-capped CdSe nanocrystal films were evaluated using x-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy before and after plasma treatments using H 2 , O 2 , and Ar gases from the viewpoint of studying the effects of surface capping organic molecules and surface oxidation. Surface capping organic molecules could be removed during the plasma treatment due to the chemical reactivity, ion energy transfer, and vacuum UV (VUV) of the plasma gases. With O 2 plasma treatment, surface capping organic molecules were effectively removed but substantial oxidation of CdSe occurred during the plasma treatment. The valence band maximum energy (E VBM ) of CdSe nanocrystal films mainly depends on the apparent size of pyridine-capped CdSe nanocrystals, which controls the interparticle distance, and also on the oxidation of CdSe nanocrystals. Cd-rich surface in O 2 and H 2 plasma treatments partially would compensate for the decrease in E VBM . After Ar plasma treatment, the smallest value of E VBM resulted from high VUV photon flux, short wavelength, and ion energy transfer. The surface bonding states of CdSe had a strong influence on the electronic structure with the efficient strip of capping molecules as well as different surface oxidations and surface capping molecule contents.

  14. Expansion Hamiltonian model for a diatomic molecule adsorbed on a surface: Vibrational states of the CO/Cu(100) system including surface vibrations

    Energy Technology Data Exchange (ETDEWEB)

    Meng, Qingyong, E-mail: mengqingyong@dicp.ac.cn [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Zhongshan Road 457, 116023 Dalian (China); Meyer, Hans-Dieter, E-mail: hans-dieter.meyer@pci.uni-heidelberg.de [Theoretische Chemie, Physikalisch-Chemisches Institut, Ruprecht-Karls Universität Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg (Germany)

    2015-10-28

    Molecular-surface studies are often done by assuming a corrugated, static (i.e., rigid) surface. To be able to investigate the effects that vibrations of surface atoms may have on spectra and cross sections, an expansion Hamiltonian model is proposed on the basis of the recently reported [R. Marquardt et al., J. Chem. Phys. 132, 074108 (2010)] SAP potential energy surface (PES), which was built for the CO/Cu(100) system with a rigid surface. In contrast to other molecule-surface coupling models, such as the modified surface oscillator model, the coupling between the adsorbed molecule and the surface atoms is already included in the present expansion SAP-PES model, in which a Taylor expansion around the equilibrium positions of the surface atoms is performed. To test the quality of the Taylor expansion, a direct model, that is avoiding the expansion, is also studied. The latter, however, requests that there is only one movable surface atom included. On the basis of the present expansion and direct models, the effects of a moving top copper atom (the one to which CO is bound) on the energy levels of a bound CO/Cu(100) system are studied. For this purpose, the multiconfiguration time-dependent Hartree calculations are carried out to obtain the vibrational fundamentals and overtones of the CO/Cu(100) system including a movable top copper atom. In order to interpret the results, a simple model consisting of two coupled harmonic oscillators is introduced. From these calculations, the vibrational levels of the CO/Cu(100) system as function of the frequency of the top copper atom are discussed.

  15. The characteristics of MBE-grown In{sub x}Al{sub 1−x}N/GaN surface states

    Energy Technology Data Exchange (ETDEWEB)

    Jiao, Wenyuan; Kong, Wei; Li, Jincheng; Kim, Tong-Ho; Brown, April S. [Department of Electrical and Computer Engineering, Duke University, Durham, North Carolina 27708 (United States); Collar, Kristen [Department of Physics, Duke University, Durham, North Carolina 27708 (United States); Losurdo, Maria [CNR-NANOTEC, Istituto di Nanotecnologia, via Orabona, 4-70126 Bari (Italy)

    2016-08-22

    The density and energy distribution of In{sub x}Al{sub 1−x}N/GaN surface donor states are studied for In{sub x}Al{sub 1−x}N structures with varying indium compositions. The results support a surface states model with a constant energy distribution of 2.17–2.63 eV below the conduction band minimum and a concentration of 4.64–8.27 × 10{sup 13} cm{sup −2} eV{sup −1}. It is shown that the properties of the surface states are affected by the surface indium composition x{sub s}, as opposed to the bulk composition, x{sub b} (In{sub x}Al{sub 1−x}N). Higher surface indium composition x{sub s} increases the density of surface states and narrows their energy distribution.

  16. Physical State and Distribution of Materials at the Surface of Pluto from New Horizons LEISA Imaging Spectrometer

    Science.gov (United States)

    Schmitt, B.; Philippe, S.; Grundy, W. M.; Reuter, D. C.; Cote, R.; Quirico, E.; Protopappa, S.; Young, L. A.; Binzel, R. P.; Cook, J. C.; hide

    2016-01-01

    From Earth based observations Pluto is known to be the host of N2, CH4 and CO ices and also a dark red material. Very limited spatial distribution information is available from rotational visible and near-infrared spectral curves obtained from hemispheric measurements. In July 2015 the New Horizons spacecraft reached Pluto and its satellite system and recorded a large set of data. The LEISA spectro-imager of the RALPH instruments are dedicated to the study of the composition and physical state of the materials composing the surface. In this paper we report a study of the distribution and physical state of the ices and non-ice materials on Pluto's illuminated surface and their mode and degree of mixing. Principal Component analysis as well as various specific spectral indicators and correlation plots are used on the first set of 2 high resolution spectro-images from the LEISA instrument covering the whole illuminated face of Pluto at the time of the New Horizons encounter. Qualitative distribution maps have been obtained for the 4 main condensed molecules, N2, CH4, CO, H2O as well as for the visible-dark red material. Based on specific spectral indicators, using either the strength or the position of absorption bands, these 4 molecules are found to indicate the presence of 3 different types of ices: N2-rich:CH4:CO ices, CH4-rich(:CO:N2?) ices and H2O ice. The mixing lines between these ices and with the dark red material are studied using scatter plots between the various spectral indicators. CH4 is mixed at the molecular level with N2, most probably also with CO, thus forming a ternary molecular mixture that follows its phase diagram with low solubility limits. The occurrence of a N2-rich - CH4-rich ices mixing line associated with a progressive decrease of the CO/CH4 ratio tells us that a fractionation sublimation sequence transforms one type of ice to the other forming either a N2-rich - CH4-rich binary mixture at the surface or an upper CH4-rich ice crust that

  17. Physical state and distribution of materials at the surface of Pluto from New Horizons LEISA imaging spectrometer

    Science.gov (United States)

    Schmitt, B.; Philippe, S.; Grundy, W. M.; Reuter, D. C.; Côte, R.; Quirico, E.; Protopapa, S.; Young, L. A.; Binzel, R. P.; Cook, J. C.; Cruikshank, D. P.; Dalle Ore, C. M.; Earle, A. M.; Ennico, K.; Howett, C. J. A.; Jennings, D. E.; Linscott, I. R.; Lunsford, A. W.; Olkin, C. B.; Parker, A. H.; Parker, J. Wm.; Singer, K. N.; Spencer, J. R.; Stansberry, J. A.; Stern, S. A.; Tsang, C. C. C.; Verbiscer, A. J.; Weaver, H. A.; New Horizons Science Team

    2017-05-01

    From Earth based observations Pluto is known to be the host of N2, CH4 and CO ices and also a dark red material. Very limited spatial distribution information is available from rotational visible and near-infrared spectral curves obtained from hemispheric measurements. In July 2015 the New Horizons spacecraft reached Pluto and its satellite system and recorded a large set of data. The LEISA spectro-imager of the RALPH instruments are dedicated to the study of the composition and physical state of the materials composing the surface. In this paper we report a study of the distribution and physical state of the ices and non-ice materials on Pluto's illuminated surface and their mode and degree of mixing. Principal Component analysis as well as various specific spectral indicators and correlation plots are used on the first set of 2 high resolution spectro-images from the LEISA instrument covering the whole illuminated face of Pluto at the time of the New Horizons encounter. Qualitative distribution maps have been obtained for the 4 main condensed molecules, N2, CH4, CO, H2O as well as for the visible-dark red material. Based on specific spectral indicators, using either the strength or the position of absorption bands, these 4 molecules are found to indicate the presence of 3 different types of ices: N2-rich:CH4:CO ices, CH4-rich(:CO:N2?) ices and H2O ice. The mixing lines between these ices and with the dark red material are studied using scatter plots between the various spectral indicators. CH4 is mixed at the molecular level with N2, most probably also with CO, thus forming a ternary molecular mixture that follows its phase diagram with low solubility limits. The occurrence of a N2-rich - CH4-rich ices mixing line associated with a progressive decrease of the CO/CH4 ratio tells us that a fractionation sublimation sequence transforms one type of ice to the other forming either a N2-rich - CH4-rich binary mixture at the surface or an upper CH4-rich ice crust that

  18. Effect of Built-Up Edge Formation during Stable State of Wear in AISI 304 Stainless Steel on Machining Performance and Surface Integrity of the Machined Part.

    Science.gov (United States)

    Ahmed, Yassmin Seid; Fox-Rabinovich, German; Paiva, Jose Mario; Wagg, Terry; Veldhuis, Stephen Clarence

    2017-10-25

    During machining of stainless steels at low cutting -speeds, workpiece material tends to adhere to the cutting tool at the tool-chip interface, forming built-up edge (BUE). BUE has a great importance in machining processes; it can significantly modify the phenomenon in the cutting zone, directly affecting the workpiece surface integrity, cutting tool forces, and chip formation. The American Iron and Steel Institute (AISI) 304 stainless steel has a high tendency to form an unstable BUE, leading to deterioration of the surface quality. Therefore, it is necessary to understand the nature of the surface integrity induced during machining operations. Although many reports have been published on the effect of tool wear during machining of AISI 304 stainless steel on surface integrity, studies on the influence of the BUE phenomenon in the stable state of wear have not been investigated so far. The main goal of the present work is to investigate the close link between the BUE formation, surface integrity and cutting forces in the stable sate of wear for uncoated cutting tool during the cutting tests of AISI 304 stainless steel. The cutting parameters were chosen to induce BUE formation during machining. X-ray diffraction (XRD) method was used for measuring superficial residual stresses of the machined surface through the stable state of wear in the cutting and feed directions. In addition, surface roughness of the machined surface was investigated using the Alicona microscope and Scanning Electron Microscopy (SEM) was used to reveal the surface distortions created during the cutting process, combined with chip undersurface analyses. The investigated BUE formation during the stable state of wear showed that the BUE can cause a significant improvement in the surface integrity and cutting forces. Moreover, it can be used to compensate for tool wear through changing the tool geometry, leading to the protection of the cutting tool from wear.

  19. Quantum Hall effect on top and bottom surface states of topological insulator (Bi1-xSbx)2Te3 films.

    Science.gov (United States)

    Yoshimi, R; Tsukazaki, A; Kozuka, Y; Falson, J; Takahashi, K S; Checkelsky, J G; Nagaosa, N; Kawasaki, M; Tokura, Y

    2015-04-14

    The three-dimensional topological insulator is a novel state of matter characterized by two-dimensional metallic Dirac states on its surface. To verify the topological nature of the surface states, Bi-based chalcogenides such as Bi2Se3, Bi2Te3, Sb2Te3 and their combined/mixed compounds have been intensively studied. Here, we report the realization of the quantum Hall effect on the surface Dirac states in (Bi1-xSbx)2Te3 films. With electrostatic gate-tuning of the Fermi level in the bulk band gap under magnetic fields, the quantum Hall states with filling factor ±1 are resolved. Furthermore, the appearance of a quantum Hall plateau at filling factor zero reflects a pseudo-spin Hall insulator state when the Fermi level is tuned in between the energy levels of the non-degenerate top and bottom surface Dirac points. The observation of the quantum Hall effect in three-dimensional topological insulator films may pave a way toward topological insulator-based electronics.

  20. A composite study of the MJO influence on the surface air temperature and precipitation over the Continental United States

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Shuntai [NOAA/NWS/NCEP, Camp Springs, MD (United States); Wyle, Inc., McLean, VA (United States); L' Heureux, Michelle; Weaver, Scott; Kumar, Arun [NOAA/NWS/NCEP, Camp Springs, MD (United States)

    2012-04-15

    The influence of the MJO on the continental United States (CONUS) surface air temperature (SAT) and precipitation is examined based on 30 years of daily data from 1979-2008. Composites are constructed for each of the eight phases of the Wheeler-Hendon MJO index over 12 overlapping three-month seasons. To ensure that the MJO signal is distinguished from other patterns of climate variability, several steps are taken: (a) only days classified as ''MJO events'' are used in the composites, (b) statistical significance of associated composites is assessed using a Monte Carlo procedure, and (c) intraseasonal frequencies are matched to the unfiltered data. Composites of other fields are also shown in order to examine how the SAT and precipitation anomalies are associated with large-scale circulations providing a link between the tropics and extratropics. The strongest and most significant MJO effects on SAT are found during the northern winter seasons. When enhanced convection is located over the equatorial Indian Ocean, below-average SAT tends to occur in New England and the Great Lakes region. As enhanced tropical convection shifts over the Maritime continent, above-average SAT appears in the eastern states of the US from Maine to Florida. The MJO influence on precipitation is also significant during northern winter seasons. When enhanced convection is located over the Maritime continent, more precipitation is observed in the central plains of the US. Enhanced precipitation also occurs over the west coast of the US when convective activity is stronger over the Indian Ocean. During the northern summer and fall, the MJO impact on precipitation is mainly significant at lower latitudes, over Mexico and southeastern US. (orig.)

  1. A regional assessment of chemicals of concern in surface waters of four Midwestern United States national parks

    Science.gov (United States)

    Elliott, Sarah M.; VanderMeulen, David

    2017-01-01

    Anthropogenic chemicals and their potential for adverse biological effects raise concern for aquatic ecosystem health in protected areas. During 2013–15, surface waters of four Midwestern United States national parks were sampled and analyzed for wastewater indicators, pharmaceuticals, personal care products, and pesticides. More chemicals and higher concentrations were detected at the two parks with greater urban influences (Mississippi National River and Recreation Area and Indiana Dunes National Lakeshore) than at the two more remote parks (Apostle Islands National Lakeshore and Isle Royale National Park). Atrazine (10–15 ng/L) and N,N-diethyl-meta-toluamide (16–120 ng/L) were the only chemicals detected in inland lakes of a remote island national park (Isle Royale National Park). Bisphenol A and organophosphate flame retardants were commonly detected at the other sampled parks. Gabapentin and simazine had the highest observed concentrations (> 1000 ng/L) in three and two samples, respectively. At the two parks with urban influences, metolachlor and simazine concentrations were similar to those reported for other major urban rivers in the United States. Environmental concentrations of detected chemicals were often orders of magnitude less than standards or reference values with three exceptions: (1) hydrochlorothiazide exceeded a human health-based screening value in seven samples, (2) estrone exceeded a predicted critical environmental concentration for fish pharmacological effects in one sample, and (3) simazine was approaching the 4000 ng/L Maximum Contaminant Level in one sample even though this concentration is not expected to reflect peak pesticide use. Although few environmental concentrations were approaching or exceeded standards or reference values, concentrations were often in ranges reported to elicit effects in aquatic biota. Data from this study will assist in establishing a baseline for chemicals of concern in Midwestern national parks and

  2. Accumulation of policyclic aromatic hydrocarbons (PAHs) in surface litter and soils in four forests in the United States

    Science.gov (United States)

    Obrist, D.; Perlinger, J. A.; Zielinska, B.

    2014-12-01

    Polycyclic aromatic hydrocarbons (PAHs) are toxic environmental pollutants originating from the incomplete combustion of organic material, both from natural or anthropogenic sources. Once emitted, they can be transported across thousands of kilometers impacting remote environments. Here, we characterize the distribution of 23 PAHs and 9 oxygenated PAHs (Σ32PAH) in litter and soils in four remote forests in the United States. Concentrations of Σ32PAH in fresh surface litter (Oi layers) showed very low levels in three of the four forests (mixed coniferous forest in Maine, deciduous blue oak forest in California, and a coniferous forest in Washington State), with PAHs levels much lower than those reported in previous studies from Europe. The analysis showed that PAHs represented a mix of regional background sources. Highest PAH levels were observed in a coniferous forest floor in Florida, attributable to frequent prescribed burning of understory vegetation at this site, and supported by high contributions of retene (>7%; compared to atmospheric deposition. Within mineral soils, Σ32PAH:OC ratios increased with depth (Ah horizons: 750±198 ng g-1; B horizons: 1,202±97 ng g-1), indicating that vertical transfer in mineral soils leads to significant accumulation of PAH in subsoils. ΣPAH:OC increases observed in deeper soil layers may be attributed to slower mineralization rates of PAHs compared to OC, plus vertical transport as indicated by preferential enrichment of PAHs with low Kow (i.e., more water-soluble PAHs). Finally, percentage of potentially biologically produced PAH (Σ Naph+Phen+Pery) were low and consistent across the litter/soil horizons, suggesting that biological production is minor or absent at our sites.

  3. The mechanism and universal scaling law of the contact line friction for the Cassie-state droplets on nanostructured ultrahydrophobic surfaces.

    Science.gov (United States)

    Zhao, Lei; Cheng, Jiangtao

    2018-04-05

    Besides the Wenzel state, liquid droplets on micro/nanostructured surfaces can stay in the Cassie state and consequently exhibit intriguing characteristics such as a large contact angle, small contact angle hysteresis and exceptional mobility. Here we report molecular dynamics (MD) simulations of the wetting dynamics of Cassie-state water droplets on nanostructured ultrahydrophobic surfaces with an emphasis on the genesis of the contact line friction (CLF). From an ab initio perspective, CLF can be ascribed to the collective effect of solid-liquid retarding and viscous damping. Solid-liquid retarding is related to the work of adhesion, whereas viscous damping arises from the viscous force exerted on the liquid molecules within the three-phase (liquid/vapor/solid) contact zone. In this work, a universal scaling law is derived to generalize the CLF on nanostructured ultrahydrophobic surfaces. With the decreasing fraction of solid-liquid contact (i.e., the solid fraction), CLF for a Cassie-state droplet gets enhanced due to the fact that viscous damping is counter-intuitively intensified while solid-liquid retarding remains unchanged. Nevertheless, the overall friction between a Cassie-state droplet and the structured surface is indeed reduced since the air cushion formed in the interstices of the surface roughness underneath the Cassie-state droplet applies negligible resistance to the contact line. Our results have revealed the genesis of CLF from an ab initio perspective, demonstrated the effects of surface structures on a moving contact line and justified the critical role of CLF in the analysis of wetting-related situations.

  4. Downscaling with a nested regional climate model in near-surface fields over the contiguous United States: WRF dynamical downscaling

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Jiali [Environmental Science Division, Argonne National Laboratory, Argonne Illinois USA; Kotamarthi, Veerabhadra R. [Environmental Science Division, Argonne National Laboratory, Argonne Illinois USA

    2014-07-27

    The Weather Research and Forecasting (WRF) model is used for dynamic downscaling of 2.5 degree National Centers for Environmental Prediction-U.S. Department of Energy Reanalysis II (NCEP-R2) data for 1980-2010 at 12 km resolution over most of North America. The model's performance for surface air temperature and precipitation is evaluated by comparison with high-resolution observational data sets. The model's ability to add value is investigated by comparison with NCEP-R2 data and a 50 km regional climate simulation. The causes for major model bias are studied through additional sensitivity experiments with various model setup/integration approaches and physics representations. The WRF captures the main features of the spatial patterns and annual cycles of air temperature and precipitation over most of the contiguous United States. However, simulated air temperatures over the south central region and precipitation over the Great Plains and the Southwest have significant biases. Allowing longer spin-up time, reducing the nudging strength, or replacing the WRF Single-Moment 6-class microphysics with Morrison microphysics reduces the bias over some subregions. However, replacing the Grell-Devenyi cumulus parameterization with Kain-Fritsch shows no improvement. The 12 km simulation does add value above the NCEP-R2 data and the 50 km simulation over mountainous and coastal zones.

  5. Transport processes associated with the initial elevated concentrations of Chernobyl radioactivity in surface air in the United States

    International Nuclear Information System (INIS)

    Larsen, R.J.; Haagenson, P.L.; Reiss, N.M.

    1989-01-01

    Elevated concentrations of radioactivity from the Chernobyl accident were encountered in the surface air over the United States along the east coast and in the north-west on 9 and 10 May 1986. The nearly simultaneous arrival of radioactive debris at widely separated locations resulted from different paths being taken by the debris released at different times during the course of the accident. Debris released during the explosion at the Chernobyl reactor was transported across the Arctic, within the lower troposphere, and zonally across Asia and the North Pacific Ocean, within the mid-troposphere. This debris descended into the planetary boundary layer along the east coast of the US. The descent was associated with a quasi-stationary cyclone located over the western North Atlantic Ocean. Debris that had a different composition of radioactivity was released from the damaged reactor during the week immediately following the initial explosion. This debris was then transported zonally across Asia and the North Pacific Ocean within the planetary boundary layer and lower troposphere and was swept into the north-western US. (author)

  6. How Parallel Are Excited State Potential Energy Surfaces from Time-Independent and Time-Dependent DFT? A BODIPY Dye Case Study.

    Science.gov (United States)

    Komoto, Keenan T; Kowalczyk, Tim

    2016-10-06

    To support the development and characterization of chromophores with targeted photophysical properties, excited-state electronic structure calculations should rapidly and accurately predict how derivatization of a chromophore will affect its excitation and emission energies. This paper examines whether a time-independent excited-state density functional theory (DFT) approach meets this need through a case study of BODIPY chromophore photophysics. A restricted open-shell Kohn-Sham (ROKS) treatment of the S 1 excited state of BODIPY dyes is contrasted with linear-response time-dependent density functional theory (TDDFT). Vertical excitation energies predicted by the two approaches are remarkably different due to overestimation by TDDFT and underestimation by ROKS relative to experiment. Overall, ROKS with a standard hybrid functional provides the more accurate description of the S 1 excited state of BODIPY dyes, but excitation energies computed by the two methods are strongly correlated. The two approaches also make similar predictions of shifts in the excitation energy upon functionalization of the chromophore. TDDFT and ROKS models of the S 1 potential energy surface are then examined in detail for a representative BODIPY dye through molecular dynamics sampling on both model surfaces. We identify the most significant differences in the sampled surfaces and analyze these differences along selected normal modes. Differences between ROKS and TDDFT descriptions of the S 1 potential energy surface for this BODIPY derivative highlight the continuing need for validation of widely used approximations in excited state DFT through experimental benchmarking and comparison to ab initio reference data.

  7. Search for 2νββ excited state transitions and HPGe characterization for surface events in GERDA phase II

    Energy Technology Data Exchange (ETDEWEB)

    Lehnert, Bjoern

    2016-03-01

    } transitions, respectively. These limits are more than two orders of magnitude larger than previous ones and could exclude many old matrix element calculations. In addition to the excited state searches, important measurements and improvements for GERDA Phase II upgrades are performed within this dissertation. 30 new BEGe detectors are characterized for their surface and active volume properties which is an essential ingredient for all future physics analyses in GERDA. These precision measurements reduce the systematic uncertainty of the active volume to a subdominant level. In extension to this, a new model for simulating pulse shapes of n{sup +} electrode surface events is developed. With this model it is demonstrated that the dominant background of {sup 42}K on the detector surfaces can be suppressed by a factor of 145 with an A/E pulse shape cut in Phase II. A further suppression of background is obtained by a liquid argon scintillation light veto. With newly developed Monte Carlo simulations, including the optical scintillation photons, it is demonstrated that {sup 208}Tl in the detectors holders can be suppressed by a factor of 134. {sup 42}K homogeneously distributed in the LAr can be suppressed with this veto in combination with pulse shape cuts by a factor of 170 for BEGe detectors. The characterization measurements and the developed simulation tools presented within this dissertation will help to enhance the sensitivity for all 0/2νββ decay modes and will allow to construct an improved background model in GERDA Phase II.

  8. Kalman filters for assimilating near-surface observations in the Richards equation - Part 2: A dual filter approach for simultaneous retrieval of states and parameters

    Science.gov (United States)

    Medina, H.; Romano, N.; Chirico, G. B.

    2012-12-01

    We present a dual Kalman Filter (KF) approach for retrieving states and parameters controlling soil water dynamics in a homogenous soil column by using near-surface state observations. The dual Kalman filter couples a standard KF algorithm for retrieving the states and an unscented KF algorithm for retrieving the parameters. We examine the performance of the dual Kalman Filter applied to two alternative state-space formulations of the Richards equation, respectively differentiated by the type of variable employed for representing the states: either the soil water content (θ) or the soil matric pressure head (h). We use a synthetic time-series series of true states and noise corrupted observations and a synthetic time-series of meteorological forcing. The performance analyses account for the effect of the input parameters, the observation depth and the assimilation frequency as well as the relationship between the retrieved states and the assimilated variables. We show that the identifiability of the parameters is strongly conditioned by several factors, such as the initial guess of the unknown parameters, the wet or dry range of the retrieved states, the boundary conditions, as well as the form (h-based or θ-based) of the state-space formulation. State identifiability is instead efficient even with a relatively coarse time-resolution of the assimilated observation. The accuracy of the retrieved states exhibits limited sensitivity to the observation depth and the assimilation frequency.

  9. Analytical Solutions for the Surface States of Bi1-xSbx (0 ≤ x ≲ 0.1)

    Science.gov (United States)

    Fuseya, Yuki; Fukuyama, Hidetoshi

    2018-04-01

    Analytical solutions for the surface state (SS) of an extended Wolff Hamiltonian, which is a common Hamiltonian for strongly spin-orbit coupled systems, are obtained both for semi-infinite and finite-thickness boundary conditions. For the semi-infinite system, there are two types of SS solutions: (I-a) linearly crossing SSs in the direct bulk band gap, and (I-b) SSs with linear dispersions entering the bulk conduction or valence bands away from the band edge. For the finite-thickness system, a gap opens in the SS of solution I-a. Numerical solutions for the SS are also obtained based on the tight-binding model of Liu and Allen [https://doi.org/10.1103/PhysRevB.52.1566" xlink:type="simple">Phys. Rev. B 52, 1566 (1995)] for Bi1-xSbx (0 ≤ x ≤ 0.1). A perfect correspondence between the analytic and numerical solutions is obtained around the \\bar{M} point including their thickness dependence. This is the first time that the character of the SS numerically obtained is identified with the help of analytical solutions. The size of the gap for I-a SS can be larger than that of bulk band gap even for a "thick" films ( ≲ 200 bilayers ≃ 80 nm) of pure bismuth. Consequently, in such a film of Bi1-xSbx, there is no apparent change in the SSs through the band inversion at x ≃ 0.04, even though the nature of the SS is changed from solution I-a to I-b. Based on our theoretical results, the experimental results on the SS of Bi1-xSbx (0 ≤ x ≲ 0.1) are discussed.

  10. Methods for evaluating potential sources of chloride in surface waters and groundwaters of the conterminous United States

    Science.gov (United States)

    Granato, Gregory E.; DeSimone, Leslie A.; Barbaro, Jeffrey R.; Jeznach, Lillian C.

    2015-09-04

    Chloride exists as a major ion in most natural waters, but many anthropogenic sources are increasing concentrations of chloride in many receiving waters. Although natural concentrations in continental waters can be as high as 200,000 milligrams per liter, chloride concentrations that are suitable for freshwater ecology, human consumption, and agricultural and industrial water uses commonly are on the order of 10 to 1,000 milligrams per liter. “Road salt” frequently is identified as the sole source of anthropogenic chloride, but only about 30 percent of the salt consumed and released to the environment is used for deicing. Furthermore, several studies in Southern States where the use of deicing salt is minimal also show anthropogenic chloride in rising concentrations and in strong correlation to imperviousness and road density. This is because imperviousness and road density also are strongly correlated to population density. The term “road salt” is a misnomer because deicers applied to parking lots, sidewalks, and driveways can be a substantial source of chloride in some catchments because these land covers are comparable to roadways as a percentage of the total impervious area and commonly receive higher salt application rates than some roadways. Other sources of anthropogenic chloride include wastewater, dust control on unpaved roads, fertilizer, animal waste, irrigation, aquaculture, energy production wastes, and landfill leachates. The assumption that rising chloride concentrations in surface water or groundwater is indicative of contamination by deicing chemicals rather than one or more other potential sources may preclude the identification of toxic, carcinogenic, mutagenic, or endocrine-disrupting contaminants that are associated with many sources of elevated chloride concentrations. Once the sources of anthropogenic chloride in an area of interest have been identified and measured, water and solute budgets can be estimated to guide decisionmakers to

  11. Design and operational considerations of United States commercial near-surface low-level radioactive waste disposal facilities

    International Nuclear Information System (INIS)

    Birk, S.M.

    1997-10-01

    In accordance with the Low-Level Radioactive Waste Policy Amendments Act of 1985, states are responsible for providing for disposal of commercially generated low-level radioactive waste (LLW) within their borders. LLW in the US is defined as all radioactive waste that is not classified as spent nuclear fuel, high-level radioactive waste, transuranic waste, or by-product material resulting from the extraction of uranium from ore. Commercial waste includes LLW generated by hospitals, universities, industry, pharmaceutical companies, and power utilities. LLW generated by the country''s defense operations is the responsibility of the Federal government and its agency, the Department of Energy. The commercial LLRW disposal sites discussed in this report are located near: Sheffield, Illinois (closed); Maxey Flats, Kentucky (closed); Beatty, Nevada (closed); West Valley, New York (closed); Barnwell, South Carolina (operating); Richland, Washington (operating); Ward Valley, California, (proposed); Sierra Blanca, Texas (proposed); Wake County, North Carolina (proposed); and Boyd County, Nebraska (proposed). While some comparisons between the sites described in this report are appropriate, this must be done with caution. In addition to differences in climate and geology between sites, LLW facilities in the past were not designed and operated to today''s standards. This report summarizes each site''s design and operational considerations for near-surface disposal of low-level radioactive waste. The report includes: a description of waste characteristics; design and operational features; post closure measures and plans; cost and duration of site characterization, construction, and operation; recent related R and D activities for LLW treatment and disposal; and the status of the LLW system in the US

  12. Multi-state nonadiabatic deactivation mechanism of coumarin revealed by ab initio on-the-fly trajectory surface hopping dynamic simulation.

    Science.gov (United States)

    Gan, Yanzhen; Yue, Ling; Guo, Xugeng; Zhu, Chaoyuan; Cao, Zexing

    2017-05-17

    An on-the-fly trajectory surface hopping dynamic simulation has been performed for revealing the multi-state nonadiabatic deactivation mechanism of coumarin. The mechanism involves three adiabatic excited states, S 3 (ππ*L b ), S 2 (nπ*, ππ*L a ) and S 1 (ππ*L a , nπ*), and the ground state S 0 at the four state-averaged complete active space self-consistent field, SA4-CASSCF(12,10)/6-31G* level of theory. Upon photoexcitation to the third excited state S 3 (ππ*L b ) in the Franck-Condon region, 80% sampling trajectories decay to the dark S 2 (nπ*) state within an average of 5 fs via the conical intersection S 3 (ππ*L b )/S 2 (nπ*), while 20% decay to the S 2 (ππ*L a ) state within an average of 11 fs via the conical intersection S 3 (ππ*L b )/S 2 (ππ*L a ). Then, sampling trajectories via S 2 (nπ*)/S 1 (ππ*L a ) continue with ultrafast decay processes to give a final distribution of quantum yields as follows: 42% stay on the dark S 1 (nπ*) state, 43.3% go back to the ground S 0 state, 12% undergo a ring-opening reaction to the Z-form S 0 (Z) state, and 2.7% go to the E-form S 0 (E) state. The lifetimes of the excited states are estimated as follows: the S 3 state is about 12 fs on average, the S 2 state is about 80 fs, and the S 1 state has a fast component of about 160 fs and a slow component of 15 ps. The simulated ultrafast radiationless deactivation pathways of photoexcited coumarin immediately interpret the experimentally observed weak fluorescence emission.

  13. Surface-site-selective study of valence electronic states of a clean Si(111)-7x7 surface using Si L23VV Auger electron and Si 2p photoelectron coincidence measurements

    International Nuclear Information System (INIS)

    Kakiuchi, Takuhiro; Tahara, Masashi; Nagaoka, Shin-ichi; Hashimoto, Shogo; Fujita, Narihiko; Tanaka, Masatoshi; Mase, Kazuhiko

    2011-01-01

    Valence electronic states of a clean Si(111)-7x7 surface are investigated in a surface-site-selective way using high-resolution coincidence measurements of Si pVV Auger electrons and Si 2p photoelectrons. The Si L 23 VV Auger electron spectra measured in coincidence with energy-selected Si 2p photoelectrons show that the valence band at the highest density of states in the vicinity of the rest atoms is shifted by ∼0.95 eV toward the Fermi level (E F ) relative to that in the vicinity of the pedestal atoms (atoms directly bonded to the adatoms). The valence-band maximum in the vicinity of the rest atoms, on the other hand, is shown to be shifted by ∼0.53 eV toward E F relative to that in the vicinity of the pedestal atoms. The Si 2p photoelectron spectra of Si(111)-7x7 measured in coincidence with energy-selected Si L 23 VV Auger electrons identify the topmost surface components, and suggest that the dimers and the rest atoms are negatively charged while the pedestal atoms are positively charged. Furthermore, the Si 2p-Si L 23 VV photoelectron Auger coincidence spectroscopy directly verifies that the adatom Si 2p component (usually denoted by C 3 ) is correlated with the surface state just below E F (usually denoted by S 1 ), as has been observed in previous angle-resolved photoelectron spectroscopy studies.

  14. Theory of tamm surface states on the boundary between Hgsub(1-x)Cdsub(x)Te type semimetal and narrow-gap semiconductor

    International Nuclear Information System (INIS)

    Mekhtiyev, M.A.; Kalina, V.A.

    1980-01-01

    The conditions of appearance of tamm surface states and their energy spectrum on the boundary of semimetals and narrow-gap semiconductors are considered. By the Green function method the equation for surface state energy is obtained. The solution of the latter is analyzed in particular cases when energy of heavy hole zones of the semimetal and semiconductor is the same and when the heavy hole gap of the semiconductor is shifted down relatively to the semimetal of the same name gap as well as accurate computer calculation. It is shown that neither in parabolic limits, nor in cases of a strongly unparabolic semiconductor (semimetal) and a parabolic semimetal (semiconductor) the equation obtained has no solutions at small quasipulse values i.e. there are no surface states. In the case when the heavy hole zone of a semiconductor is shifted down for the value of the order of narrow-gap semiconductor the effective mass of surface states turns to be twice heavier than that of the semimetal volumetrical electrons [ru

  15. Online Coupling of Flow-Field Flow Fractionation and Single Particle Inductively Coupled Plasma-Mass Spectrometry: Characterization of Nanoparticle Surface Coating Thickness and Aggregation State

    Science.gov (United States)

    Surface coating thickness and aggregation state have strong influence on the environmental fate, transport, and toxicity of engineered nanomaterials. In this study, flow-field flow fractionation coupled on-line with single particle inductively coupled plasma-mass spectrometry i...

  16. In-situ XMCD evaluation of ferromagnetic state at FeRh thin film surface induced by 1 keV Ar ion beam irradiation and annealing

    Energy Technology Data Exchange (ETDEWEB)

    Matsui, T. [Research Organization for the 21st Century, Osaka Prefecture University, Sakai, Osaka 599-8531 (Japan); Graduate School of Engineering, Osaka Prefecture University, Sakai, Osaka 599-8531 (Japan); Aikoh, K. [Graduate School of Engineering, Osaka Prefecture University, Sakai, Osaka 599-8531 (Japan); Sakamaki, M.; Amemiya, K. [High Energy Accelerator Research Organization (KEK), Tsukuba, Ibaraki 305-0801 (Japan); Iwase, A. [Graduate School of Engineering, Osaka Prefecture University, Sakai, Osaka 599-8531 (Japan)

    2015-12-15

    Surface ferromagnetic state of FeRh thin films irradiated with 1 keV Ar ion-beam has been investigated by using soft X-ray Magnetic Circular Dichroism (XMCD). It was revealed that the Fe atoms of the samples were strongly spin-polarized after Ar ion-beam irradiation. Due to its small penetration depth, 1 keV Ar ion-beam irradiation can modify the magnetic state at subsurface of the samples. In accordance with the XMCD sum rule analysis, the main component of the irradiation induced ferromagnetism at the FeRh film surface was to be effective spin magnetic moment, and not to be orbital moment. We also confirmed that the surface ferromagnetic state could be produced by thermal annealing of the excessively ion irradiated paramagnetic subsurface of the FeRh thin films. This novel magnetic modification technique by using ion irradiation and subsequent annealing can be a potential tool to control the surface magnetic state of FeRh thin films.

  17. Correlations between deformations, surface state and leak rate in metal to metal contact; Correlations entre deformations, etat de surface et debit de fuite au contact metal-metal

    Energy Technology Data Exchange (ETDEWEB)

    Armand, G; Lapujoulade, J; Paigne, J [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1963-07-01

    The study of metal to metal contact from the stand-point of the leak rate has been carried on a copper ring located between two hard-steel flanges. The analysis of the results confirms the hysteresis phenomenon already seen. Some curves (leak rate versus force and leak rate versus true deformation) in semi-logarithmic coordinates are straight lines. Likewise some curves (electrical contact resistance versus force) in bi-logarithmic coordinates are straight lines. All these results can be understood by looking at the conductance introduced by the deformations of the micro-geometry of the surfaces in contact. Some tests carried out in rising the temperature confirm these hypothesis. (authors) [French] L'etude du contact metal-metal du point de vue debit de fuite a ete poursuivie en utilisant un anneau de cuivre place entre brides d'acier dur. L'analyse des resultats confirme le phenomene d'hysteresis deja constate, montre l'influence de l'etat de surface des brides et du joint. Certaines courbes (debit de fuite/force et debit de fuite/deformation rationnelle), en coordonnees semi-logarithmiques, sont des droites. De meme, certaines courbes (resistance de contact/force) en coordonnees bi-logarithmiques, sont des droites. Ces resultats s'interpretent en considerant la conductance produite par la deformation des microgeometries des surfaces en contact. Quelques essais d'elevation de temperature confirment ces resultats. (auteurs)

  18. Acidic deposition: State of science and technology. Report 11. Historical changes in surface-water acid-base chemistry in response to acidic deposition. Final report

    International Nuclear Information System (INIS)

    Sullivan, T.J.; Small, M.J.; Kingston, J.C.; Bernert, J.A.; Thomas, D.R.

    1990-09-01

    The objectives of the analyses reported in the State of Science report are to: identify the lake and stream populations in the United States that have experienced chronic changes in biologically significant constituents of surface water chemistry (e.g. pH, Al) in response to acidic deposition; quantify biologically meaningful historical changes in chronic surface water chemistry associated with acidic deposition, with emphasis on ANC, pH, and Al; estimate the proportion of lakes nor acidic that were not acidic in pre-industrial times; estimate the proportional response of each of the major chemical constituents that have changed in response to acidic deposition using a subset of statistically selected Adirondack lakes for which paleolimnological reconstructions of pre-industrial surface water chemistry have been performed; evaluate and improve, where appropriate and feasible, empirical models of predicting changes in ANC; and evaluate the response of seepage lakes to acidic deposition

  19. Mechanism of formation of humus coatings on mineral surfaces 3. Composition of adsorbed organic acids from compost leachate on alumina by solid-state 13C NMR

    Science.gov (United States)

    Wershaw, R. L.; Llaguno, E.C.; Leenheer, J.A.

    1996-01-01

    The adsorption of compost leachate DOC on alumina is used as a model for elucidation of the mechanism of formation of natural organic coatings on hydrous metal oxide surfaces in soils and sediments. Compost leachate DOC is composed mainly of organic acid molecules. The solid-state 13C NMR spectra of these organic acids indicate that they are very similar in composition to aquatic humic substances. Changes in the solid-state 13C NMR spectra of compost leachate DOC fractions adsorbed on alumina indicate that the DOC molecules are most likely adsorbed on metal oxide surfaces through a combination of polar and hydrophobic interaction mechanisms. This combination of polar and hydrophobic mechanism leads to the formation of bilayer coatings of the leachate molecules on the oxide surfaces.

  20. Incorporation of low energy activated nitrogen onto HOPG surface: Chemical states and thermal stability studies by in-situ XPS and Raman spectroscopy

    Science.gov (United States)

    Chandran, Maneesh; Shasha, Michal; Michaelson, Shaul; Hoffman, Alon

    2016-09-01

    In this paper we report the chemical states analysis of activated nitrogen incorporated highly oriented pyrolytic graphite (HOPG) surface under well-controlled conditions. Nitrogen incorporation is carried out by two different processes: an indirect RF nitrogen plasma and low energy (1 keV) N2+ implantation. Bonding configuration, concentration and thermal stability of the incorporated nitrogen species by aforesaid processes are systematically compared by in-situ X-ray photoelectron spectroscopy (XPS). Relatively large concentration of nitrogen is incorporated onto RF nitride HOPG surface (16.2 at.%), compared to N2+ implanted HOPG surface (7.7 at.%). The evolution of N 1s components (N1, N2, N3) with annealing temperature is comprehensively discussed, which indicates that the formation and reorganization of local chemical bonding states are determined by the process of nitridation and not by the prior chemical conditioning (i.e., amorphization or hydrogenation) of the HOPG surface. A combined XPS and Raman spectroscopy studies revealed that N2+ implantation process resulted in a high level of defects to the HOPG surface, which cannot be annealed-out by heat treatment up to 1000 °C. On the other hand, the RF nitrogen plasma process did not produce a high level of surface defects, while incorporating nearly the same amount of stable nitrogen species.

  1. Steady State Sputtering Yields and Surface Compositions of Depleted Uranium and Uranium Carbide bombarded by 30 keV Gallium or 16 keV Cesium Ions.

    Energy Technology Data Exchange (ETDEWEB)

    Siekhaus, W. J. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Teslich, N. E. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Weber, P. K. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2014-10-23

    Depleted uranium that included carbide inclusions was sputtered with 30-keV gallium ions or 16-kev cesium ions to depths much greater than the ions’ range, i.e. using steady-state sputtering. The recession of both the uranium’s and uranium carbide’s surfaces and the ion corresponding fluences were used to determine the steady-state target sputtering yields of both uranium and uranium carbide, i.e. 6.3 atoms of uranium and 2.4 units of uranium carbide eroded per gallium ion, and 9.9 uranium atoms and 3.65 units of uranium carbide eroded by cesium ions. The steady state surface composition resulting from the simultaneous gallium or cesium implantation and sputter-erosion of uranium and uranium carbide were calculated to be U₈₆Ga₁₄, (UC)₇₀Ga₃₀ and U₈₁Cs₉, (UC)₇₉Cs₂₁, respectively.

  2. Influence of Femtosecond Laser Parameters and Environment on Surface Texture Characteristics of Metals and Non-Metals - State of the Art

    Science.gov (United States)

    Bharatish, A.; Soundarapandian, S.

    2018-04-01

    Enhancing the surface functionality by ultrashort pulsed laser texturing has received the considerable attention from researchers in the past few decades. Femtosecond lasers are widely adopted since it provides high repeatability and reproducibility by minimizing the heat affected zone (HAZ) and other collateral damages to a great extent. The present paper reports some recent studies being made worldwide on femtosecond laser surface texturing of metals, ceramics, polymers, semiconductors, thinfilms and advanced nanocomposites. It presents the state of the art knowledge in femtosecond laser surface texturing and the potential of this technology to improve properties in terms of biological, tribological and wetting performance. Since the texture quality and functionality are enhanced by the proper selection of appropriate laser parameters and ambient conditions for individual application, reporting the influence of laser parameters on surface texture characteristics assume utmost importance.

  3. How to calculate linear absorption spectra with lifetime broadening using fewest switches surface hopping trajectories: A simple generalization of ground-state Kubo theory

    International Nuclear Information System (INIS)

    Petit, Andrew S.; Subotnik, Joseph E.

    2014-01-01

    In this paper, we develop a surface hopping approach for calculating linear absorption spectra using ensembles of classical trajectories propagated on both the ground and excited potential energy surfaces. We demonstrate that our method allows the dipole-dipole correlation function to be determined exactly for the model problem of two shifted, uncoupled harmonic potentials with the same harmonic frequency. For systems where nonadiabatic dynamics and electronic relaxation are present, preliminary results show that our method produces spectra in better agreement with the results of exact quantum dynamics calculations than spectra obtained using the standard ground-state Kubo formalism. As such, our proposed surface hopping approach should find immediate use for modeling condensed phase spectra, especially for expensive calculations using ab initio potential energy surfaces

  4. Total Hip Arthroplasty Bearing Surface Trends in the United States From 2007 to 2014: The Rise of Ceramic on Polyethylene.

    Science.gov (United States)

    Heckmann, Nathanael D; Sivasundaram, Lakshmanan; Stefl, Michael D; Kang, Hyunwoo Paco; Basler, Eric T; Lieberman, Jay R

    2018-06-01

    Wear of the bearing surface is a critical element in determining the longevity of a total hip arthroplasty (THA). Over the past decade, concerns related to modern metal-on-metal (MoM) bearings and corrosion at the femoral head-neck interface have influenced surgeon selection of bearing surfaces. The purpose of this study is to analyze trends in THA bearing surface selection from 2007 through 2014 using a large national database. The Nationwide Inpatient Sample database was used to extract bearing surface data from patients who underwent a primary THA between 2007 and 2014. Patients were grouped by bearing surface type: metal-on-polyethylene (MoP), ceramic-on-polyethylene (CoP), MoM, and ceramic-on-ceramic (CoC) bearings. Descriptive statistics were employed to describe trends. Univariate and multivariate analyses were performed to identify differences between bearing surface groups. During the study period, 2,460,640 THA discharges were identified, of which 1,059,825 (43.1%) had bearing surface data. A total of 496,713 (46.9%) MoP, 307,907 (29.1%) CoP, 210,381 (19.9%) MoM, and 44,823 (4.2%) CoC cases were identified. MoM utilization peaked in 2008 representing 40.1% of THAs implanted that year and steadily declined to 4.0% in 2014. From 2007 to 2014, the use of CoP bearing surfaces increased from 11.1% of cases in 2007 to 50.8% of cases in 2014. In 2014, CoP utilization surpassed MoP which represented 42.1% of bearing surfaces that year. During the study period, MoM bearing surfaces decreased precipitously, while CoP surpassed MoP as the most popular bearing surface used in a THA. Copyright © 2018 Elsevier Inc. All rights reserved.

  5. Surface-Based Regional Homogeneity in First-Episode, Drug-Naïve Major Depression: A Resting-State fMRI Study

    Directory of Open Access Journals (Sweden)

    Hui-Jie Li

    2014-01-01

    Full Text Available Background. Previous volume-based regional homogeneity (ReHo studies neglected the intersubject variability in cortical folding patterns. Recently, surface-based ReHo was developed to reduce the intersubject variability and to increase statistical power. The present study used this novel surface-based ReHo approach to explore the brain functional activity differences between first-episode, drug-naïve MDD patients and healthy controls. Methods. Thirty-three first-episode, drug-naïve MDD patients and 32 healthy controls participated in structural and resting-state fMRI scans. MDD patients were rated with a 17-item Hamilton Rating Scale for Depression prior to the scan. Results. In comparison with the healthy controls, MDD patients showed reduced surface-based ReHo in the left insula. There was no increase in surface-based ReHo in MDD patients. The surface-based ReHo value in the left insula was not significantly correlated with the clinical information or the depressive scores in the MDD group. Conclusions. The decreased surface-based ReHo in the left insula in MDD may lead to the abnormal top-down cortical-limbic regulation of emotional and cognitive information. The surface-based ReHo may be a useful index to explore the pathophysiological mechanism of MDD.

  6. Extremely large nonsaturating magnetoresistance and ultrahigh mobility due to topological surface states in the metallic Bi2Te3 topological insulator

    Science.gov (United States)

    Shrestha, K.; Chou, M.; Graf, D.; Yang, H. D.; Lorenz, B.; Chu, C. W.

    2017-05-01

    Weak antilocalization (WAL) effects in Bi2Te3 single crystals have been investigated at high and low bulk charge-carrier concentrations. At low charge-carrier density the WAL curves scale with the normal component of the magnetic field, demonstrating the dominance of topological surface states in magnetoconductivity. At high charge-carrier density the WAL curves scale with neither the applied field nor its normal component, implying a mixture of bulk and surface conduction. WAL due to topological surface states shows no dependence on the nature (electrons or holes) of the bulk charge carriers. The observations of an extremely large nonsaturating magnetoresistance and ultrahigh mobility in the samples with lower carrier density further support the presence of surface states. The physical parameters characterizing the WAL effects are calculated using the Hikami-Larkin-Nagaoka formula. At high charge-carrier concentrations, there is a greater number of conduction channels and a decrease in the phase coherence length compared to low charge-carrier concentrations. The extremely large magnetoresistance and high mobility of topological insulators have great technological value and can be exploited in magnetoelectric sensors and memory devices.

  7. Acidic deposition: State of science and technology. Report 9. Current status of surface-water acid-base chemistry. Final report

    International Nuclear Information System (INIS)

    Baker, L.A.; Kaufmann, P.R.; Brakke, D.F.; Herlihy, A.T.; Eilers, J.M.

    1990-09-01

    The report is based largely upon the National Surface Water Survey (NSWS), augmented by numerous smaller state and university surveys and many detailed watershed studies. In describing the current status of surface waters, the authors go far beyond the description of population statistics, although some of this is necessary, and direct their attention to the interpretation of these data. They address the question of the sources of acidity to surface waters in order to determine the relative importance of acidic deposition compared with other sources, such as naturally produced organic acids and acid mine drainage. They also examine in some detail what they call 'high interest' populations-the specific groups of lakes and streams most likely to be impacted by acidic deposition. The authors then turn to the general question of uncertainty, and finally examine low alkalinity surface waters in several other parts of the world to develop further inferences about the acid-base status of surface waters in the United States

  8. Studying the state of the surface and internal mass of powder-like zinc and cadmium sulfides

    International Nuclear Information System (INIS)

    Bundel', A.A.; Khozhainov, Yu.M.

    1979-01-01

    The investigation on the chemical and the phase composition of the surface and the bulk of powder zinc and cadmium sulphides as a function of the conditions of ignition and physico-chemical processing carried out using electron diffraction, X-ray phase and chemical analyses. The electron diffraction analysis has shown that ignition gives rise to zinc oxide on the surface of zinc sulphide particles and in the case of cadmium sulphide, to metallic cadmium. To obtain a pure zinc sulphide, free from its oxide both on the surface and in bulk, use should be made of a deoxidized preparation and all contact with oxidizing medium in subsequent ignition should be eliminated

  9. Surface donor states distribution post SiN passivation of AlGaN/GaN heterostructures

    Energy Technology Data Exchange (ETDEWEB)

    Goyal, Nitin, E-mail: nitin@unik.no [Carinthian Tech Research CTR AG, Europastraße 4/1, Technologiepark Villach, A- 9524 Villach/St. Magdalen (Austria); Department of Electronics and Telecommunication, Norwegian University of Science and Technology, Trondheim NO7034 (Norway); Fjeldly, Tor A. [Department of Electronics and Telecommunication, Norwegian University of Science and Technology, Trondheim NO7034 (Norway)

    2014-07-21

    In this paper, we present a physics based analytical model to describe the effect of SiN passivation on two-dimensional electron gas density and surface barrier height in AlGaN/GaN heterostructures. The model is based on an extraction technique to calculate surface donor density and surface donor level at the SiN/AlGaN interface. The model is in good agreement with the experimental results and promises to become a useful tool in advanced design and characterization of GaN based heterostructures.

  10. Investigation of the Effect of Small Hardening Spots Created on the Sample Surface by Laser Complex with Solid-State Laser

    Science.gov (United States)

    Nozdrina, O.; Zykov, I.; Melnikov, A.; Tsipilev, V.; Turanov, S.

    2018-03-01

    This paper describes the results of an investigation of the effect of small hardening spots (about 1 mm) created on the surface of a sample by laser complex with solid-state laser. The melted area of the steel sample is not exceed 5%. Steel microhardness change in the region subjected to laser treatment is studied. Also there is a graph of the deformation of samples dependence on the tension. As a result, the yield plateau and plastic properties changes were detected. The flow line was tracked in the series of speckle photographs. As a result we can see how mm surface inhomogeneity can influence on the deformation and strength properties of steel.

  11. LT-STM/STS observation of definite superconducting gap states on the multistage crystal surface of Bi2Sr2CaCu2O8+x

    International Nuclear Information System (INIS)

    Murakami, Hironaru; Aoki, Ryozo

    1996-01-01

    Low temperature STM/STS observations have been carried out on cleaved BSCCO crystal surfaces. The authors have succeeded in detection of a special layer, probably a CuO 2 or Ca layer exposed on the surface. The STS spectrum which was reproducibly observed on this special site shows a considerably anisotropic but distinct superconducting gap structure with a definite and flat gap bottom region. This gap structure shows significantly different characteristic from another gap structure observed on the BiO layer, which shows a rounded shape at the gap bottom region without any indication of a finite gap state

  12. Electronic structure, Dirac points and Fermi arc surface states in three-dimensional Dirac semimetal Na3Bi from angle-resolved photoemission spectroscopy

    International Nuclear Information System (INIS)

    Liang Aiji; Chen Chaoyu; Wang Zhijun; Shi Youguo; Feng Ya; Yi Hemian; Xie Zhuojin; He Shaolong; He Junfeng; Peng Yingying; Liu Yan; Liu Defa; Hu Cheng; Zhao Lin; Liu Guodong; Dong Xiaoli; Zhang Jun; Nakatake, M; Iwasawa, H; Shimada, K

    2016-01-01

    The three-dimensional (3D) Dirac semimetals have linearly dispersive 3D Dirac nodes where the conduction band and valence band are connected. They have isolated 3D Dirac nodes in the whole Brillouin zone and can be viewed as a 3D counterpart of graphene. Recent theoretical calculations and experimental results indicate that the 3D Dirac semimetal state can be realized in a simple stoichiometric compound A 3 Bi ( A = Na, K, Rb). Here we report comprehensive high-resolution angle-resolved photoemission (ARPES) measurements on the two cleaved surfaces, (001) and (100), of Na 3 Bi. On the (001) surface, by comparison with theoretical calculations, we provide a proper assignment of the observed bands, and in particular, pinpoint the band that is responsible for the formation of the three-dimensional Dirac cones. We observe clear evidence of 3D Dirac cones in the three-dimensional momentum space by directly measuring on the k x – k y plane and by varying the photon energy to get access to different out-of-plane k z s. In addition, we reveal new features around the Brillouin zone corners that may be related with surface reconstruction. On the (100) surface, our ARPES measurements over a large momentum space raise an issue on the selection of the basic Brillouin zone in the (100) plane. We directly observe two isolated 3D Dirac nodes on the (100) surface. We observe the signature of the Fermi-arc surface states connecting the two 3D Dirac nodes that extend to a binding energy of ∼150 meV before merging into the bulk band. Our observations constitute strong evidence on the existence of the Dirac semimetal state in Na 3 Bi that are consistent with previous theoretical and experimental work. In addition, our results provide new information to clarify on the nature of the band that forms the 3D Dirac cones, on the possible formation of surface reconstruction of the (001) surface, and on the issue of basic Brillouin zone selection for the (100) surface. (rapid communication)

  13. Monitoring of multiple solid-state transformations at tablet surfaces using multi-series near-infrared hyperspectral imaging and multivariate curve resolution

    DEFF Research Database (Denmark)

    Alexandrino, Guilherme L; Khorasani, Milad Rouhi; Amigo Rubio, Jose Manuel

    2015-01-01

    The assessment of the solid-state stability of active pharmaceutical ingredient (API) and/or excipients in solid dosage forms during manufacturing and storage is mandatory for safeguarding quality of the final products. In this work, the solid-state transformations in tablets prepared as blends...... of piroxicam monohydrate (API), polyvinylpyrrolidone and the lactose forms monohydrate or anhydrate were studied when the tablets were exposed to the 23-120°C range. Multi-series near-infrared hyperspectral images were obtained from the surface of each sample for unveiling the local evolution of the solid......-state transformations. The preprocessed spectra from the images (dataset) were arranged in augmented matrices, according to the composition of the tablets, and the profile of the overlapped compounds (relative concentration) along the solid-state transformations in the pixels was resolved by using multivariate curve...

  14. A nodally condensed SUPG formulation for free-surface computation of steady-state flows constrained by unilateral contact - Application to rolling

    Science.gov (United States)

    Arora, Shitij; Fourment, Lionel

    2018-05-01

    In the context of the simulation of industrial hot forming processes, the resultant time-dependent thermo-mechanical multi-field problem (v →,p ,σ ,ɛ ) can be sped up by 10-50 times using the steady-state methods while compared to the conventional incremental methods. Though the steady-state techniques have been used in the past, but only on simple configurations and with structured meshes, and the modern-days problems are in the framework of complex configurations, unstructured meshes and parallel computing. These methods remove time dependency from the equations, but introduce an additional unknown into the problem: the steady-state shape. This steady-state shape x → can be computed as a geometric correction t → on the domain X → by solving the weak form of the steady-state equation v →.n →(t →)=0 using a Streamline Upwind Petrov Galerkin (SUPG) formulation. There exists a strong coupling between the domain shape and the material flow, hence, a two-step fixed point iterative resolution algorithm was proposed that involves (1) the computation of flow field from the resolution of thermo-mechanical equations on a prescribed domain shape and (2) the computation of steady-state shape for an assumed velocity field. The contact equations are introduced in the penalty form both during the flow computation as well as during the free-surface correction. The fact that the contact description is inhomogeneous, i.e., it is defined in the nodal form in the former, and in the weighted residual form in the latter, is assumed to be critical to the convergence of certain problems. Thus, the notion of nodal collocation is invoked in the weak form of the surface correction equation to homogenize the contact coupling. The surface correction algorithm is tested on certain analytical test cases and the contact coupling is tested with some hot rolling problems.

  15. Understanding the influence of surface chemical states on the dielectric tunability of sputtered Ba0.5Sr0.5TiO3 thin films

    Science.gov (United States)

    Venkata Saravanan, K.; Raju, K. C. James

    2014-03-01

    The surface chemical states of RF-magnetron sputtered Ba0.5Sr0.5TiO3 (BST5) thin films deposited at different oxygen mixing percentage (OMP) was examined by x-ray photoelectron spectroscopy. The O1s XPS spectra indicate the existence of three kinds of oxygen species (dissociated oxygen ion O2 -, adsorbed oxide ion O- and lattice oxide ion O2-) on the films’ surface, which strongly depends on OMP. The presence of oxygen species other than lattice oxygen ion makes the films’ surface highly reactivity to atmospheric gases, resulting in the formation of undesired surface layers. The XPS results confirm the formation of surface nitrates for the films deposited under oxygen deficient atmosphere (OMP ≦̸ 25%), whereas the films deposited in oxygen rich atmosphere (OMP ≧̸ 75%) show the presence of metal-hydroxide. The influence of a surface dead layer on the tunable dielectric properties of BST5 films have been studied in detail and are reported. Furthermore, our observations indicate that an optimum ratio of Ar:O2 is essential for achieving desired material and dielectric properties in BST5 thin films. The films deposited at 50% OMP have the highest dielectric tunability of ~65% (@280 kV cm-1), with good ɛ r-E curve symmetry of 98% and low tan δ of 0.018. The figure of merit for these films is about 35, which is promising for frequency agile device applications.

  16. Determination of the ratio between phosphorus and uranium in surface waters selected in the State of Mexico

    International Nuclear Information System (INIS)

    Ordonez R, E.

    2001-01-01

    The agricultural regions lately, they have suffered a severe contamination for the big ones quantities of chemical fertilizers and of pesticides applied to improve their production and quality, increasing these in areas with temperatures but you lower that the average. For the importance of the physicochemical processes that they are made in the waters to settle down surface near to agricultural fields, the physicochemical characteristics were analysed of these waters to determine the contributions that they carry out the phosphate fertilizers that are carried by the escorrentia toward the borders and to make a pursuit of their variability during an agricultural cycle, in times of the summertime and of rains, as well as to observe the effect of the depth in these physicochemical properties. Its were sampling three borders and a spring that it served of white, all them located in the suburbs of the Xinantecatl (Nevado de Toluca), municipality of Zinacantepec, State of Mexico, area with the temperatures but drops registered in the region. They were carried out samplings in the first days of the months of April, July and November. The points of those sampled borders were the influent, the effluent and 3 different depths (lm, 3m and 5m). where was not possible sampling all the points, its were sampling only the one influent and the effluent. The selected physicochemical parameters were the temperature, the pH, the conductivity electric and the one oxygenates dissolved This determination in situ you carries out with a team portable of type Check-Mate, of interchangeable electrodes. The certain anions they were phosphates, nitrates, sulfates and bicarbonates; the measurement of the concentration of anions, one carries out for ultraviolet-visible light spectroscopy and titration. The cations analysed they were sodium, potassium, iron, calcium and magnesium. The cations concentration was determined by atomic absorption spectroscopy. The determination of the uranium

  17. The influence of the bulk reduction state on the surface structure and morphology of rutile TiO{sub 2}(110) single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Li, M.; Hebenstreit, W.; Diebold, U.; Tyryshkin, A.M.; Bowman, M.K.; Dunham, G.G.; Henderson, M.A.

    2000-05-25

    The authors have investigated the relationship between different types and amounts of bulk defects and the surface morphology of TiO{sub 2}(110) single crystals prepared by annealing in ultrahigh vacuum and in oxygen. Rutile TiO{sub 2}(110) specimens were cut from the same crystal and were heated in a furnace to different temperatures which resulted in different states of reduction (colors of the crystals). After characterization of the bulk defects with electron paramagnetic resonance (EPR), the specimens were studied with scanning tunneling microscopy (STM), low-energy He{sup +} ion scattering (LEIS), and work function measurements. EPR reveals that darker rutile crystals exhibit higher concentrations of extended Ti{sup 3+} related bulk defects such as crystallographic shear planes (CSP), with a decrease in substitutional and interstitial defects as compared to lighter crystals. Surface structures with (1 x 2) features are preferably formed upon UHV annealing on these darker crystals. LEIS measurements show that all of the crystals' (110) surfaces are reoxidized upon annealing in {sup 18}O{sub 2} (573 K, 1 x 10{sup {minus}6} mbar, 10 min) and that the {sup 18}O surface content is proportional to the bulk reduction state. UV-visible adsorption spectra and resistivity measurements also scale with the reduction states of crystals. Only the (1 x 1) structure is observed on the surface of slightly reduced crystals. Annealing in oxygen induces additional metastable structures, i.e., TiO{sub 2} clusters on blue crystals and rosette networks on dark blue crystals.

  18. Local structures of mesoporous bioactive glasses and their surface alterations in vitro: inferences from solid-state nuclear magnetic resonance

    Science.gov (United States)

    Gunawidjaja, Philips N.; Mathew, Renny; Lo, Andy Y. H.; Izquierdo-Barba, Isabel; García, Ana; Arcos, Daniel; Mattias Edén, María Vallet-Regí

    2012-01-01

    We review the benefits of using 29Si and 1H magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy for probing the local structures of both bulk and surface portions of mesoporous bioactive glasses (MBGs) of the CaO–SiO2−(P2O5) system. These mesoporous materials exhibit an ordered pore arrangement, and are promising candidates for improved bone and tooth implants. We discuss experimental MAS NMR results from three MBGs displaying different Ca, Si and P contents: the 29Si NMR spectra were recorded either directly by employing radio-frequency pulses to 29Si, or by magnetization transfers from neighbouring protons using cross polarization, thereby providing quantitative information about the silicate speciation present in the pore wall and at the MBG surface, respectively. The surface modifications were monitored for the three MBGs during their immersion in a simulated body fluid (SBF) for intervals between 30 min and one week. The results were formulated as a reaction sequence describing the interconversions between the distinct silicate species. We generally observed a depletion of Ca2+ ions at the MBG surface, and a minor condensation of the silicate-surface network over one week of SBF soaking. PMID:22349247

  19. Investigation of Thermostressed State of Coating Formation at Electric Contact Surfacing of “Shaft” Type Parts

    Directory of Open Access Journals (Sweden)

    Olena V. Berezshnaya

    2016-01-01

    Full Text Available The forming of coating at electric contact surfacing is considered. The mathematical model of the coating formation is developed. The method of numerical recurrent solution of the finite-difference form of static equilibrium conditions of the selected elementary volume of coating is used. This model considers distribution of thermal properties and geometric parameters along the thermal deformation zone during the process of electric contact surfacing by compact material. It is found that the change of value of speed asymmetry factor leads to increasing of the friction coefficient in zone of surfacing. This provides the forming of the coating of higher quality. The limitation of the technological capabilities of equipment for electric contact surfacing is related to the size of recoverable parts and application of high electromechanical powers. The regulation of the speed asymmetry factor allows for expanding the technological capabilities of equipment for electric contact surfacing. The nomograms for determination of the stress on the roller electrode and the finite thickness of the coating as the function of the initial thickness of the compact material and the deformation degree are shown.

  20. Investigation of the near-surface structures of polar InN films by chemical-state-discriminated hard X-ray photoelectron diffraction

    International Nuclear Information System (INIS)

    Yang, A. L.; Yamashita, Y.; Kobata, M.; Yoshikawa, H.; Sakata, O.; Kobayashi, K.; Matsushita, T.; Píš, I.; Imura, M.; Yamaguchi, T.; Nanishi, Y.

    2013-01-01

    Near-surface structures of polar InN films were investigated by laboratory-based hard X-ray photoelectron diffraction (HXPD) with chemical-state-discrimination. HXPD patterns from In 3d 5/2 and N 1s core levels of the In-polar and N-polar InN films were different from each other and compared with the simulation results using a multiple-scattering cluster model. It was found that the near-surface structure of the In-polar InN film was close to the ideal wurtzite structure. On the other hand, on the N-polar InN film, defects-rich surface was formed. In addition, the existence of the In-polar domains was observed in the HXPD patterns.

  1. Experimental study of the strain state at the area of a surface defect in a steel cylindrical shell subjected to internal pressure

    OpenAIRE

    Бесчетников, Д. А.

    2014-01-01

    Experimental research of stress-strain state at the area of local volumetric surface defects of the pipeline systems is an important goal because results of the measurements are necessary for increasing of effectiveness of existing repair technologies using fiber reinforcement polymer composite materials. In this work the description of experiment carried out by the author is presented with statement of results. The experiment was devoted to strain gauging of a steel cylindrical shell with vo...

  2. Li insertion into Li4Ti5O12 spinel prepared by low temperature solid state route: Charge capability vs surface area

    Czech Academy of Sciences Publication Activity Database

    Zukalová, Markéta; Fabián, M.; Klusáčková, Monika; Klementová, Mariana; Pitňa Lásková, Barbora; Danková, Z.; Senna, M.; Kavan, Ladislav

    2018-01-01

    Roč. 265 (2018), s. 480-487 ISSN 0013-4686 R&D Projects: GA ČR GA15-06511S; GA MŠk LM2015087; GA MŠk 8F15003 Institutional support: RVO:61388955 ; RVO:68378271 Keywords : Li4Ti5O12 * Charge capacity * Solid state * Li insertion * Surface area Subject RIV: CG - Electrochemistry OBOR OECD: Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis) Impact factor: 4.798, year: 2016

  3. Fermi Surface Properties of Eu-Divalent and Eu-Trivalent Electronic States with the AuCu3-type Cubic Structure

    International Nuclear Information System (INIS)

    Nakamura, Ai; Takeuchi, Tetsuya; Tatetsu, Yasutomi; Maehira, Takahiro; Hedo, Masato; Nakama, Takao; Ōnuki, Yoshichika; Harima, Hisatomo

    2015-01-01

    The electronic states in EuBi 3 and EuPd 3 are known to be Eu-divalent and Eu- trivalent, respectively, from the previous studies using polycrystal samples. In the present study, we succeeded in growing high-quality single crystals, and carried out the de Haas-van Alphen (dHvA) measurements and energy band calculations to clarify the Fermi surface properties

  4. Spatial and thickness dependence of coupling interaction of surface states and influence on transport and optical properties of few-layer Bi2Se3

    Science.gov (United States)

    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.

  5. The Role of Intrinsic and Surface States on the Emission Properties of Colloidal CdSe and CdSe/ZnS Quantum Dots

    Directory of Open Access Journals (Sweden)

    Morello Giovanni

    2007-01-01

    Full Text Available AbstractTime Resolved Photoluminescence (TRPL measurements on the picosecond time scale (temporal resolution of 17 ps on colloidal CdSe and CdSe/ZnS Quantum Dots (QDs were performed. Transient PL spectra reveal three emission peaks with different lifetimes (60 ps, 460 ps and 9–10 ns, from the bluest to the reddest peak. By considering the characteristic decay times and by comparing the energetic separations among the states with those theoretically expected, we attribute the two higher energy peaks to ± 1Uand ± 1L bright states of the fine structure picture of spherical CdSe QDs, and the third one to surface states emission. We show that the contribution of surface emission to the PL results to be different for the two samples studied (67% in the CdSe QDs and 32% in CdSe/ZnS QDs, confirming the decisive role of the ZnS shell in the improvement of the surface passivation.

  6. Effect of physisorbed molecules and an external external fields on the metallic Shockley surface state of Cu(111): A density functional theory study

    Science.gov (United States)

    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.

  7. Topics in bound-state dynamical processes: semiclassical eigenvalues, reactive scattering kernels and gas-surface scattering models

    International Nuclear Information System (INIS)

    Adams, J.E.

    1979-05-01

    The difficulty of applying the WKB approximation to problems involving arbitrary potentials has been confronted. Recent work has produced a convenient expression for the potential correction term. However, this approach does not yield a unique correction term and hence cannot be used to construct the proper modification. An attempt is made to overcome the uniqueness difficulties by imposing a criterion which permits identification of the correct modification. Sections of this work are: semiclassical eigenvalues for potentials defined on a finite interval; reactive scattering exchange kernels; a unified model for elastic and inelastic scattering from a solid surface; and selective absorption on a solid surface

  8. Surface Design in Solid-State Dye Sensitized Solar Cells: Effects of Zwitterionic Co-adsorbents on Photovoltaic Performance

    KAUST Repository

    Wang, Mingkui; Grä tzel, Carole; Moon, Soo-Jin; Humphry-Baker, Robin; Rossier-Iten, Nathalie; Zakeeruddin, Shaik M.; Grä tzel, Michael

    2009-01-01

    In solid-state dye sensitized solar cells (SSDSCs) charge recombination at the dye-hole transporting material interface plays a critical role in the cell efficiency. For the first time we report on the influence of dipolar coadsorbents

  9. Factors affecting the long-term response of surface waters to acidic deposition: state-of-the-science

    Energy Technology Data Exchange (ETDEWEB)

    Turner, R.S.; Johnson, D.W.; Elwood, J.N.; Van Winkle, W.; Clapp, R.B.; Jones, M.L.; Marmarek, D.R.; Thornton, K.W.; Gherinig, S.A.; Schnoor, J.L.

    1986-01-01

    Recent intensive study of the causes of surface water acidification has led to numerous hypothesized controlling mechanisms. Among these are the salt-effect reduction of alkalinity, the base cation buffering and sulfate adsorption capacities of soils, availability of weatherable minerals (weathering rates), depth of till, micropore flow, and type of forest cover. Correlative and predictive models have been developed to show the relationships (if any) between hypothesized controlling mechanisms and surface water acidity, and to suggest under what conditions additional surface water might become acid. This document (Part A) is a review of our current knowledge of factors and processes controlling soil and surface water acidification, as well as an assessment of the adequacy of that knowledge for making predictions of future acidification. Section 2 is a data extensive, conceptual overview of how watersheds function. Section 3 is a closer look at the theory and evidence for the key hypotheses. Section 4 is a review of existing methods of assessing system response to acidic deposition.

  10. The transition from the adsorbed state to a surface alloy in the Sn/Ni(111) system

    Czech Academy of Sciences Publication Activity Database

    Karakalos, S.; Kennou, S.; Ladas, S.; Janeček, P.; Šutara, F.; Nehasil, V.; Fabík, S.; Tsud, N.; Prince, K. C.; Matolín, V.; Cháb, Vladimír

    2006-01-01

    Roč. 600, - (2006), s. 4067-4071 ISSN 0039-6028 Grant - others:Greek-Czech Bilateral Project(GR) KONTAKT 2003-2005 Institutional research plan: CEZ:AV0Z10100521 Keywords : nickel * tin * surface alloying * synchrotron radiation photoelectron spectroscopy * LEED * CO adsorption Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.880, year: 2006

  11. Quantifying the role of National Forest system lands in providing surface drinking water supply for the Southern United States

    Science.gov (United States)

    Peter Caldwell; Corinne Muldoon; Chelcy Ford-Miniat; Erika Cohen; Suzanne Krieger; Ge Sun; Steven McNulty; Paul V. Bolstad

    2014-01-01

    Forests and water are inextricably linked, and people are dependent on forested lands to provide clean, reliable water supplies for drinking and to support local economies. These water supplies are at risk of degradation from a growing population, continued conversion of forests to other land uses, and climate change. Given the variety of threats to surface water, it...

  12. Solid state synthesis, characterization, surface and catalytic properties of Pr2CoO4 and Pr2NiO4 catalyst

    International Nuclear Information System (INIS)

    Sinha, K.K.; Indu, N.K.; Sinha, S.K.; Pankaj, A.K.

    2008-01-01

    Full text: The most interesting non-stoichiometric oxides are found in transition metal and rare earth oxides at higher temperatures. The role of Solid State properties in the catalysis using mixed metal oxide as catalyst have wide applications in fertilizer, Petro-chemical, Pharmaceutical, cosmetic, paint detergents, plastics and food-stuff industries and these are also resistive towards acids and alkalies. The use of catalyst has opened up new process routes or revolutioned the existing process in terms of economics and efficiency and has radically changed the industrial scenario. The use of catalyst is so pervasive today that nearly 70 % of modern chemical processes are based on it at some stage or other and 90% new processes developed are catalytic nature. A series of non-stoichiometric spinel type of oxide catalyst of Praseodymium with cobalt and nickel were synthesized by their oxalates through Solid State reaction technique at different activation temperatures i.e. 600, 700, 800 and 900 deg C. The characterization of catalyst was done by XRD, FTIR and ESR methods. X-ray powder diffraction study shows that catalysts are made up of well grown crystallinities mostly in single phase crystal and system is of orthorhombic structure. FTIR is related to inadequate decomposition of oxalate ion from the Catalyst. The kinetic decomposition of Urea was employed as a model reaction to study the catalytic potentiality of different catalysts. Surface and Catalytic Properties of catalysts were measured. A relation between activation temperature and surface properties like excess surface oxygen (E.S.O.), surface acidity and surface area was observed. A linear relationship between the surface area of the catalyst and the amount of ammonia gas evolved per gm of the sample was observed also. Nickel containing catalysts were found a bit more catalytic active in comparison to cobalt oxide catalysts. Transition metal ions (i.e. Ni 2+ and Co 2+ ions) are mainly responsible for

  13. High-resolution climate and land surface interactions modeling over Belgium: current state and decennial scale projections

    Science.gov (United States)

    Jacquemin, Ingrid; Henrot, Alexandra-Jane; Beckers, Veronique; Berckmans, Julie; Debusscher, Bos; Dury, Marie; Minet, Julien; Hamdi, Rafiq; Dendoncker, Nicolas; Tychon, Bernard; Hambuckers, Alain; François, Louis

    2016-04-01

    The interactions between land surface and climate are complex. Climate changes can affect ecosystem structure and functions, by altering photosynthesis and productivity or inducing thermal and hydric stresses on plant species. These changes then impact socio-economic systems, through e.g., lower farming or forestry incomes. Ultimately, it can lead to permanent changes in land use structure, especially when associated with other non-climatic factors, such as urbanization pressure. These interactions and changes have feedbacks on the climate systems, in terms of changing: (1) surface properties (albedo, roughness, evapotranspiration, etc.) and (2) greenhouse gas emissions (mainly CO2, CH4, N2O). In the framework of the MASC project (« Modelling and Assessing Surface Change impacts on Belgian and Western European climate »), we aim at improving regional climate model projections at the decennial scale over Belgium and Western Europe by combining high-resolution models of climate, land surface dynamics and socio-economic processes. The land surface dynamics (LSD) module is composed of a dynamic vegetation model (CARAIB) calculating the productivity and growth of natural and managed vegetation, and an agent-based model (CRAFTY), determining the shifts in land use and land cover. This up-scaled LSD module is made consistent with the surface scheme of the regional climate model (RCM: ALARO) to allow simulations of the RCM with a fully dynamic land surface for the recent past and the period 2000-2030. In this contribution, we analyze the results of the first simulations performed with the CARAIB dynamic vegetation model over Belgium at a resolution of 1km. This analysis is performed at the species level, using a set of 17 species for natural vegetation (trees and grasses) and 10 crops, especially designed to represent the Belgian vegetation. The CARAIB model is forced with surface atmospheric variables derived from the monthly global CRU climatology or ALARO outputs

  14. Temporal and spatial patterns of wetland extent influence variability of surface water connectivity in the Prairie Pothole Region, United States

    Science.gov (United States)

    Vanderhoof, Melanie; Alexander, Laurie C.; Todd, Jason

    2016-01-01

    Context. Quantifying variability in landscape-scale surface water connectivity can help improve our understanding of the multiple effects of wetlands on downstream waterways. Objectives. We examined how wetland merging and the coalescence of wetlands with streams varied both spatially (among ecoregions) and interannually (from drought to deluge) across parts of the Prairie Pothole Region. Methods. Wetland extent was derived over a time series (1990-2011) using Landsat imagery. Changes in landscape-scale connectivity, generated by the physical coalescence of wetlands with other surface water features, were quantified by fusing static wetland and stream datasets with Landsat-derived wetland extent maps, and related to multiple wetness indices. The usage of Landsat allows for decadal-scale analysis, but limits the types of surface water connections that can be detected. Results. Wetland extent correlated positively with the merging of wetlands and wetlands with streams. Wetness conditions, as defined by drought indices and runoff, were positively correlated with wetland extent, but less consistently correlated with measures of surface water connectivity. The degree of wetland-wetland merging was found to depend less on total wetland area or density, and more on climate conditions, as well as the threshold for how wetland/upland was defined. In contrast, the merging of wetlands with streams was positively correlated with stream density, and inversely related to wetland density. Conclusions. Characterizing the degree of surface water connectivity within the Prairie Pothole Region in North America requires consideration of 1) climate-driven variation in wetness conditions and 2) within-region variation in wetland and stream spatial arrangements.

  15. Reassessment of MxiH subunit orientation and fold within native Shigella T3SS needles using surface labelling and solid-state NMR.

    Science.gov (United States)

    Verasdonck, Joeri; Shen, Da-Kang; Treadgold, Alexander; Arthur, Christopher; Böckmann, Anja; Meier, Beat H; Blocker, Ariel J

    2015-12-01

    T3SSs are essential virulence determinants of many Gram-negative bacteria, used to inject bacterial effectors of virulence into eukaryotic host cells. Their major extracellular portion, a ∼50 nm hollow, needle-like structure, is essential to host cell sensing and the conduit for effector secretion. It is formed of a small, conserved subunit arranged as a helical polymer. The structure of the subunit has been studied by electron cryomicroscopy within native polymers and by solid-state NMR in recombinant polymers, yielding two incompatible atomic models. To resolve this controversy, we re-examined the native polymer used for electron cryomicroscopy via surface labelling and solid-state NMR. Our data show the orientation and overall fold of the subunit within this polymer is as established by solid-state NMR for recombinant polymers. Copyright © 2015 The Authors. Published by Elsevier Inc. All rights reserved.

  16. Measurement of contact-angle hysteresis for droplets on nanopillared surface and in the Cassie and Wenzel states: a molecular dynamics simulation study.

    Science.gov (United States)

    Koishi, Takahiro; Yasuoka, Kenji; Fujikawa, Shigenori; Zeng, Xiao Cheng

    2011-09-27

    We perform large-scale molecular dynamics simulations to measure the contact-angle hysteresis for a nanodroplet of water placed on a nanopillared surface. The water droplet can be in either the Cassie state (droplet being on top of the nanopillared surface) or the Wenzel state (droplet being in contact with the bottom of nanopillar grooves). To measure the contact-angle hysteresis in a quantitative fashion, the molecular dynamics simulation is designed such that the number of water molecules in the droplets can be systematically varied, but the number of base nanopillars that are in direct contact with the droplets is fixed. We find that the contact-angle hysteresis for the droplet in the Cassie state is weaker than that in the Wenzel state. This conclusion is consistent with the experimental observation. We also test a different definition of the contact-a