WorldWideScience

Sample records for surface transit study

  1. Glass transition near the free surface studied by synchrotron radiation

    International Nuclear Information System (INIS)

    Sikorski, M.

    2008-06-01

    A comprehensive picture of the glass transition near the liquid/vapor interface of the model organic glass former dibutyl phthalate is presented in this work. Several surface-sensitive techniques using x-ray synchrotron radiation were applied to investigate the static and dynamic aspects of the formation of the glassy state from the supercooled liquid. The amorphous nature of dibutyl phthalate close to the free surface was confirmed by grazing incidence X-ray diffraction studies. Results from X-ray reflectivity measurements indicate a uniform electron density distribution close to the interface excluding the possibility of surface freezing down to 175 K. Dynamics on sub-μm length-scales at the surface was studied with coherent synchrotron radiation via x-ray photon correlation spectroscopy. From the analysis of the dispersion relation of the surface modes, viscoelastic properties of the dibutyl phthalate are deduced. The Kelvin-Voigt model of viscoelastic media was found to describe well the properties of the liquid/vapor interface below room temperature. The data show that the viscosity at the interface matches the values reported for bulk dibutyl phthalate. The scaled relaxation rate at the surface agrees with the bulk data above 210 K. Upon approaching the glass transition temperature the free surface was observed to relax considerably faster close to the liquid/vapor interface than in bulk. The concept of higher relaxation rate at the free surface is also supported by the results of the quasielastic nuclear forward scattering experiment, during which dynamics on molecular length scales around the calorimetric glass transition temperature is studied. The data were analyzed using mode-coupling theory of the glass transition and the model of the liquid(glass)/vapor interface, predicting inhomogeneous dynamics near the surface. The quasielastic nuclear forward scattering data can be explained when the molecular mobility is assumed to decrease with the increasing

  2. Glass transition near the free surface studied by synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Sikorski, M.

    2008-06-15

    A comprehensive picture of the glass transition near the liquid/vapor interface of the model organic glass former dibutyl phthalate is presented in this work. Several surface-sensitive techniques using x-ray synchrotron radiation were applied to investigate the static and dynamic aspects of the formation of the glassy state from the supercooled liquid. The amorphous nature of dibutyl phthalate close to the free surface was confirmed by grazing incidence X-ray diffraction studies. Results from X-ray reflectivity measurements indicate a uniform electron density distribution close to the interface excluding the possibility of surface freezing down to 175 K. Dynamics on sub-{mu}m length-scales at the surface was studied with coherent synchrotron radiation via x-ray photon correlation spectroscopy. From the analysis of the dispersion relation of the surface modes, viscoelastic properties of the dibutyl phthalate are deduced. The Kelvin-Voigt model of viscoelastic media was found to describe well the properties of the liquid/vapor interface below room temperature. The data show that the viscosity at the interface matches the values reported for bulk dibutyl phthalate. The scaled relaxation rate at the surface agrees with the bulk data above 210 K. Upon approaching the glass transition temperature the free surface was observed to relax considerably faster close to the liquid/vapor interface than in bulk. The concept of higher relaxation rate at the free surface is also supported by the results of the quasielastic nuclear forward scattering experiment, during which dynamics on molecular length scales around the calorimetric glass transition temperature is studied. The data were analyzed using mode-coupling theory of the glass transition and the model of the liquid(glass)/vapor interface, predicting inhomogeneous dynamics near the surface. The quasielastic nuclear forward scattering data can be explained when the molecular mobility is assumed to decrease with the increasing

  3. Coordination to transition metal surfaces : a theoretical study

    NARCIS (Netherlands)

    Santen, van R.A.

    1985-01-01

    A theoretical framework is developed that describes the chemisorption of CO to transition metal surfaces analogous to the HOMO-LUMO concept of MO theory. An explanation is given for the exptl. observation that CO adsorbs on top at the (111), face of Pt, but bridge at the (111) face of Ni. One is due

  4. Theoretical study of adsorption of organic phosphines on transition metal surfaces

    Science.gov (United States)

    Lou, Shujie; Jiang, Hong

    2018-04-01

    The adsorption properties of organic phosphines on transition metal (TM) surfaces (Fe, Co, Ni, Cu, Ru, Rh, Pd, Ag, Ir, Pt, and Au) have been studied to explore the possibility of building novel heterogeneous chiral catalytic systems based on organic phosphines. Preferred adsorption sites, adsorption energies and surface electronic structures of a selected set of typical organic phosphines adsorbed on TM surfaces are calculated with density-functional theory to obtain a systematic understanding on the nature of adsorption interactions. All organic phosphines considered are found to chemically adsorb on these TM surfaces with the atop site as the most preferred one, and the TM-P bond is formed via the lone-pair electrons of the P atom and the directly contacted TM atom. These findings imply that it is indeed possible to build heterogeneous chiral catalytic systems based on organic phosphines adsorbed on TM surfaces, which, however, requires a careful design of molecular structure of organic phosphines.

  5. First-principles study of hydrogen dissociation and diffusion on transition metal-doped Mg(0 0 0 1) surfaces

    International Nuclear Information System (INIS)

    Wang, Zhiwen; Guo, Xinjun; Wu, Mingyi; Sun, Qiang; Jia, Yu

    2014-01-01

    First-principles calculations within the density functional theory (DFT) have been carried out to study hydrogen molecules dissociation and diffusion on clean and transition metals (TMs) doped Mg(0 0 0 1) surfaces following Pozzo et al. work. Firstly, the stability of Mg(0 0 0 1) surface doped with transition metals atom has been studied. The results showed that transition metals on the left of the table tend to substitute Mg in the second layer, while the other transition metals prefer to substitute Mg in the first layer. Secondly, we studied hydrogen molecules dissociation and diffusion on clean and Mg(0 0 0 1) surfaces which the transition metal atoms substituted both in the first layer and second layer. When transition metal atoms substitute in the first layer, the results agree with the Pozzo et al. result; when transition metal atoms substitute in the second layer, the results showed that the transition metals on the left of the periodic table impact on the dissociation barriers is less. However, for the transition metals (Mn, Fe, Co, Ni) on the right, there is a great impact on the barriers. The transition metals doped surfaces bind the dissociated H atoms loosely, making them easily diffused. The results further reveal that the Fe dopant on the Mg surface is the best choice for H 2 dissociation and hydrogen storage.

  6. Experimental and theoretical study on transition boiling concerning downward-facing horizontal surface in confined space

    International Nuclear Information System (INIS)

    Zhao, D.W.; Su, G.H.; Tian, W.X.; Sugiyama, K.; Qiu, S.Z.

    2008-01-01

    Experimental study has been conducted to examine the pool boiling occurs on a relative large downward-facing round surface with a diameter of 300 mm in confined water pool at atmospheric pressure. An artificial neural network (ANN) has been trained successfully based on the experimental data for predicting Nusselt number of transition boiling in the present study. The input parameters of the ANN are wall superheat, ΔT w , the ratio of the gap size to the diameter of the heated surface, δ/D, Prandtl number and Rayleigh number. The output is Nusselt number, Nu. The results show that: Nu decreases with increasing ΔT w , and increases generally with an increase of δ/D. Nu increases with increasing Pr when gap size is smaller than 4.0 mm. And Nu decreases initially and then increases with increasing Pr as gap size bigger than 5.0 mm. The results also indicate that the influence of Grashof number, Gr, could be negligible. Finally, a new correlation was proposed to predict the transition boiling heat transfer under the present condition. The comparisons between the prediction of the new correlation and experimental data show a reasonable agreement

  7. Protein conformational transitions at the liquid-gas interface as studied by dilational surface rheology.

    Science.gov (United States)

    Noskov, Boris A

    2014-04-01

    Experimental results on the dynamic dilational surface elasticity of protein solutions are analyzed and compared. Short reviews of the protein behavior at the liquid-gas interface and the dilational surface rheology precede the main sections of this work. The kinetic dependencies of the surface elasticity differ strongly for the solutions of globular and non-globular proteins. In the latter case these dependencies are similar to those for solutions of non-ionic amphiphilic polymers and have local maxima corresponding to the formation of the distal region of the surface layer (type I). In the former case the dynamic surface elasticity is much higher (>60 mN/m) and the kinetic dependencies are monotonical and similar to the data for aqueous dispersions of solid nanoparticles (type II). The addition of strong denaturants to solutions of bovine serum albumin and β-lactoglobulin results in an abrupt transition from the type II to type I dependencies if the denaturant concentration exceeds a certain critical value. These results give a strong argument in favor of the preservation of the protein globular structure in the course of adsorption without any denaturants. The addition of cationic surfactants also can lead to the non-monotonical kinetic dependencies of the dynamic surface elasticity indicating destruction of the protein tertiary and secondary structures. The addition of anionic surfactants gives similar results only for the protein solutions of high ionic strength. The influence of cationic surfactants on the local maxima of the kinetic dependencies of the dynamic surface elasticity for solutions of a non-globular protein (β-casein) differs from the influence of anionic surfactants due to the heterogeneity of the charge distribution along the protein chain. In this case one can use small admixtures of ionic surfactants as probes of the adsorption mechanism. The effect of polyelectrolytes on the kinetic dependencies of the dynamic surface elasticity of protein

  8. Adsorption behavior of sulfur-containing amino acid molecule on transition metal surface studied by S K-edge NEXAFS

    International Nuclear Information System (INIS)

    Yagi, S.; Matsumura, K.; Nakano, Y.; Ikenaga, E.; Sardar, S.A.; Syed, J.A.; Soda, K.; Hashimoto, E.; Tanaka, K.; Taniguchi, M.

    2003-01-01

    Adsorption behavior of a sulfur-containing amino acid L-cysteine molecule on transition metal surface have been investigated by S K-edge near-edge X-ray absorption fine structure. The L-cysteine molecule for first adsorption layer was found to dissociate on polycrystalline nickel surface, whereas molecularly adsorbed on copper surface at room temperature. Most of the L-cysteine molecules have been dissociated on nickel surface in annealing condition up to 353 K. On the other hand, the L-cysteine molecule did not dissociate on copper surface and the elongation of the S-C bonding occurred at 353 K

  9. Study of the mobility, surface area, and sintering behavior of agglomerates in the transition regime by tandem differential mobility analysis

    International Nuclear Information System (INIS)

    Cho, Kuk; Hogan, Christopher J.; Biswas, Pratim

    2007-01-01

    The surface area of nanosized agglomerates is of great importance as the reactivity and health effects of such particles are highly dependent on surface area. Changes in surface area through sintering during nanoparticle synthesis processes are also of interest for precision control of synthesised particles. Unfortunately, information on particle surface area and surface area dynamics is not readily obtainable through traditional particle mobility sizing techniques. In this study, we have experimentally determined the mobility diameter of transition regime agglomerates with 3, 4, and 5 primary particles. Agglomerates were produced by spray drying well-characterised polystyrene latex particles with diameters of 55, 67, 76, and 99 nm. Tandem differential mobility analysis was used to determine agglomerate mobility diameter by selecting monodisperse agglomerates with the same number of primary particles in the first DMA, and subsequently completely sintering the agglomerates in a furnace aerosol reactor. The size distribution of the completely sintered particles was measured by an SMPS system, which allowed for the determination of the number of primary particles in the agglomerates. A simple power law regression was used to express mobility diameter as a function of primary particle size and the number of primary particles, and had an excellent correlation (R 2 = 0.9971) with the experimental data. A scaling exponent was determined from the experimental data to relate measured mobility diameter to surface area for agglomerates. Using this relationship, the sintering characteristics of agglomerates were also examined for varying furnace temperatures and residence times. The sintering data agreed well with the geometric sintering model (GSM) model proposed by Cho and Biswas (2006a) as well as with the model proposed Koch and Friedlander (1990) for sintering by viscous flow

  10. The additional phase transition of DPPC monolayers at high surface pressure confirmed by GIXD study

    DEFF Research Database (Denmark)

    Shen, Chen; Serna, Jorge B. de la; Struth, Bernd

    Pulmonary surfactant forms the alveolar monolayer at the air/aqueous interface within the lung. During the breathing process, the surface pressure periodically varies from ~40mN/m up to ~70mN/m. The film is mechanically stable during this rapid and reversible expansion. The monolayer consists...... of the alveolae monolayer and at the same time allows reduction of the interfacial tension to ~0mN/m....

  11. Density functional theory study of elemental mercury adsorption on boron doped graphene surface decorated by transition metals

    Energy Technology Data Exchange (ETDEWEB)

    Jungsuttiwong, Siriporn, E-mail: siriporn.j@ubu.ac.th [Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Ubon Ratchathani University, Ubon Ratchathani 34190 (Thailand); Wongnongwa, Yutthana [Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Ubon Ratchathani University, Ubon Ratchathani 34190 (Thailand); Namuangruk, Supawadee [National Nanotechnology Center (NANOTEC), National Science and Technology Development Agency (NSTDA), Klong Luang, Pathum Thani 12120 (Thailand); Kungwan, Nawee [Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Promarak, Vinich [Department of Material Science and Engineering, School of Molecular Science and Engineering, Vidyasirimedhi Institute of Science and Technology, Rayong 21210 (Thailand); Kunaseth, Manaschai, E-mail: manaschai@nanotec.or.th [National Nanotechnology Center (NANOTEC), National Science and Technology Development Agency (NSTDA), Klong Luang, Pathum Thani 12120 (Thailand)

    2016-01-30

    Graphical abstract: Decoration of Pd{sub 4}-A (square planar) on B-doped graphene significantly promotes Hg{sup 0} adsorption, a single site of Pd{sub 4} cluster on BDG could strongly adsorb up to six Hg atoms. - Highlights: • Transition metal atom and cluster binds strongly on B-doped graphene surface. • Decoration of transition metal on B-doped graphene significantly promotes Hg{sup 0} adsorption. • Adsorption strength of Hg{sup 0} atom on metal decorated B-doped graphene: Pd > Pt > Ru > W > Cu. • One site decorated Pd4 cluster adsorbed Hg{sup 0} strongly up to six atoms.

  12. First-Principles Study on the Adsorption Properties of Transition-Metal Atoms on CaO(001) Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Byung Deok [University of Seoul, Seoul (Korea, Republic of); Jang, Young-Rok [Incheon National University, Incheon (Korea, Republic of)

    2017-03-15

    By using first-principles electronic-structure calculations based on the density functional theory, we systematically investigated the adsorption properties of transition-metal (TM) adatoms on CaO(001) surfaces. Optimized adsorption structures and energetics of TM adatoms on CaO(001) are reported for various adsorption structures. The results are different from those of TM adatoms on MgO(001). Concomitantly, this suggests different dynamical properties of TM adatoms on CaO(001) surfaces as compared with TM adatoms on MgO(001) surfaces. Also performed was an analysis of the electronic structures of the TM adatoms on CaO(001) by using the energy positions of the adsorbate states with respect to the valence band maximum of CaO. The results are discussed in connection with the charge states of the TM adatoms on doped CaO(001).

  13. Photocatalysis of Modified Transition Metal Oxide Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Batzill, Matthias [Univ. of South Florida, Tampa, FL (United States). Dept. of Physics

    2018-02-28

    The goal of this project has been to establish a cause-effect relationship for photocatalytic activity variations of different structures of the same material; and furthermore gain fundamental understanding on modification of photocatalysts by compositional or surface modifications. The reasoning is that gaining atomic scale understanding of how surface and bulk modifications alter the photo reactivity will lead to design principles for next generation photocatalysts. As a prototypical photocatalyst the research focused on TiO2 synthesized in well-defined single crystalline form to enable fundamental characterizations.We have obtained results in the following areas: (a) Preparation of epitaxial anatase TiO2 samples by pulsed laser deposition. (b) Comparison of hydrogen diffusion on different crystallographic surface. (c) Determining the stability of the TiO2(011)-2x1 reconstruction upon interactions with adsorbates. (d) Characterization of adsorption and (thermal and photo) reaction of molecules with nitro-endgroups, (e) Exploring the possibility of modifying planar model photocatalyst surfaces with graphene to enable fundamental studies on reported enhanced photocatalytic activities of graphene modified transition metal oxides, (f) gained fundamental understanding on the role of crystallographic polymorphs of the same material for their photocatalytic activities.

  14. Towards predictive models for transitionally rough surfaces

    Science.gov (United States)

    Abderrahaman-Elena, Nabil; Garcia-Mayoral, Ricardo

    2017-11-01

    We analyze and model the previously presented decomposition for flow variables in DNS of turbulence over transitionally rough surfaces. The flow is decomposed into two contributions: one produced by the overlying turbulence, which has no footprint of the surface texture, and one induced by the roughness, which is essentially the time-averaged flow around the surface obstacles, but modulated in amplitude by the first component. The roughness-induced component closely resembles the laminar steady flow around the roughness elements at the same non-dimensional roughness size. For small - yet transitionally rough - textures, the roughness-free component is essentially the same as over a smooth wall. Based on these findings, we propose predictive models for the onset of the transitionally rough regime. Project supported by the Engineering and Physical Sciences Research Council (EPSRC).

  15. Methanol Oxidation on Model Elemental and Bimetallic Transition Metal Surfaces

    DEFF Research Database (Denmark)

    Tritsaris, G. A.; Rossmeisl, J.

    2012-01-01

    Direct methanol fuel cells are a key enabling technology for clean energy conversion. Using density functional theory calculations, we study the methanol oxidation reaction on model electrodes. We discuss trends in reactivity for a set of monometallic and bimetallic transition metal surfaces, flat...... sites on the surface and to screen for novel bimetallic surfaces of enhanced activity. We suggest platinum copper surfaces as promising anode catalysts for direct methanol fuel cells....

  16. An atomic force microscopy study on the transition from mushrooms to octopus surface ''micelles'' by changing the solvent quality

    NARCIS (Netherlands)

    Stamouli, A.; Pelletier, E.; Koutsos, V; van der Vegte, E.W.; Hadziioannou, G

    1996-01-01

    Atomic force microscopy (AFM) is used to study the behavior of a diblock copolymer onto a solid surface while the solvent quality is changed. In a first step, the copolymer poly(2-vinylpyridine)/polystyrene (P2VP/PS) is adsorbed onto mica from a selective solvent (the PS block is well solvated and

  17. Wettability transition of laser textured brass surfaces inside different mediums

    Science.gov (United States)

    Yan, Huangping; Abdul Rashid, Mohamed Raiz B.; Khew, Si Ying; Li, Fengping; Hong, Minghui

    2018-01-01

    Hydrophobic surface on brass has attracted intensive attention owing to its importance in scientific research and practical applications. Laser texturing provides a simple and promising method to achieve it. Reducing wettability transition time from hydrophilicity to hydrophobicity or superhydrophobicity remains a challenge. Herein, wettability transition of brass surfaces with hybrid micro/nano-structures fabricated by laser texturing was investigated by immersing the samples inside different mediums. Scanning electron microscopy, energy-dispersive X-ray analysis, X-ray photoelectron spectroscopy and surface contact angle measurement were employed to characterize surface morphology, chemical composition and wettability of the fabricated surfaces of brass samples. Wettability transition time from hydrophilicity to hydrophobicity was shortened by immersion into isopropyl alcohol for a period of 3 h as a result of the absorption and accumulation of organic substances on the textured brass surface. When the textured brass sample was immersed into sodium bicarbonate solution, flower-like structures on the sample surface played a key role in slowing down wettability transition. Moreover, it had the smallest steady state contact angle as compared to the others. This study provides a facile method to construct textured surfaces with tunable wetting behaviors and effectively extend the industrial applications of brass.

  18. Vibrational spectroscopic study of pH dependent solvation at a Ge(100)-water interface during an electrode potential triggered surface termination transition

    Science.gov (United States)

    Niu, Fang; Rabe, Martin; Nayak, Simantini; Erbe, Andreas

    2018-06-01

    The charge-dependent structure of interfacial water at the n-Ge(100)-aqueous perchlorate interface was studied by controlling the electrode potential. Specifically, a joint attenuated total reflection infrared spectroscopy and electrochemical experiment was used in 0.1M NaClO4 at pH ≈ 1-10. The germanium surface transformation to an H-terminated surface followed the thermodynamic Nernstian pH dependence and was observed throughout the entire pH range. A singular value decomposition-based spectra deconvolution technique coupled to a sigmoidal transition model for the potential dependence of the main components in the spectra shows the surface transformation to be a two-stage process. The first stage was observed together with the first appearance of Ge-H stretching modes in the spectra and is attributed to the formation of a mixed surface termination. This transition was reversible. The second stage occurs at potentials ≈0.1-0.3 V negative of the first one, shows a hysteresis in potential, and is attributed to the formation of a surface with maximum Ge-H coverage. During the surface transformation, the surface becomes hydrophobic, and an effective desolvation layer, a "hydrophobic gap," developed with a thickness ≈1-3 Å. The largest thickness was observed near neutral pH. Interfacial water IR spectra show a loss of strongly hydrogen-bound water molecules compared to bulk water after the surface transformation, and the appearance of "free," non-hydrogen bound OH groups, throughout the entire pH range. Near neutral pH at negative electrode potentials, large changes at wavenumbers below 1000 cm-1 were observed. Librational modes of water contribute to the observed changes, indicating large changes in the water structure.

  19. Structure, Mobility, and Composition of Transition Metal Catalyst Surfaces. High-Pressure Scanning Tunneling Microscopy and Ambient-Pressure X-ray Photoelectron Spectroscopy Studies

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Zhongwei [Univ. of California, Berkeley, CA (United States)

    2013-12-06

    Surface structure, mobility, and composition of transition metal catalysts were studied by high-pressure scanning tunneling microscopy (HP-STM) and ambient-pressure X-ray photoelectron spectroscopy (AP-XPS) at high gas pressures. HP-STM makes it possible to determine the atomic or molecular rearrangement at catalyst surfaces, particularly at the low-coordinated active surface sites. AP-XPS monitors changes in elemental composition and chemical states of catalysts in response to variations in gas environments. Stepped Pt and Cu single crystals, the hexagonally reconstructed Pt(100) single crystal, and Pt-based bimetallic nanoparticles with controlled size, shape and composition, were employed as the model catalysts for experiments in this thesis.

  20. Simplified Approach to Predicting Rough Surface Transition

    Science.gov (United States)

    Boyle, Robert J.; Stripf, Matthias

    2009-01-01

    Turbine vane heat transfer predictions are given for smooth and rough vanes where the experimental data show transition moving forward on the vane as the surface roughness physical height increases. Consiste nt with smooth vane heat transfer, the transition moves forward for a fixed roughness height as the Reynolds number increases. Comparison s are presented with published experimental data. Some of the data ar e for a regular roughness geometry with a range of roughness heights, Reynolds numbers, and inlet turbulence intensities. The approach ta ken in this analysis is to treat the roughness in a statistical sense , consistent with what would be obtained from blades measured after e xposure to actual engine environments. An approach is given to determ ine the equivalent sand grain roughness from the statistics of the re gular geometry. This approach is guided by the experimental data. A roughness transition criterion is developed, and comparisons are made with experimental data over the entire range of experimental test co nditions. Additional comparisons are made with experimental heat tran sfer data, where the roughness geometries are both regular as well a s statistical. Using the developed analysis, heat transfer calculatio ns are presented for the second stage vane of a high pressure turbine at hypothetical engine conditions.

  1. Surface correlations of hydrodynamic drag for transitionally rough engineering surfaces

    Science.gov (United States)

    Thakkar, Manan; Busse, Angela; Sandham, Neil

    2017-02-01

    Rough surfaces are usually characterised by a single equivalent sand-grain roughness height scale that typically needs to be determined from laboratory experiments. Recently, this method has been complemented by a direct numerical simulation approach, whereby representative surfaces can be scanned and the roughness effects computed over a range of Reynolds number. This development raises the prospect over the coming years of having enough data for different types of rough surfaces to be able to relate surface characteristics to roughness effects, such as the roughness function that quantifies the downward displacement of the logarithmic law of the wall. In the present contribution, we use simulation data for 17 irregular surfaces at the same friction Reynolds number, for which they are in the transitionally rough regime. All surfaces are scaled to the same physical roughness height. Mean streamwise velocity profiles show a wide range of roughness function values, while the velocity defect profiles show a good collapse. Profile peaks of the turbulent kinetic energy also vary depending on the surface. We then consider which surface properties are important and how new properties can be incorporated into an empirical model, the accuracy of which can then be tested. Optimised models with several roughness parameters are systematically developed for the roughness function and profile peak turbulent kinetic energy. In determining the roughness function, besides the known parameters of solidity (or frontal area ratio) and skewness, it is shown that the streamwise correlation length and the root-mean-square roughness height are also significant. The peak turbulent kinetic energy is determined by the skewness and root-mean-square roughness height, along with the mean forward-facing surface angle and spanwise effective slope. The results suggest feasibility of relating rough-wall flow properties (throughout the range from hydrodynamically smooth to fully rough) to surface

  2. Phase transitions and adsorbate restructuring at metal surface

    CERN Document Server

    King, DA

    1994-01-01

    The objective in initiating this series in 1980 was to provide an in-depth review of advances made in the understanding key aspects of surface chemistry and physics through the application of new techniques to the study of well-defined surfaces. Since then the field of surface science has greatly matured, and further important techniques, particularly scanning probe microscopies, have been successfully assimilated into the applications armoury of the surface scientist. The present volume is a series of timely reviews by many of the current experts in the field of phase transitions an

  3. Electronic transitions and band offsets in C60:SubPc and C60:MgPc on MoO3 studied by modulated surface photovoltage spectroscopy

    International Nuclear Information System (INIS)

    Fengler, S.; Dittrich, Th.; Rusu, M.

    2015-01-01

    Electronic transitions at interfaces between MoO 3 layers and organic layers of C 60 , SubPc, MgPc, and nano-composite layers of SubPc:C 60 and MgPc:C 60 have been studied by modulated surface photovoltage (SPV) spectroscopy. For all systems, time dependent and modulated SPV signals pointed to dissociation of excitons at the MoO 3 /organic layer interfaces with a separation of holes towards MoO 3 . The highest occupied molecular orbital (HOMO)-lowest unoccupied molecular orbital (LUMO) gaps (E HL ) of C 60 , SubPc, and MgPc and the effective E HL of SubPc:C 60 and MgPc:C 60 were measured. The offsets between the LUMO (ΔE L ) or HOMO (ΔE H ) bands were obtained with high precision and amounted to 0.33 or 0.73 eV for SubPc:C 60 , respectively, and to −0.33 or 0.67 eV for MgPc:C 60 , respectively. Exponential tails below E HL and most pronounced sub-bandgap transitions were characterized and ascribed to disorder and transitions from HOMO bands to unoccupied defect states

  4. Theoretical studies for the N2–N2O van der Waals complex: The potential energy surface, intermolecular vibrations, and rotational transition frequencies

    International Nuclear Information System (INIS)

    Zheng, Rui; Zheng, Limin; Yang, Minghui; Lu, Yunpeng

    2015-01-01

    Theoretical studies of the potential energy surface (PES) and bound states are performed for the N 2 –N 2 O van der Waals (vdW) complex. A four-dimensional intermolecular PES is constructed at the level of single and double excitation coupled-cluster method with a non-iterative perturbation treatment of triple excitations [CCSD(T)] with aug-cc-pVTZ basis set supplemented with bond functions. Two equivalent T-shaped global minima are located, in which the O atom of N 2 O monomer is near the N 2 monomer. The intermolecular fundamental vibrational states are assigned by inspecting the orientation of the nodal surface of the wavefunctions. The calculated frequency for intermolecular disrotation mode is 23.086 cm −1 , which is in good agreement with the available experimental data of 22.334 cm −1 . A negligible tunneling splitting with the value of 4.2 MHz is determined for the ground vibrational state and the tunneling splitting increases as the increment of the vibrational frequencies. Rotational levels and transition frequencies are calculated for both isotopomers 14 N 2 –N 2 O and 15 N 2 –N 2 O. The accuracy of the PES is validated by the good agreement between theoretical and experimental results for the transition frequencies and spectroscopic parameters

  5. Determination of Surface Properties of Liquid Transition Metals

    International Nuclear Information System (INIS)

    Korkmaz, S. D.

    2008-01-01

    Certain surface properties of liquid simple metals are reported. Using the expression derived by Gosh and coworkers we investigated the surface entropy of liquid transition metals namely Fe, Co and Ni. We have also computed surface tensions of the metals concerned. The pair distribution functions are calculated from the solution of Ornstein-Zernike integral equation with Rogers-Young closure using the individual version of the electron-ion potential proposed by Fioalhais and coworkers which was originally developed for solid state. The predicted values of surface tension and surface entropy are in very good agreement with available experimental data. The present study results show that the expression derived by Gosh and coworkers is very useful for the surface entropy by using Fioalhais pseudopotential and Rogers-Young closure

  6. Atomic and molecular adsorption on transition-metal carbide (111) surfaces from density-functional theory: a trend study of surface electronic factors

    DEFF Research Database (Denmark)

    Vojvodic, Aleksandra; Ruberto, C.; Lundqvist, Bengt

    2010-01-01

    ) surfaces. The spatial extent and the dangling bond nature of these SRs are supported by real-space analyses of the calculated Kohn-Sham wavefunctions. Then, atomic and molecular adsorption energies, geometries, and charge transfers are presented. An analysis of the adsorbate-induced changes in surface DOSs...

  7. Formation of transition metal cluster adducts on the surface of single-walled carbon nanotubes: HRTEM studies

    KAUST Repository

    Kalinina, Irina V.

    2014-01-01

    We report the formation of chromium clusters on the outer walls of single-walled carbon nanotubes (SWNTs). The clusters were obtained by reacting purified SWNTs with chromium hexacarbonyl in dibutyl ether at 100°C. The functionalized SWNTs were characterized by thermogravimetic analysis, XPS, and high-resolution TEM. The curvature of the SWNTs and the high mobility of the chromium moieties on graphitic surfaces allow the growth of the metal clusters and we propose a mechanism for their formation. © 2014 Taylor and Francis Group, LLC.

  8. Phase transitions of ferromagnetic Ising films with amorphous surfaces

    International Nuclear Information System (INIS)

    Saber, M.; Ainane, A.; Dujardin, F.; Stebe, B.

    1997-08-01

    The critical behavior of a ferromagnetic Ising film with amorphous surfaces is studied within the framework of the effective field theory. The dependence of the critical temperature on exchange interaction strength ratio, film thickness, and structural fluctuation parameter is presented. It is found that an order-disorder magnetic transition occurs by varying the thickness of the film. Such a result is in agreement with experiments performed recently on Fe-films. (author). 39 refs, 4 figs

  9. Water and Ethanol Droplet Wetting Transition during Evaporation on Omniphobic Surfaces

    Science.gov (United States)

    Chen, Xuemei; Weibel, Justin A.; Garimella, Suresh V.

    2015-01-01

    Omniphobic surfaces with reentrant microstructures have been investigated for a range of applications, but the evaporation of high- and low-surface-tension liquid droplets placed on such surfaces has not been rigorously studied. In this work, we develop a technique to fabricate omniphobic surfaces on copper substrates to allow for a systematic examination of the effects of surface topography on the evaporation dynamics of water and ethanol droplets. Compared to a water droplet, the ethanol droplet not only evaporates faster, but also inhibits Cassie-to-Wenzel wetting transitions on surfaces with certain geometries. We use an interfacial energy-based description of the system, including the transition energy barrier and triple line energy, to explain the underlying transition mechanism and behaviour observed. Suppression of the wetting transition during evaporation of droplets provides an important metric for evaluating the robustness of omniphobic surfaces requiring such functionality. PMID:26603940

  10. American Studies in Transition

    DEFF Research Database (Denmark)

    Nye, David

    Papers first given at a conference the previous year in Fåborg, Denmark, with a dual focus on 20th century America and new methods in American Studies.......Papers first given at a conference the previous year in Fåborg, Denmark, with a dual focus on 20th century America and new methods in American Studies....

  11. Surface segregation energies in transition-metal alloys

    DEFF Research Database (Denmark)

    Ruban, Andrei; Skriver, Hans Lomholt; Nørskov, Jens Kehlet

    1999-01-01

    We present a database of 24 x 24 surface segregation energies of single transition metal impurities in transition-metal hosts obtained by a Green's-function linear-muffin-tin-orbitals method in conjunction with the coherent potential and atomic sphere approximations including a multipole correction...... to the electrostatic potential and energy. We use the database to establish the major factors which govern surface segregation in transition metal alloys. We find that the calculated trends are well described by Friedel's rectangular state density model and that the few but significant deviations from the simple...

  12. Surface phase transitions in cu-based solid solutions

    Science.gov (United States)

    Zhevnenko, S. N.; Chernyshikhin, S. V.

    2017-11-01

    We have measured surface energy in two-component Cu-based systems in H2 + Ar gas atmosphere. The experiments on solid Cu [Ag] and Cu [Co] solutions show presence of phase transitions on the surfaces. Isotherms of the surface energy have singularities (the minimum in the case of copper solid solutions with silver and the maximum in the case of solid solutions with cobalt). In both cases, the surface phase transitions cause deficiency of surface miscibility: formation of a monolayer (multilayer) (Cu-Ag) or of nanoscale particles (Cu-Co). At the same time, according to the volume phase diagrams, the concentration and temperature of the surface phase transitions correspond to the solid solution within the volume. The method permits determining the rate of diffusional creep in addition to the surface energy. The temperature and concentration dependence of the solid solutions' viscosity coefficient supports the fact of the surface phase transitions and provides insights into the diffusion properties of the transforming surfaces.

  13. Dilution in Transition Zone between Rising Plumes and Surface Plumes

    DEFF Research Database (Denmark)

    Larsen, Torben

    2004-01-01

    The papers presents some physical experiments with the dilution of sea outfall plumes with emphasize on the transition zone where the relative fast flowing vertical plume turns to a horizontal surface plume following the slow sea surface currents. The experiments show that a considerable dilution...

  14. Direct NO decomposition over stepped transition-metal surfaces

    DEFF Research Database (Denmark)

    Falsig, Hanne; Bligaard, Thomas; Christensen, Claus H.

    2007-01-01

    We establish the full potential energy diagram for the direct NO decomposition reaction over stepped transition-metal surfaces by combining a database of adsorption energies on stepped metal surfaces with known Bronsted-Evans-Polanyi (BEP) relations for the activation barriers of dissociation...

  15. Gastrointestinal transit and reflux studies

    International Nuclear Information System (INIS)

    Greenspan, R.L.; Kochan, J.

    1988-01-01

    Current imaging modalities such as magnetic resonance imaging and computed tomography provide anatomic resolution far beyond that achievable with the current methods of scintigraphic imaging. Consequently, the strength of nuclear medicine has shifted and now lies in its ability to provide physiologic data noninvasively and simply. This ability is well illustrated by the scintigraphic techniques developed for evaluation of the alimentary tract. Studies of esophageal transit, gastroesophageal reflux, and gastric emptying are now widely available. Evaluation of small and large intestinal transit have also been investigated. These techniques are discussed in the present chapter

  16. Sebum/Meibum Surface Film Interactions and Phase Transitional Differences.

    Science.gov (United States)

    Mudgil, Poonam; Borchman, Douglas; Gerlach, Dylan; Yappert, Marta C

    2016-05-01

    Sebum may contribute to the composition of the tear film lipid layer naturally or as a contaminant artifact from collection. The aims of this study were to determine: if sebum changes the rheology of meibum surface films; if the resonance near 5.2 ppm in the 1H-NMR spectra of sebum is due to squalene (SQ); and if sebum or SQ, a major component of sebum, interacts with human meibum. Human meibum was collected from the lid margin with a platinum spatula. Human sebum was collected using lipid absorbent tape. Langmuir trough technology was used to measure the rheology of surface films. Infrared spectroscopy was used to measure lipid conformation and phase transitions. We used 1H-NMR to measure composition and confirm the primary structure of SQ. The NMR resonance near 5.2 ppm in the spectra of human sebum was from SQ which composed 28 mole percent of sebum. Both sebum and SQ lowered the lipid order of meibum. Sebum expanded meibum films at lower concentrations and condensed meibum films at higher concentrations. Sebum caused meibum to be more stable at higher pressures (greater maximum surface pressure). Physiological levels of sebum would be expected to expand or fluidize meibum making it spread better and be more surface active (qualities beneficial for tear film stability). Sebum would also be expected to stabilize the tear film lipid layer, which may allow it to withstand the high shear pressure of a blink.

  17. Sebum/Meibum Surface Film Interactions and Phase Transitional Differences

    Science.gov (United States)

    Mudgil, Poonam; Borchman, Douglas; Gerlach, Dylan; Yappert, Marta C.

    2016-01-01

    Purpose Sebum may contribute to the composition of the tear film lipid layer naturally or as a contaminant artifact from collection. The aims of this study were to determine: if sebum changes the rheology of meibum surface films; if the resonance near 5.2 ppm in the 1H-NMR spectra of sebum is due to squalene (SQ); and if sebum or SQ, a major component of sebum, interacts with human meibum. Methods Human meibum was collected from the lid margin with a platinum spatula. Human sebum was collected using lipid absorbent tape. Langmuir trough technology was used to measure the rheology of surface films. Infrared spectroscopy was used to measure lipid conformation and phase transitions. We used 1H-NMR to measure composition and confirm the primary structure of SQ. Results The NMR resonance near 5.2 ppm in the spectra of human sebum was from SQ which composed 28 mole percent of sebum. Both sebum and SQ lowered the lipid order of meibum. Sebum expanded meibum films at lower concentrations and condensed meibum films at higher concentrations. Sebum caused meibum to be more stable at higher pressures (greater maximum surface pressure). Conclusions Physiological levels of sebum would be expected to expand or fluidize meibum making it spread better and be more surface active (qualities beneficial for tear film stability). Sebum would also be expected to stabilize the tear film lipid layer, which may allow it to withstand the high shear pressure of a blink. PMID:27145473

  18. Trends in catalytic NO decomposition over transition metal surfaces

    DEFF Research Database (Denmark)

    Falsig, Hanne; Bligaard, Thomas; Rass-Hansen, Jeppe

    2007-01-01

    The formation of NOx from combustion of fossil and renewable fuels continues to be a dominant environmental issue. We take one step towards rationalizing trends in catalytic activity of transition metal catalysts for NO decomposition by combining microkinetic modelling with density functional...... theory calculations. We show specifically why the key problem in using transition metal surfaces to catalyze direct NO decomposition is their significant relative overbinding of atomic oxygen compared to atomic nitrogen....

  19. Temperature Dependence of Arn+ Cluster Backscattering from Polymer Surfaces: a New Method to Determine the Surface Glass Transition Temperature.

    Science.gov (United States)

    Poleunis, Claude; Cristaudo, Vanina; Delcorte, Arnaud

    2018-01-01

    In this work, time-of-flight secondary ion mass spectrometry (ToF-SIMS) was used to study the intensity variations of the backscattered Ar n + clusters as a function of temperature for several amorphous polymer surfaces (polyolefins, polystyrene, and polymethyl methacrylate). For all these investigated polymers, our results show a transition of the ratio Ar 2 + /(Ar 2 + + Ar 3 + ) when the temperature is scanned from -120 °C to +125 °C (the exact limits depend on the studied polymer). This transition generally spans over a few tens of degrees and the temperature of the inflection point of each curve is always lower than the bulk glass transition temperature (T g ) reported for the considered polymer. Due to the surface sensitivity of the cluster backscattering process (several nanometers), the presented analysis could provide a new method to specifically evaluate a surface transition temperature of polymers, with the same lateral resolution as the gas cluster beam. Graphical abstract ᅟ.

  20. Surface effects on magnetic Freedericksz transition in ferronematics with soft particle anchoring

    International Nuclear Information System (INIS)

    Bena, R.-E.; Petrescu, Emil

    2003-01-01

    The magnetic field-induced Freedericksz transition in a homeotropically aligned ferronematic (FN) in the case of weak anchoring molecules to the walls is studied. A correction to the Burylov-Raikher expression for the second-order transition threshold field is found. The possibility of a first-order transition is discussed in connection with the similar results for nematic liquid crystals. The saturation magnetic field is also obtained in terms of FN, surface and device parameters

  1. Effect of the roughening transition on the vicinal surface in the step droplet zone

    Science.gov (United States)

    Akutsu, Noriko

    2017-06-01

    For vicinal surfaces around the (001) surface inclined towards the 〈 111 〉 direction, the influence of roughening transitions on the surface tension and on step droplets is studied numerically. The surface tension is calculated using a restricted solid-on-solid model with a point-contact type step-step attraction (p-RSOS model) on a square lattice. To ensure the reliability of the calculations, the density matrix renormalization group method is used. The growth rate of the vicinal surface near equilibrium is also calculated by the Monte Carlo method. It is found that the roughening transition changes the morphology around the (001) surface, and the roughening transition affects the size of locally merged steps (step droplets).

  2. Hot Electron Photoemission from Plasmonic Nanostructures: The Role of Surface Photoemission and Transition Absorption

    DEFF Research Database (Denmark)

    Babicheva, Viktoriia; Zhukovsky, Sergei; Ikhsanov, Renat Sh

    2015-01-01

    We study mechanisms of photoemission of hot electrons from plasmonic nanoparticles. We analyze the contribution of "transition absorption", i.e., loss of energy of electrons passing through the boundary between different materials, to the surface mechanism of photoemission. We calculate photoemis......We study mechanisms of photoemission of hot electrons from plasmonic nanoparticles. We analyze the contribution of "transition absorption", i.e., loss of energy of electrons passing through the boundary between different materials, to the surface mechanism of photoemission. We calculate...... photoemission rate and transition absorption for nanoparticles surrounded by various media with a broad range of permittivities and show that photoemission rate and transition absorption follow the same dependence on the permittivity. Thus, we conclude that transition absorption is responsible...

  3. Computational study of heat transfer from the inner surface of a circular tube to force high temperature liquid metal flow in laminar and transition regions

    Science.gov (United States)

    Hata, K.; Fukuda, K.; Masuzaki, S.

    2018-03-01

    Heat transfer through forced convection from the inner surface of a circular tube to force the flow of liquid sodium in the laminar and transition regions were numerically analysed for two types of tube geometries (concentric annular and circular tubes) and two types of equivalent diameters (hydraulic and thermal equivalent diameters). The unsteady laminar three-dimensional basic equations for forced convection heat transfer caused by a step heat flux were numerically solved until a steady state is attained. The code of the parabolic hyperbolic or elliptic numerical integration code series (PHOENICS) was used for calculations by considering relevant temperature dependent thermo-physical properties. The concentric annular tube has a test tube with inner and outer diameters of 7.6 and 14.3 mm, respectively, has a heated length of 52 mm, and an L/d of 6.84. The two circular tubes have inner diameters of 6.7 and 19.3 mm with L/d of 7.76 and 2.69, respectively, and a heated length of 52 mm. The inlet liquid temperature, inlet liquid velocity, and surface heat flux were equally set for each test tube as T in ≅573 to 585 K, u in = 0.0852 to 1 m/s, and q = 2×105 to 2.5×106 W/m2, respectively. The increase in temperature from the leading edge of the heated section to the outlet of the circular tubes (with a hydraulic diameter of d H = 6.7 mm and a thermal equivalent diameter d te = 19.3 mm) was approximately 2.70 and 1.21 times as large as the corresponding values of the concentric annular tube with an inner diameter of 7.6 mm and an outer diameter of 14.3 mm, respectively. A quantity in the laminar and transition regions was suggested as the dominant variable involved in the forced convection heat transfer in the circular tube. The values of the local and average Nusselt numbers, Nu z and Nu av , respectively, for a concentric annular tube with d H = 6.7 mm and for a circular tube with d H = 6.7 mm were calculated to examine the effects of q, T in , and Pe on heat

  4. Cohesion and coordination effects on transition metal surface energies

    Science.gov (United States)

    Ruvireta, Judit; Vega, Lorena; Viñes, Francesc

    2017-10-01

    Here we explore the accuracy of Stefan equation and broken-bond model semiempirical approaches to obtain surface energies on transition metals. Cohesive factors are accounted for either via the vaporization enthalpies, as proposed in Stefan equation, or via cohesive energies, as employed in the broken-bond model. Coordination effects are considered including the saturation degree, as suggested in Stefan equation, employing Coordination Numbers (CN), or as the ratio of broken bonds, according to the bond-cutting model, considering as well the square root dependency of the bond strength on CN. Further, generalized coordination numbers CN bar are contemplated as well, exploring a total number of 12 semiempirical formulations on the three most densely packed surfaces of 3d, 4d, and 5d Transition Metals (TMs) displaying face-centered cubic (fcc), body-centered cubic (bcc), or hexagonal close-packed (hcp) crystallographic structures. Estimates are compared to available experimental surface energies obtained extrapolated to zero temperature. Results reveal that Stefan formula cohesive and coordination dependencies are only qualitative suited, but unadvised for quantitative discussion, as surface energies are highly overestimated, favoring in addition the stability of under-coordinated surfaces. Broken-bond cohesion and coordination dependencies are a suited basis for quantitative comparison, where square-root dependencies on CN to account for bond weakening are sensibly worse. An analysis using Wulff shaped averaged surface energies suggests the employment of broken-bond model using CN to gain surface energies for TMs, likely applicable to other metals.

  5. Phase transition detection by surface photo charge effect in liquid crystals

    Science.gov (United States)

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

    2018-05-01

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

  6. Noncollinear magnetism in surfaces and interfaces of transition metals

    Energy Technology Data Exchange (ETDEWEB)

    Tan, Huahai

    2009-09-15

    Noncollinear (NC) magnetism is common in nature, especially when there exist geometrical frustration and chemical imparity in the system. In this work we studied the NC magnetism and the response to external magnetic fields in surfaces and interfaces of transition metals by using an semi-empirical tight-binding (TB) method that parameterized to the ab initio TB-LMTO calculations. We implemented this method to study two systems. The first one is the system of 6 Mn monolayers on Fe(001) substrate. Due to the complex structure and magnetic properties of Mn, we found 23 collinear magnetic configurations but only one NC configuration. The collinear ground state has a layered antiferromagnetic (AFM) coupling which agrees with previous experiments and calculations. In the NC configuration the local AFM coupling in the Mn layers is preserved, but the surface is 90 degree coupled to the substrate. Similar to the experiment in CdCr{sub 2}O{sub 4}, we obtained a collinear plateau in the NC evolution of the average magnetic moment in Mn slab under external magnetic fields. Another is the system of a Cr monolayer on a stepped Fe(001) substrate. As expected, the local AFM coupling in the interface of Cr and Fe are preserved. However, the edge Cr atoms is about 90 coupled to their nearest Fe neighbors. We also simulated the procedure of adding more Cr coverages gradually to a Cr bilayer coverage. As coverages increase, the magnetic moments in the Cr interface reduce, and the collinear plateau becomes wider as coverages increase. However, the saturation fields in both the two systems are extremely high, around 10 kT.We expect that when the effect of temperature is taken into account, and in some proper systems, the saturation fields could be largely reduced to the scale that can be implemented in experiment, and our study may shed light on information storage devices with ultrahigh storage density. (orig.)

  7. Mirror reactor surface study

    Energy Technology Data Exchange (ETDEWEB)

    Hunt, A. L.; Damm, C. C.; Futch, A. H.; Hiskes, J. R.; Meisenheimer, R. G.; Moir, R. W.; Simonen, T. C.; Stallard, B. W.; Taylor, C. E.

    1976-09-01

    A general survey is presented of surface-related phenomena associated with the following mirror reactor elements: plasma first wall, ion sources, neutral beams, director converters, vacuum systems, and plasma diagnostics. A discussion of surface phenomena in possible abnormal reactor operation is included. Several studies which appear to merit immediate attention and which are essential to the development of mirror reactors are abstracted from the list of recommended areas for surface work. The appendix contains a discussion of the fundamentals of particle/surface interactions. The interactions surveyed are backscattering, thermal desorption, sputtering, diffusion, particle ranges in solids, and surface spectroscopic methods. A bibliography lists references in a number of categories pertinent to mirror reactors. Several complete published and unpublished reports on surface aspects of current mirror plasma experiments and reactor developments are also included.

  8. Mirror reactor surface study

    International Nuclear Information System (INIS)

    Hunt, A.L.; Damm, C.C.; Futch, A.H.; Hiskes, J.R.; Meisenheimer, R.G.; Moir, R.W.; Simonen, T.C.; Stallard, B.W.; Taylor, C.E.

    1976-01-01

    A general survey is presented of surface-related phenomena associated with the following mirror reactor elements: plasma first wall, ion sources, neutral beams, director converters, vacuum systems, and plasma diagnostics. A discussion of surface phenomena in possible abnormal reactor operation is included. Several studies which appear to merit immediate attention and which are essential to the development of mirror reactors are abstracted from the list of recommended areas for surface work. The appendix contains a discussion of the fundamentals of particle/surface interactions. The interactions surveyed are backscattering, thermal desorption, sputtering, diffusion, particle ranges in solids, and surface spectroscopic methods. A bibliography lists references in a number of categories pertinent to mirror reactors. Several complete published and unpublished reports on surface aspects of current mirror plasma experiments and reactor developments are also included

  9. Impacts of land cover transitions on surface temperature in China based on satellite observations

    Science.gov (United States)

    Zhang, Yuzhen; Liang, Shunlin

    2018-02-01

    China has experienced intense land use and land cover changes during the past several decades, which have exerted significant influences on climate change. Previous studies exploring related climatic effects have focused mainly on one or two specific land use changes, or have considered all land use and land cover change types together without distinguishing their individual impacts, and few have examined the physical processes of the mechanism through which land use changes affect surface temperature. However, in this study, we considered satellite-derived data of multiple land cover changes and transitions in China. The objective was to obtain observational evidence of the climatic effects of land cover transitions in China by exploring how they affect surface temperature and to what degree they influence it through the modification of biophysical processes, with an emphasis on changes in surface albedo and evapotranspiration (ET). To achieve this goal, we quantified the changes in albedo, ET, and surface temperature in the transition areas, examined their correlations with temperature change, and calculated the contributions of different land use transitions to surface temperature change via changes in albedo and ET. Results suggested that land cover transitions from cropland to urban land increased land surface temperature (LST) during both daytime and nighttime by 0.18 and 0.01 K, respectively. Conversely, the transition of forest to cropland tended to decrease surface temperature by 0.53 K during the day and by 0.07 K at night, mainly through changes in surface albedo. Decreases in both daytime and nighttime LST were observed over regions of grassland to forest transition, corresponding to average values of 0.44 and 0.20 K, respectively, predominantly controlled by changes in ET. These results highlight the necessity to consider the individual climatic effects of different land cover transitions or conversions in climate research studies. This short

  10. Adsorption and dissociation of dinitrogen on transition metal (Ta, W and Re) doped MgO surface

    KAUST Repository

    Yadav, Manoj Kumar; Vovusha, Hakkim; Sanyal, Biplab

    2016-01-01

    The adsorption and dissociation of dinitrogen on transition metal (Ta, W and Re) doped MgO(100) surface has been studied employing density functional theory. It is found that all these transition metals (TM) on MgO(100) surface are capable

  11. Laser surface alloying of aluminium-transition metal alloys

    International Nuclear Information System (INIS)

    Almeida, A.; Vilar, R.

    1998-01-01

    Laser surface alloying has been used as a tool to produce hard and corrosion resistant Al-transition metal (TM) alloys. Cr and Mo are particularly interesting alloying elements to produce stable high-strength alloys because they present low diffusion coefficients and solid solubility in Al. To produce Al-TM surface alloys a two-step laser process was developed: firstly, the material is alloyed using low scanning speed and secondly, the microstructure is modified by a refinement step. This process was used in the production of Al-Cr, Al-Mo and Al-Mo and Al-Nb surface alloys by alloying Cr, Mo or Nb powder into an Al and 7175 Al alloy substrate using a CO 2 laser . This paper presents a review of the work that has been developed at Instituto Superior Tecnico on laser alloying of Al-TM alloy, over the last years. (Author) 16 refs

  12. Surface analysis of transition metal oxalates: Damage aspects

    Energy Technology Data Exchange (ETDEWEB)

    Chenakin, S.P., E-mail: chenakin@imp.kiev.ua [Université Libre de Bruxelles (ULB), Chimie-Physique des Matériaux, B-1050 Bruxelles (Belgium); Institute of Metal Physics, Nat. Acad. Sci. of Ukraine, Akad. Vernadsky Blvd. 36, 03680 Kiev (Ukraine); Szukiewicz, R. [Université Libre de Bruxelles (ULB), Chimie-Physique des Matériaux, B-1050 Bruxelles (Belgium); Barbosa, R.; Kruse, N. [Université Libre de Bruxelles (ULB), Chimie-Physique des Matériaux, B-1050 Bruxelles (Belgium); Voiland School of Chemical Engineering and Bioengineering, Washington State University, 155 Wegner Hall, Pullman, WA 99164-6515 (United States)

    2016-05-15

    Highlights: • Gas evolution from the Mn, Co, Ni and Cu oxalate hydrates in vacuum, during exposure to X-rays and after termination of X-ray irradiation is studied. • A comparative study of the damage caused by X-rays in NiC{sub 2}O{sub 4} and CuC{sub 2}O{sub 4} is carried out. • Effect of Ar{sup +} bombardment on the structure and composition of CoC{sub 2}O{sub 4} is studied. - Abstract: The behavior of transition metal oxalates in vacuum, under X-ray irradiation and low-energy Ar{sup +} ion bombardment was studied. A comparative mass-spectrometric analysis was carried out of gas evolution from the surface of Mn, Co, Ni and Cu oxalate hydrates in vacuum, during exposure to X-rays and after termination of X-ray irradiation. The rates of H{sub 2}O and CO{sub 2} liberation from the oxalates were found to be in an inverse correlation with the temperatures of dehydration and decomposition, respectively. X-ray photoelectron spectroscopy (XPS) was employed to study the X-ray induced damage in NiC{sub 2}O{sub 4} and CuC{sub 2}O{sub 4} by measuring the various XP spectral characteristics and surface composition of the oxalates as a function of time of exposure to X-rays. It was shown that Cu oxalate underwent a significantly faster degradation than Ni oxalate and demonstrated a high degree of X-ray induced reduction from the Cu{sup 2+} to the Cu{sup 1+} chemical state. 500 eV Ar{sup +} sputter cleaning of CoC{sub 2}O{sub 4} for 10 min was found to cause a strong transformation of the oxalate structure which manifested itself in an appreciable alteration of the XP core-level and valence band spectra. The analysis of changes in stoichiometry and comparison of XP spectra of bombarded oxalate with respective spectra of a reference carbonate CoCO{sub 3} implied that the bombardment-induced decomposition of CoC{sub 2}O{sub 4} gave rise to the formation of CoO-like and disordered CoCO{sub 3}-like phases.

  13. [Atomic beam studies of the interaction of hydrogen with transition metal surfaces]: Technical progress report for the period August 1, 1985--September 1, 1988

    International Nuclear Information System (INIS)

    1988-01-01

    This paper discusses the interactions of helium beams with metal surfaces. Particular topics covered are: improvement in He scattering facilities; spin polarized metastable He beam---a new probe of surface magnetism; and molecular dynamics simulations of the structure and dynamical properties of Cu, Ag and Au surfaces. 6 figs

  14. Urban Transit System Microbial Communities Differ by Surface Type and Interaction with Humans and the Environment.

    Science.gov (United States)

    Hsu, Tiffany; Joice, Regina; Vallarino, Jose; Abu-Ali, Galeb; Hartmann, Erica M; Shafquat, Afrah; DuLong, Casey; Baranowski, Catherine; Gevers, Dirk; Green, Jessica L; Morgan, Xochitl C; Spengler, John D; Huttenhower, Curtis

    2016-01-01

    Public transit systems are ideal for studying the urban microbiome and interindividual community transfer. In this study, we used 16S amplicon and shotgun metagenomic sequencing to profile microbial communities on multiple transit surfaces across train lines and stations in the Boston metropolitan transit system. The greatest determinant of microbial community structure was the transit surface type. In contrast, little variation was observed between geographically distinct train lines and stations serving different demographics. All surfaces were dominated by human skin and oral commensals such as Propionibacterium , Corynebacterium , Staphylococcus , and Streptococcus . The detected taxa not associated with humans included generalists from alphaproteobacteria, which were especially abundant on outdoor touchscreens. Shotgun metagenomics further identified viral and eukaryotic microbes, including Propionibacterium phage and Malassezia globosa . Functional profiling showed that Propionibacterium acnes pathways such as propionate production and porphyrin synthesis were enriched on train holding surfaces (holds), while electron transport chain components for aerobic respiration were enriched on touchscreens and seats. Lastly, the transit environment was not found to be a reservoir of antimicrobial resistance and virulence genes. Our results suggest that microbial communities on transit surfaces are maintained from a metapopulation of human skin commensals and environmental generalists, with enrichments corresponding to local interactions with the human body and environmental exposures. IMPORTANCE Mass transit environments, specifically, urban subways, are distinct microbial environments with high occupant densities, diversities, and turnovers, and they are thus especially relevant to public health. Despite this, only three culture-independent subway studies have been performed, all since 2013 and all with widely differing designs and conclusions. In this study, we

  15. Atomic Structure of a Spinel-like Transition Al2O3 (100) Surface

    DEFF Research Database (Denmark)

    Jensen, Thomas Nørregaard; Meinander, Kristoffer; Helveg, Stig

    2014-01-01

    We study a crystalline epitaxial alumina thin film with the characteristics of a spinel-type transition Al2O3(100) surface by using atom-resolved noncontact atomic force microscopy and density functional theory. It is shown that the films are terminated by an Al-O layer rich in Al vacancies......, exhibiting a strong preference for surface hydroxyl group formation in two configurations. The transition alumina films are crystalline and perfectly stable in ambient atmospheres, a quality which is expected to open the door to new fundamental studies of the surfaces of transition aluminas....

  16. Numerical Study for a Large Volume Droplet on the Dual-rough Surface: Apparent Contact Angle, Contact Angle Hysteresis and Transition Barrier.

    Science.gov (United States)

    Dong, Jian; Jin, Yanli; Dong, He; Liu, Jiawei; Ye, Senbin

    2018-06-14

    The profile, apparent contact angle (ACA), contact angle hysteresis (CAH) and wetting state transmission energy barrier (WSTEB) are important static and dynamic properties of a large volume droplet on the hierarchical surface. Understanding them can provide us with important insights to functional surfaces and promote the application in corresponding areas. In this paper, we established three theoretical models (Model 1, Model 2 and Model 3) and corresponding numerical methods, which were obtained by the free energy minimization and the nonlinear optimization algorithm, to predict the profile, ACA, CAH and WSTEB of a large volume droplet on the horizontal regular dual-rough surface. In consideration of the gravity, the energy barrier on the contact circle, the dual heterogenous structures and their roughness on the surface, the models are more universal and accurate than previous models. It showed that the predictions of the models were in good agreement with the results from the experiment or literature. The models are promising to become novel design approaches of functional surfaces, which are frequently applied in microfluidic chips, water self-catchment system and dropwise condensation heat transfer system.

  17. Investigation of static and dynamic wetting transitions of UV responsive tunable wetting surfaces

    International Nuclear Information System (INIS)

    Pant, Reeta; Singha, Subhash; Bandyopadhyay, Aritra; Khare, Krishnacharya

    2014-01-01

    Ultraviolet (UV) radiation responsive surfaces, with tunable wetting properties, are fabricated by spin casting polystyrene/titania nanocomposite dispersion in tetrahydrofuran on silicon substrates. The prepared samples are found hydrophilic due to the presence of the water miscible solvent. Upon annealing, as the solvent evaporates, samples become superhydrophobic due to presence of hydrophobic polystyrene and formation of nano and micro scale surface roughness due to titania nanoparticles. Effect of different annealing temperatures and time on resulting wettability is investigated. Photocatalytic property of titania is exploited to make transition from superhydrophobic to hydrophilic state upon UV exposure. Subsequently, upon annealing again at elevated temperatures for sufficient time, the UV exposed hydrophilic samples recover their superhydrophobicity showing transition from hydrophilic to superhydrophobic state. Detailed static and dynamic study of these reversible transitions, between superhydrophobic and hydrophilic states, due to UV exposure and annealing is presented in this article.

  18. Non-equipotential magnetic surfaces and mode-transition in tokamaks

    International Nuclear Information System (INIS)

    Li Xingzhong

    1988-01-01

    The solution of the Fokker-Planck equation is used to describe a phase transition in velocity space. This transition is related to the mode-transition in tokamaks. After the transition the electrostatic potential on a magnetic surface cannot be considered as a constant. (orig.)

  19. Adsorption and dissociation of dinitrogen on transition metal (Ta, W and Re) doped MgO surface

    KAUST Repository

    Yadav, Manoj Kumar

    2016-06-16

    The adsorption and dissociation of dinitrogen on transition metal (Ta, W and Re) doped MgO(100) surface has been studied employing density functional theory. It is found that all these transition metals (TM) on MgO(100) surface are capable of adsorbing dinitrogen (N2), however there is no dissociative adsorption of N2 on single transition metal dopant. When two TM atoms are doped on MgO(100) surface, dissociative adsorption of dinitrogen occurs in all the three cases. Whether the dissociation is spontaneous or is it associated with activation barrier depends on the orientation of N2 molecule approaching the dopant site.

  20. 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

  1. PUREX transition project case study

    International Nuclear Information System (INIS)

    Jasen, W.G.

    1996-01-01

    In December 1992, the US Department of Energy (DOE) directed that the Plutonium-Uranium Extraction (PUREX) Plant be shut down and deactivated because it was no longer needed to support the nation's production of weapons-grade plutonium. The PUREX/UO 2 Deactivation Project will establish a safe and environmentally secure configuration for the facility and preserve that configuration for 10 years. The 10-year span is used to predict future maintenance requirements and represents the estimated time needed to define, authorize, and initiate the follow-on decontamination and decommissioning activities. Accomplishing the deactivation project involves many activities. Removing major hazards, such as excess chemicals, spent fuel, and residual plutonium are major goals of the project. The scope of the PUREX Transition Project is described within

  2. The Carolina Autism Transition Study (CATS)

    Science.gov (United States)

    2017-07-01

    AWARD NUMBER: W81XWH-15-1-0093 TITLE: The Carolina Autism Transition Study (CATS) PRINCIPAL INVESTIGATOR: Laura Carpenter, MD RECIPIENT...Carolina Autism Transition Study (CATS) 5b. GRANT NUMBER W81XWH-15-1-0093 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d. PROJECT NUMBER Laura Carpenter...provides a description of the Year 2 progress made and plans for Year 3 for the project entitled “The Carolina Autism Transition Study (CATS).” The goal of

  3. Studies of electron transitions using solid He pressure techniques

    International Nuclear Information System (INIS)

    Schirber, J.E.

    1977-01-01

    Changes in the topology of the Fermi surfaces of metals occur with variation of temperature or stoichiometry in a number of metallic systems of current interest. Pressure generated by a variety of techniques has proven to be the most useful experimental variable in the study of these transitions, but in most cases only solid He techniques yield sufficiently hydrostatic conditions to permit direct measurements of the Fermi surface as a function of pressure

  4. A new approach to define surface/sub-surface transition in gravel beds

    Science.gov (United States)

    Haynes, Heather; Ockelford, Anne-Marie; Vignaga, Elisa; Holmes, William

    2012-12-01

    The vertical structure of river beds varies temporally and spatially in response to hydraulic regime, sediment mobility, grain size distribution and faunal interaction. Implicit are changes to the active layer depth and bed porosity, both critical in describing processes such as armour layer development, surface-subsurface exchange processes and siltation/ sealing. Whilst measurements of the bed surface are increasingly informed by quantitative and spatial measurement techniques (e.g., laser displacement scanning), material opacity has precluded the full 3D bed structure analysis required to accurately define the surface-subsurface transition. To overcome this problem, this paper provides magnetic resonance imaging (MRI) data of vertical bed porosity profiles. Uniform and bimodal (σ g = 2.1) sand-gravel beds are considered following restructuring under sub-threshold flow durations of 60 and 960 minutes. MRI data are compared to traditional 2.5D laser displacement scans and six robust definitions of the surface-subsurface transition are provided; these form the focus of discussion.

  5. Theory of magnetic transition metal nanoclusters on surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Lounis, S.

    2007-04-17

    This thesis is motivated by the quest for the understanding and the exploration of complex magnetism provided by atomic scale magnetic clusters deposited on surfaces or embedded in the bulk. Use is made of the density functional theory (DFT). Acting within this framework, we have developed and implemented the treatment of non-collinear magnetism into the Juelich version of the full-potential Korringa-Kohn-Rostoker Green Function (KKR-GF) method. Firstly, the method was applied to 3d transition-metal clusters on different ferromagnetic surfaces. Different types of magnetic clusters where selected. In order to investigate magnetic frustration due to competing interactions within the ad-cluster we considered a (001) oriented surface of fcc metals, a topology which usually does not lead to non-collinear magnetism. We tuned the strength of the magnetic coupling between the ad-clusters and the ferromagnetic surface by varying the substrate from the case of Ni(001) with a rather weak hybridization of the Ni d-states with the adatom d-states to the case of Fe{sub 3ML}/Cu(001) with a much stronger hybridization due to the larger extend of the Fe wavefunctions. On Ni(001), the interaction between the Cr- as well as the Mn-dimer adatoms is of antiferromagnetic nature, which is in competition with the interaction with the substrate atoms. After performing total energy calculations we find that for Cr-dimer the ground state is collinear whereas the Mn-dimer prefers the non-collinear configuration as ground state. Bigger clusters are found to be magnetically collinear. These calculations were extended to 3d multimers on Fe{sub 3ML}/Cu(001). All neighboring Cr(Mn) moments in the compact tetramer are antiferromagnetically aligned in-plane, with the directions slightly tilted towards (outwards from) the substrate to gain some exchange interaction energy. The second type of frustration was investigated employing a Ni(111) surface, a surface with a triangular lattice of atoms, were

  6. Energy loss spectroscopy applied to surface studies

    International Nuclear Information System (INIS)

    Lecante, J.

    1975-01-01

    The analysis of energy losses suffered by slow electrons (5eV to 300eV) back-scattered by single crystal surfaces appears to be a powerful method for surfaces studies. The inelastic scattering of these slow electrons limits their escape depth to the surface region. After a review of the basic excitation processes due to the interaction between electrons and surfaces (phonons, plasmons and electronic transitions) a brief discussion is given about the instruments needed for this electrons spectroscopy. Finally some experimental results are listed and it is shown that the comparison of the results given by ELS with other surface sensitive methods such as UPS is very fruitful and new information can be obtained. The improvement of theoretical studies on surface excitations due to slow electrons will provide in the next future the possibility of analysing in a more quantitative way the results given by ELS [fr

  7. Hydrogen collisions with transition metal surfaces: Universal electronically nonadiabatic adsorption

    Science.gov (United States)

    Dorenkamp, Yvonne; Jiang, Hongyan; Köckert, Hansjochen; Hertl, Nils; Kammler, Marvin; Janke, Svenja M.; Kandratsenka, Alexander; Wodtke, Alec M.; Bünermann, Oliver

    2018-01-01

    Inelastic scattering of H and D atoms from the (111) surfaces of six fcc transition metals (Au, Pt, Ag, Pd, Cu, and Ni) was investigated, and in each case, excitation of electron-hole pairs dominates the inelasticity. The results are very similar for all six metals. Differences in the average kinetic energy losses between metals can mainly be attributed to different efficiencies in the coupling to phonons due to the different masses of the metal atoms. The experimental observations can be reproduced by molecular dynamics simulations based on full-dimensional potential energy surfaces and including electronic excitations by using electronic friction in the local density friction approximation. The determining factors for the energy loss are the electron density at the surface, which is similar for all six metals, and the mass ratio between the impinging atoms and the surface atoms. Details of the electronic structure of the metal do not play a significant role. The experimentally validated simulations are used to explore sticking over a wide range of incidence conditions. We find that the sticking probability increases for H and D collisions near normal incidence—consistent with a previously reported penetration-resurfacing mechanism. The sticking probability for H or D on any of these metals may be represented as a simple function of the incidence energy, Ein, metal atom mass, M, and incidence angle, 𝜗i n. S =(S0+a ṡEi n+b ṡM ) *(1 -h (𝜗i n-c ) (1 -cos(𝜗 i n-c ) d ṡh (Ei n-e ) (Ei n-e ) ) ) , where h is the Heaviside step function and for H, S0 = 1.081, a = -0.125 eV-1, b =-8.40 ṡ1 0-4 u-1, c = 28.88°, d = 1.166 eV-1, and e = 0.442 eV; whereas for D, S0 = 1.120, a = -0.124 eV-1, b =-1.20 ṡ1 0-3 u-1, c = 28.62°, d = 1.196 eV-1, and e = 0.474 eV.

  8. Transitions to improved core electron heat confinement triggered by low order rational magnetic surfaces in the stellarator TJ-II

    International Nuclear Information System (INIS)

    Estrada, T.; Medina, F.; Lopez-Bruna, D.; AscasIbar, E.; BalbIn, R.; Cappa, A.; Castejon, F.; Eguilior, S.; Fernandez, A.; Guasp, J.; Hidalgo, C.; Petrov, S.

    2007-01-01

    Transitions to improved core electron heat confinement are triggered by low order rational magnetic surfaces in TJ-II electron cyclotron heated (ECH) plasmas. Experiments are performed changing the magnetic shear around the rational surface n = 3/m = 2 to study its influence on the transition; ECH power modulation is used to look at transport properties. The improvement in the electron heat confinement shows no obvious dependence on the magnetic shear. Transitions triggered by the rational surface n = 4/m = 2 show, in addition, an increase in the ion temperature synchronized with the increase in the electron temperature. Ion temperature changes had not been previously observed either in TJ-II or in any other helical device. SXR measurements demonstrate that, under certain circumstances, the rational surface positioned inside the plasma core region precedes and provides a trigger for the transition

  9. Study of first electronic transition and hydrogen bonding state of ultra-thin water layer of nanometer thickness on an α-alumina surface by far-ultraviolet spectroscopy

    Science.gov (United States)

    Goto, Takeyoshi; Kinugasa, Tomoya

    2018-05-01

    The first electronic transition (A˜ ← X˜) and the hydrogen bonding state of an ultra-thin water layer of nanometer thickness between two α-alumina surfaces (0.5-20 nm) were studied using far-ultraviolet (FUV) spectroscopy in the wavelength range 140-180 nm. The ultra-thin water layer of nanometer thickness was prepared by squeezing a water droplet ( 1 μL) between a highly polished α-alumina prism and an α-alumina plate using a high pressure clamp ( 4.7 MPa), and the FUV spectra of the water layer at different thicknesses were measured using the attenuated total reflection method. As the water layer became thinner, the A˜ ← X˜ bands were gradually shifted to higher or lower energy relative to that of bulk water; at thicknesses smaller than 4 nm, these shifts were substantial (0.1-0.2 eV) in either case. The FUV spectra of the water layer with thickness lost at thicknesses below 4 nm, because of steric hydration forces between the α-alumina surfaces.

  10. Transfer matrix treatment of atomic chemisorption on transition metal surface

    International Nuclear Information System (INIS)

    Mariz, A.M.; Koiller, B.

    1980-05-01

    The atomic adsorption of hydrogen on paramagnetic nickel 100 surface is studied, using the Green's function formalism and the transfer matrix technique, which allows the treatment of the geometry of the system in a simple manner. Electronic correlation at the adatom orbital in a self consistent Hartree-Fock approach is incorporated. The adsorption energy, local density of states and charge transfer between the solid and the adatom are calculated for different crystal structures (sc and fcc) and adatom positions at the surface. The results are discussed in comparison with other theories and with available experimental data, with satisfactory agreement. (Author) [pt

  11. Laser surface alloying of aluminium-transition metal alloys

    Directory of Open Access Journals (Sweden)

    Almeida, A.

    1998-04-01

    Full Text Available Laser surface alloying has been used as a tool to produce hard and corrosion resistant Al-transition metal (TM alloys. Cr and Mo are particularly interesting alloying elements to produce stable highstrength alloys because they present low diffusion coefficients and solid solubility in Al. To produce Al-TM surface alloys a two-step laser process was developed: firstly, the material is alloyed using low scanning speed and secondly, the microstructure is modified by a refinement step. This process was used in the production of Al-Cr, Al-Mo and Al-Nb surface alloys by alloying Cr, Mo or Nb powder into an Al and 7175 Al alloy substrate using a CO2 laser. This paper presents a review of the work that has been developed at Instituto Superior Tecnico on laser alloying of Al-TM alloys, over the last years.

    En el presente trabajo se estudia la aleación superficial mediante láser de aluminio con metales de transición. El cromo y el molibdeno son particularmente interesantes porque producen aleaciones de alta resistencia y por el bajo coeficiente de difusión y solución sólida en aluminio. Para producir estas aleaciones se ha seguido un procedimiento desarrollado en dos partes. En primer lugar, el material se alea usando una baja velocidad de procesado y en segundo lugar la estructura se modifica mediante un refinamiento posterior. Este procedimiento se ha empleado en la producción de aleaciones Al-Cr, Al-Mo y Al-Nb mediante aleación con láser de CO2 de polvos de Cr, Mo o Nb en aluminio y la aleación 7175. Este trabajo es una revisión del desarrollado en el Instituto Superior Técnico de Lisboa en los últimos años.

  12. Study of transition metal cations state on the catalyst surface by IR-spectroscopy of adsorbed test-molecules (CO, NO)

    International Nuclear Information System (INIS)

    Davydov, A.A.

    1993-01-01

    Using the methods of IR spectroscopy and ESR spectral manifestations of CO and NO in complexes with cations of vanadium in different oxidation degrees and coordination states have been studied. V 5+ cations do not coordinate NO and CO, but coordinate ammonia. Regular decrease of νCO values in V n+ -CO complexes with vanadium oxidation degree decrease has been shown. Spectral manifestation of NO complexes with V 4+ and V 3+ have been followed. The formation of V 4+ -NO, V 3+ -NO and V 3+ (NO) complexes has been established

  13. 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.

  14. Wetting and Dewetting Transitions on Submerged Superhydrophobic Surfaces with Hierarchical Structures.

    Science.gov (United States)

    Wu, Huaping; Yang, Zhe; Cao, Binbin; Zhang, Zheng; Zhu, Kai; Wu, Bingbing; Jiang, Shaofei; Chai, Guozhong

    2017-01-10

    The wetting transition on submersed superhydrophobic surfaces with hierarchical structures and the influence of trapped air on superhydrophobic stability are predicted based on the thermodynamics and mechanical analyses. The dewetting transition on the hierarchically structured surfaces is investigated, and two necessary thermodynamic conditions and a mechanical balance condition for dewetting transition are proposed. The corresponding thermodynamic phase diagram of reversible transition and the critical reversed pressure well explain the experimental results reported previously. Our theory provides a useful guideline for precise controlling of breaking down and recovering of superhydrophobicity by designing superhydrophobic surfaces with hierarchical structures under water.

  15. Surface Excrescence Transition Study Delivery Order 0053

    Science.gov (United States)

    2009-04-01

    located near the town of Hyuga). The facility was constructed on a former MAGLEV testing track owned by Railway Technical Research Institute of Japan 6...12pp) 6. Takahashi, K., ―The outline of MLU002N on Miyazaki test track,‖ Int. Conf. on Speedup Technology for Railway and MAGLEV Vehicles vol 1 pp

  16. Noise-and delay-induced phase transitions of the dimer–monomer surface reaction model

    International Nuclear Information System (INIS)

    Zeng Chunhua; Wang Hua

    2012-01-01

    Highlights: ► We study the dimer–monomer surface reaction model. ► We show that noise induces first-order irreversible phase transition (IPT). ► Combination of noise and time-delayed feedback induce first- and second-order IPT. ► First- and second-order IPT is viewed as noise-and delay-induced phase transitions. - Abstract: The effects of noise and time-delayed feedback in the dimer–monomer (DM) surface reaction model are investigated. Applying small delay approximation, we construct a stochastic delayed differential equation and its Fokker–Planck equation to describe the state evolution of the DM reaction model. We show that the noise can only induce first-order irreversible phase transition (IPT) characteristic of the DM model, however the combination of the noise and time-delayed feedback can simultaneously induce first- and second-order IPT characteristics of the DM model. Therefore, it is shown that the well-known first- and second-order IPT characteristics of the DM model may be viewed as noise-and delay-induced phase transitions.

  17. Theoretical study of non reactive collisions between alkaline atoms and hydrogen or deuterium molecules. Calculations and analysis of the potential surfaces. Application to the fine structure transitions of the Rubidium

    International Nuclear Information System (INIS)

    Rossi, F.N.

    1986-10-01

    The adiabatic potential lines are first obtained through the use of a pseudo-potential, depending on the electronic orbital moment. A perturbative method is then used to generate the potential surfaces, according to the potential lines. A quantum calculation in the thermal energy domain is realized, for the cross-sections concerning the structure transitions of the Rubidium, induced by the collision with hydrogen or deuterium molecules. This allowed the interpretation of the experimentally observed isotopic effect [fr

  18. Fuel Pellets from Wheat Straw: The Effect of Lignin Glass Transition and Surface Waxes on Pelletizing Properties

    DEFF Research Database (Denmark)

    Stelte, Wolfgang; Clemons, Craig; Holm, Jens K.

    2012-01-01

    and a high concentration of hydrophobic waxes on its outer surface that may limit the pellet strength. The present work studies the impact of the lignin glass transition on the pelletizing properties of wheat straw. Furthermore, the effect of surface waxes on the pelletizing process and pellet strength...... are investigated by comparing wheat straw before and after organic solvent extraction. The lignin glass transition temperature for wheat straw and extracted wheat straw is determined by dynamic mechanical thermal analysis. At a moisture content of 8%, transitions are identified at 53°C and 63°C, respectively....... Pellets are pressed from wheat straw and straw where the waxes have been extracted from. Two pelletizing temperatures were chosen—one below and one above the glass transition temperature of lignin. The pellets compression strength, density, and fracture surface were compared to each other. Pellets pressed...

  19. Energy loss spectroscopy applied to surface studies

    International Nuclear Information System (INIS)

    Lecante, J.

    1975-01-01

    The analysis of energy losses suffered by slow electrons (5 eV to 300 eV) back-scattered by single crystal surfaces appears to be a powerful method for surfaces studies. The inelastic scattering of these slow electrons limits their escape depth to the surface region which is defined here. After a review of the basic excitation processes due to the interaction between electrons and surfaces (phonons, plasmons and electronic transitions) a brief discussion is given about the instruments needed for this electron spectroscopy. Finally some experimental results are listed and it is shown that the comparison of the results given by ELS with other surface sensitive methods such as UPS is very fruitful and new information can be obtained [fr

  20. Sebum/Meibum Surface Film Interactions and Phase Transitional Differences

    OpenAIRE

    Mudgil, Poonam; Borchman, Douglas; Gerlach, Dylan; Yappert, Marta C.

    2016-01-01

    Purpose Sebum may contribute to the composition of the tear film lipid layer naturally or as a contaminant artifact from collection. The aims of this study were to determine: if sebum changes the rheology of meibum surface films; if the resonance near 5.2 ppm in the 1H-NMR spectra of sebum is due to squalene (SQ); and if sebum or SQ, a major component of sebum, interacts with human meibum. Methods Human meibum was collected from the lid margin with a platinum spatula. Human sebum was collecte...

  1. Phase Transitions, Diffraction Studies and Marginal Dimensionality

    DEFF Research Database (Denmark)

    Als-Nielsen, Jens Aage

    1985-01-01

    Continuous phase transitions and the associated critical phenomena have been one of the most active areas of research in condensed matter physics for several decades. This short review is only one cut through this huge subject and the author has chosen to emphasize diffraction studies as a basic ...

  2. A transitioning Arctic surface energy budget: the impacts of solar zenith angle, surface albedo and cloud radiative forcing

    Energy Technology Data Exchange (ETDEWEB)

    Sedlar, Joseph; Tjernstroem, Michael; Leck, Caroline [Stockholm University, Department of Meteorology, Stockholm (Sweden); Mauritsen, Thorsten [Max-Planck-Institute for Meteorology, Hamburg (Germany); Shupe, Matthew D.; Persson, P.O.G. [University of Colorado, NOAA-ESRL-PSD, Boulder, CO (United States); Brooks, Ian M.; Birch, Cathryn E. [University of Leeds, School of Earth and Environment, Leeds (United Kingdom); Sirevaag, Anders [University of Bergen, Bjerknes Center for Climate Research, Bergen (Norway); Nicolaus, Marcel [Norwegian Polar Institute, Tromsoe (Norway); Alfred Wegener Institute for Polar and Marine Research, Bremerhaven (Germany)

    2011-10-15

    Snow surface and sea-ice energy budgets were measured near 87.5 N during the Arctic Summer Cloud Ocean Study (ASCOS), from August to early September 2008. Surface temperature indicated four distinct temperature regimes, characterized by varying cloud, thermodynamic and solar properties. An initial warm, melt-season regime was interrupted by a 3-day cold regime where temperatures dropped from near zero to -7 C. Subsequently mean energy budget residuals remained small and near zero for 1 week until once again temperatures dropped rapidly and the energy budget residuals became negative. Energy budget transitions were dominated by the net radiative fluxes, largely controlled by the cloudiness. Variable heat, moisture and cloud distributions were associated with changing air-masses. Surface cloud radiative forcing, the net radiative effect of clouds on the surface relative to clear skies, is estimated. Shortwave cloud forcing ranged between -50 W m{sup -2} and zero and varied significantly with surface albedo, solar zenith angle and cloud liquid water. Longwave cloud forcing was larger and generally ranged between 65 and 85 W m{sup -2}, except when the cloud fraction was tenuous or contained little liquid water; thus the net effect of the clouds was to warm the surface. Both cold periods occurred under tenuous, or altogether absent, low-level clouds containing little liquid water, effectively reducing the cloud greenhouse effect. Freeze-up progression was enhanced by a combination of increasing solar zenith angles and surface albedo, while inhibited by a large, positive surface cloud forcing until a new air-mass with considerably less cloudiness advected over the experiment area. (orig.)

  3. Surface Properties of Titanium dioxide and its Structural Modifications by Reactions with Transition Metals

    Science.gov (United States)

    Halpegamage, Sandamali

    polymorph. So far, a reasonable explanation as to why these differences exist was not reported. In our studies, we used high quality epitaxial rutile and anatase thin films which enabled isolating the surface effects from the bulk effects and show that it is the difference between the charge carrier diffusion lengths that causes this difference in activities. In addition to that, using different surface orientations of rutile-TiO 2, we show that the anisotropic bulk charge carrier mobility may contribute to the orientation dependent photoactivity. Moreover, we show that different surface preparation methods also affect the activity of the sample and vacuum reduction results in an enhanced activity. In an effort to modify the TiO2 surfaces with monolayer/mixed monolayer oxides, we carried out experiments on (011) orientation of single crystal rutile TiO2 with few of the selected transition metal oxides namely Fe, V, Cr and Ni. We found that for specific oxidation conditions a monolayer mixed oxide is formed for all M (M= Fe, V, Cr, Ni), with one common structure with the composition MTi2O5. For small amounts of M the surface segregates into pure TiO2(011)-2x1 and into domains of MTi2O5 indicating that this mixed monolayer oxide is a low energy line phase in a compositional surface phase diagram. The oxygen pressure required for the formation of this unique monolayer structure increases in the order of Venthalpy of formation of oxide for these transition metals. The structure proposed for the stable MTi2O5 mixed monolayer oxide by DFT-based simulations was verified by X-ray photoemission diffraction measurements performed at a synchrotron facility.

  4. Surface energy exchanges along a tundra-forest transition and feedbacks to climate

    Science.gov (United States)

    Beringer, J.; Chapin, F. S.; Thompson, Catharine Copass; McGuire, A.D.

    2005-01-01

    Surface energy exchanges were measured in a sequence of five sites representing the major vegetation types in the transition from arctic tundra to forest. This is the major transition in vegetation structure in northern high latitudes. We examined the influence of vegetation structure on the rates of sensible heating and evapotranspiration to assess the potential feedbacks to climate if high-latitude warming were to change the distribution of these vegetation types. Measurements were made at Council on the Seward Peninsula, Alaska, at representative tundra, low shrub, tall shrub, woodland (treeline), and boreal forest sites. Structural differences across the transition from tundra to forest included an increase in the leaf area index (LAI) from 0.52 to 2.76, an increase in canopy height from 0.1 to 6.1 m, and a general increase in canopy complexity. These changes in vegetation structure resulted in a decrease in albedo from 0.19 to 0.10 as well as changes to the partitioning of energy at the surface. Bulk surface resistance to water vapor flux remained virtually constant across sites, apparently because the combined soil and moss evaporation decreased while transpiration increased along the transect from tundra to forest. In general, sites became relatively warmer and drier along the transect with the convective fluxes being increasingly dominated by sensible heating, as evident by an increasing Bowen ratio from 0.94 to 1.22. The difference in growing season average daily sensible heating between tundra and forest was 21 W m-2. Fluxes changed non-linearly along the transition, with both shrubs and trees substantially enhancing heat transfer to the atmosphere. These changes in vegetation structure that increase sensible heating could feed back to enhance warming at local to regional scales. The magnitude of these vegetation effects on potential high-latitude warming is two to three times greater than suggested by previous modeling studies. ?? 2005 Elsevier B.V. All

  5. Surface structuring in polypropylene using Ar+ beam sputtering: Pattern transition from ripples to dot nanostructures

    Science.gov (United States)

    Goyal, Meetika; Aggarwal, Sanjeev; Sharma, Annu; Ojha, Sunil

    2018-05-01

    Temporal variations in nano-scale surface morphology generated on Polypropylene (PP) substrates utilizing 40 keV oblique argon ion beam have been presented. Due to controlled variation of crucial beam parameters i.e. ion incidence angle and erosion time, formation of ripple patterns and further its transition into dot nanostructures have been realized. Experimental investigations have been supported by evaluation of Bradley and Harper (B-H) coefficients estimated using SRIM (The Stopping and Range of Ions in Matter) simulations. Roughness of pristine target surfaces has been accredited to be a crucial factor behind the early time evolution of nano-scale patterns over the polymeric surface. Study of Power spectral density (PSD) spectra reveals that smoothing mechanism switch from ballistic drift to ion enhanced surface diffusion (ESD) which can be the most probable cause for such morphological transition under given experimental conditions. Compositional analysis and depth profiling of argon ion irradiated specimens using Rutherford Backscattering Spectroscopy (RBS) has also been correlated with the AFM findings.

  6. Inorganic Surface Coating with Fast Wetting-Dewetting Transitions for Liquid Manipulations.

    Science.gov (United States)

    Yang, Yajie; Zhang, Liaoliao; Wang, Jue; Wang, Xinwei; Duan, Libing; Wang, Nan; Xiao, Fajun; Xie, Yanbo; Zhao, Jianlin

    2018-06-06

    Liquid manipulation is a fundamental issue for microfluidics and miniaturized sensors. Fast wetting-state transitions by optical methods have proven being efficient for liquid manipulations by organic surface coatings, however rarely been achieved by using inorganic coatings. Here, we report a fast optical-induced wetting-state transition surface achieved by inorganic coating, enabling tens of second transitions for a wetting-dewetting cycle, shortened from an hour, as typically reported. Here, we demonstrate a gravity-driven microfluidic reactor and switch it to a mixer after a second-step exposure in a minimum of within 80 s of UV exposure. The fast wetting-dewetting transition surfaces enable the fast switchable or erasable smart surfaces for water collection, miniature chemical reaction, or sensing systems by using inorganic surface coatings.

  7. TED Study of Si(113) Surfaces

    Science.gov (United States)

    Suzuki, T.; Minoda, H.; Tanishiro, Y.; Yagi, K.

    A TED study of Si(113) surfaces was carried out. Reflections from the 3 × 2 reconstruction were seen at room temperature, while half-order reflections were very faint. The surface showed the phase transition between the 3 × 1 and the disordered (rough) structures at about 930°C. The (113) surface structure at room temperature was analyzed using TED intensity. Four kinds of structure models proposed previously, including both the 3 × 1 and the 3 × 2 reconstructed structures, were examined. The R-factors calculated using the energy-optimized atomic coordinates are not sufficiently small. After minimization of the R-factors, Dabrowski's 3 × 2 structure model is most agreeable, while Ranke's 3 × 1 and 3 × 2 structure models are not to be excluded. STM observation showed that the surface is composed of small domains of the 3 × 2 structure.

  8. Electric controlling of surface metal-insulator transition in the doped BaTiO3 film

    Directory of Open Access Journals (Sweden)

    Wei Xun

    2017-07-01

    Full Text Available Based on first-principles calculations, the BaTiO3(BTO film with local La-doping is studied. For a selected concentration and position of doping, the surface metal-insulator transition occurs under the applied electric field, and the domain appears near the surface for both bipolar states. Furthermore, for the insulated surface state, i.e., the downward polarization state in the doped film, the gradient bandgap structure is achieved, which favors the absorption of solar energy. Our investigation can provide an alternative avenue in modification of surface property and surface screening effect in polar materials.

  9. Surface magnetic phase transitions in Dy/Lu superlattices

    International Nuclear Information System (INIS)

    Goff, J.P.; Sarthour, R.S.; Micheletti, C.; Langridge, S.; Wilkins, C.J.T.; Ward, R.C.C.; Wells, M.R.

    1999-01-01

    Dy/Lu superlattices comprising ferromagnetic Dy blocks coupled antiferromagnetically across the Lu blocks may be modelled as a chain of XY spins with antiferromagnetic exchange and six-fold anisotropy. We have calculated the stable magnetic phases for the cases of large anisotropy and a field applied along an easy direction. For an infinite chain an intermediate phase (1, 5,...) is predicted, where the notation gives the angle between the moment and the applied field in units of π/3. Furthermore, the effects of surface reconstruction are determined for finite chains. A [Dy 20 Lu 12 ] 20 superlattice has been studied using bulk magnetization and polarized neutron reflectivity. The (1, 5,...) phase has been identified and the results provide direct evidence in support of the theoretical predictions. Dipolar forces are shown to account for the magnitude of the observed exchange coupling. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

  10. Microstructures, surface properties, and topotactic transitions of manganite nanorods.

    Science.gov (United States)

    Gao, Tao; Krumeich, Frank; Nesper, Reinhard; Fjellvåg, Helmer; Norby, Poul

    2009-07-06

    Manganite (gamma-MnOOH) nanorods with typical diameters of 20-500 nm and lengths of several micrometers were prepared by reacting KMnO(4) and ethanol under hydrothermal conditions. Synchrotron X-ray diffraction (XRD) reveal that the gamma-MnOOH nanorods crystallize in the monoclinic space group P2(1)/c with unit cell dimensions a = 5.2983(3) A, b = 5.2782(2) A, c = 5.3067(3) A, and beta = 114.401(2) degrees . Transmission electron microscopy shows that the gamma-MnOOH nanorods are single crystalline and that lateral attachment occurs for primary rods elongated along 101. X-ray photoelectron spectroscopy studies indicate that the surfaces of the gamma-MnOOH nanorods are hydrogen deficient and compensated by surface complexation. The Raman scattering spectrum features five main contributions at 360, 389, 530, 558, and 623 cm(-1) along with four weak ones at 266, 453, 492, and 734 cm(-1), attributed to Mn-O vibrations within MnO(6) octahedral frameworks. The structural stability of the gamma-MnOOH nanorods was discussed by means of in situ time-resolved synchrotron XRD. The monoclinic gamma-MnOOH nanorods transform into tetragonal beta-MnO(2) upon heating in air at about 200 degrees C. The reaction is topotactic and shows distinctive differences from those seen for bulk counterparts. A metastable, intermediate phase is observed, possibly connected with hydrogen release via the interstitial (1 x 1) tunnels of the gamma-MnOOH nanorods.

  11. Detroit regional transit study : a study of factors that enable and inhibit effective regional transit.

    Science.gov (United States)

    2014-03-01

    An interdisciplinary team of six faculty members and six students at the University of Detroit Mercy (UDM) conducted a : comprehensive study of the factors enabling or inhibiting development of effective regional transit. Focusing on Metro Detroit an...

  12. Surface free energy of alkali and transition metal nanoparticles

    International Nuclear Information System (INIS)

    Aqra, Fathi; Ayyad, Ahmed

    2014-01-01

    Graphical abstract: Size dependent surface free energy of spherical, cubic and disk Au nanoparticles. - Highlights: • A model to account for the surface free energy of metallic nanoparticles is described. • The model requires only the cohesive energy of the nanoparticle. • The surface free energy of a number of metallic nanoparticles has been calculated, and the obtained values agree well with existing data. • Surface energy falls down very fast when the number of atoms is less than hundred. • The model is applicable to any metallic nanoparticle. - Abstract: This paper addresses an interesting issue on the surface free energy of metallic nanoparticles as compared to the bulk material. Starting from a previously reported equation, a theoretical model, that involves a specific term for calculating the cohesive energy of nanoparticle, is established in a view to describe the behavior of surface free energy of metallic nanoparticles (using different shapes of particle: sphere, cube and disc). The results indicate that the behavior of surface energy is very appropriate for spherical nanoparticle, and thus, it is the most realistic shape of a nanoparticle. The surface energy of copper, silver, gold, platinum, tungsten, molybdenum, tantalum, paladium and alkali metallic nanoparticles is only prominent in the nanoscale size, and it decreases with the decrease of nanoparticle size. Thus, the surface free energy plays a more important role in determining the properties of nanoparticles than in bulk materials. It differs from shape to another, and falls down as the number of atoms (nanoparticle size) decreases. In the case of spherical nanoparticles, the onset of the sharp decrease in surface energy is observed at about 110 atom. A decrease of 16% and 45% in surface energy is found by moving from bulk to 110 atom and from bulk to 5 atom, respectively. The predictions are consistent with the reported data

  13. Surface-enhanced Raman scattering from metal and transition metal nano-caped arrays

    Science.gov (United States)

    Sun, Huanhuan; Gao, Renxian; Zhu, Aonan; Hua, Zhong; Chen, Lei; Wang, Yaxin; Zhang, Yongjun

    2018-03-01

    The metal and transition metal cap-shaped arrays on polystyrene colloidal particle (PSCP) templates were fabricated to study the surface-enhanced Raman scattering (SERS) effect. We obtained the Ag and Fe complex film by a co-sputtering deposition method. The size of the deposited Fe particle was changed by the sputtering power. We also study the SERS enhancement mechanism by decorating the PATP probe molecule on the different films. The SERS signals increased firstly, and then decreased as the size of Fe particles grows gradually. The finite-difference time domain (FDTD) simulation and experimental Raman results manifest that SERS enhancement was mainly attributed to surface plasma resonance (SPR) between Ag and Ag nanoparticles. The SERS signals of PATP molecule were enhanced to reach a lowest detectable concentration of 10-8 mol/L. The research demonstrates that the SERS substrates with Ag-Fe cap-shaped arrays have a high sensitivity.

  14. Surface charge sensing by altering the phase transition in VO2

    Science.gov (United States)

    Kumar, S.; Esfandyarpour, R.; Davis, R.; Nishi, Y.

    2014-08-01

    Detection of surface charges has various applications in medicine, electronics, biotechnology, etc. The source of surface charge induction may range from simple charge-polarized molecules like water to complicated proteins. It was recently discovered that surface charge accumulation can alter the temperature at which VO2 undergoes a Mott transition. Here, we deposited polar molecules onto the surface of two-terminal thin-film VO2 lateral devices and monitored the joule-heating-driven Mott transition, or conductance switching. We observed that the power required to induce the conductance switching reduced upon treatment with polar molecules and, using in-situ blackbody-emission direct measurement of local temperature, we show that this reduction in power was accompanied by reduction in the Mott transition temperature. Further evidence suggested that this effect has specificity to the nature of the species used to induce surface charges. Using x-ray absorption spectroscopy, we also show that there is no detectable change in oxidation state of vanadium or structural phase in the bulk of the 40 nm VO2 thin-film even as the phase transition temperature is reduced by up to 20 K by the polar molecules. The ability to alter the phase transition parameters by depositing polar molecules suggests a potential application in sensing surface charges of different origins and this set of results also highlights interesting aspects of the phase transition in VO2.

  15. Nonlinear optical studies of surfaces

    International Nuclear Information System (INIS)

    Shen, Y.R.

    1994-07-01

    The possibly of using nonlinear optical processes for surface studies has attracted increasing attention in recent years. Optical second harmonic generation (SHG) and sum frequency generation (SFG), in particular, have been well accepted as viable surface probes. They have many advantages over the conventional techniques. By nature, they are highly surface-specific and has a submonolayer sensitivity. As coherent optical processes, they are capable of in-situ probing of surfaces in hostile environment as well as applicable to all interfaces accessible by light. With ultrafast pump laser pulses, they can be employed to study surface dynamic processes with a subpicosecond time resolution. These advantages have opened the door to many exciting research opportunities in surface science and technology. This paper gives a brief overview of this fast-growing new area of research. Optical SHG from a surface was first studied theoretically and experimentally in the sixties. Even the submonolayer surface sensitivity of the process was noticed fairly early. The success was, however, limited because of difficulties in controlling the experimental conditions. It was not until the early 1980's that the potential of the process for surface analysis was duly recognized. The first surface study by SHG was actually motivated by the then active search for an understanding of the intriguing surface enhanced Raman scattering (SERS). It had been suspected that the enhancement in SERS mainly came from the local-field enhancement due to local plasmon resonances and pointing rod effect on rough metal surfaces. In our view, Raman scattering is a two-photon process and is therefore a nonlinear optical effect

  16. Scaling Relationships for Adsorption Energies of C2 Hydrocarbons on Transition Metal Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Jones, G

    2011-08-18

    Using density functional theory calculations we show that the adsorption energies for C{sub 2}H{sub x}-type adsorbates on transition metal surfaces scale with each other according to a simple bond order conservation model. This observation generalizes some recently recognized adsorption energy scaling laws for AH{sub x}-type adsorbates to unsaturated hydrocarbons and establishes a coherent simplified description of saturated as well as unsaturated hydrocarbons adsorbed on transition metal surfaces. A number of potential applications are discussed. We apply the model to the dehydrogenation of ethane over pure transition metal catalysts. Comparison with the corresponding full density functional theory calculations shows excellent agreement.

  17. Scratching the surface of ice: Interfacial phase transitions and their kinetic implications

    Science.gov (United States)

    Limmer, David

    The surface structure of ice maintains a high degree of disorder down to surprisingly low temperatures. This is due to a number of underlying interfacial phase transitions that are associated with incremental changes in broken symmetry relative to the bulk crystal. In this talk I summarize recent work attempting to establish the nature and locations of these different phase transitions as well as how they depend on external conditions and nonequilibrium driving. The implications of this surface disorder is discussed in the context of simple kinetic processes that occur at these interfaces. Recent experimental work on the roughening transition is highlighted.

  18. DPPC Monolayers Exhibit an Additional Phase Transition at High Surface Pressure

    DEFF Research Database (Denmark)

    Shen, Chen; de la Serna, Jorge B.; Struth, Bernd

    2015-01-01

    Pulmonary surfactant forms a monolayer at the air/aqueous interface within the lung. During the breath process, the surface pressure (Π) periodically varies from ~40mN/m up to ~70mN/m. The film is mechanically stable during this rapid and reversible expansion. Pulmonary surfactant consists of ~90......% of lipid with 10% integrated proteins. Among its lipid compounds, di-palmitoyl-phosphatidylcholine (DPPC) dominates (~45wt%). DPPC is the only known lipid that can be compressed to very high surface pressure (~70mN/m) before its monolayer collapses. Most probably, this feature contributes to the mechanical...... stability of the alveoli monolayer. Still, to the best of our knowledge, some details of the compression isotherm presented here and the related structures of the DPPC monolayer were not studied so far. The liquid-expanded/liquid-condensed phase transition of the DPPC monolayer at ~10mN/m is well known...

  19. 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.

  20. Dynamic Linkages Between the Transition Zone & Surface Plate Motions in 2D Models of Subduction

    Science.gov (United States)

    Arredondo, K.; Billen, M. I.

    2013-12-01

    While slab pull is considered the dominant force controlling plate motion and speed, its magnitude is controlled by slab behavior in the mantle, where tomographic studies show a wide range of possibilities from direct penetration to folding, or stagnation directly above the lower mantle (e.g. Fukao et al., 2009). Geodynamic studies have investigated various parameters, such as plate age and two phase transitions, to recreate observed behavior (e.g. Běhounková and Cízková, 2008). However, past geodynamic models have left out known slab characteristics that may have a large impact on slab behavior and our understanding of subduction processes. Mineral experiments and seismic observations have indicated the existence of additional phase transitions in the mantle transition zone that may produce buoyancy forces large enough to affect the descent of a subducting slab (e.g. Ricard et al., 2005). The current study systematically tests different common assumptions used in geodynamic models: kinematic versus free-slip boundary conditions, the effects of adiabatic heating, viscous dissipation and latent heat, compositional layering and a more complete suite of phase transitions. Final models have a complete energy equation, with eclogite, harzburgite and pyrolite lithosphere compositional layers, and seven composition-dependent phase transitions within the olivine, pyroxene and garnet polymorph minerals. Results show important feedback loops between different assumptions and new behavior from the most complete models. Kinematic models show slab weakening or breaking above the 660 km boundary and between compositional layers. The behavior in dynamic models with a free-moving trench and overriding plate is compared to the more commonly found kinematic models. The new behavior may have important implications for the depth distribution of deep earthquakes within the slab. Though the thermodynamic parameters of certain phase transitions may be uncertain, their presence and

  1. High-temperature phase transitions and domain structures of KLiSO{sub 4}. Studied by polarisation-optics, X-ray topography and liquid-crystal surface decoration

    Energy Technology Data Exchange (ETDEWEB)

    Scherf, Christian; Chung, Su Jin; Hahn, Theo; Klapper, Helmut [RWTH Aachen Univ. (Germany). Inst. fuer Kristallographie; Ivanov, Nicolay R. [Russian Academy of Sciences, Moscow (Russian Federation). Shubnikov Inst. of Crystallography

    2017-07-01

    The transitions between the room temperature phase III (space group P6{sub 3}) and the two high-temperature phases II (Pcmn) and I (P6{sub 3}/mmc) of KLiSO{sub 4} and the domain structures generated by them were investigated by high-temperature polarisation optics (birefringence) and room-temperature X-ray topography, optical activity and nematic-liquid-crystal (NLC) surface decoration. The transition from the polar hexagonal phase III into the centrosymmetric orthorhombic phase II at 708 K leads, due to the loss of the trigonal axis and the radial temperature gradient of the optical heating chamber used, to a roughly hexagonal arrangement of three sets of thin orthorhombic {110} lamelleae with angles of 60 (120 ) between them. The associated twin law ''reflection m{110}{sub orth}'' corresponds to the frequent growth twin m{10 anti 10}{sub hex} of phase III. The domains are easily ferroelastically switched. Upon further heating above 949 K into phase I (P6{sub 3}/mmc) all domains vanish. Upon cooling back into phase II the three domain states related by 60 (120 ) reflections m{110}{sub orth} re-appear, however (due to the higher thermal agitation at 949 K) with a completely different domain structure consisting of many small, irregularly arranged {110}{sub orth} domains. Particular attention is paid to the domain structure of the hexagonal room temperature phase III generated during the re-transition from the orthorhombic phase II. Curiously, from the expected three twin laws inversion anti 1, rotation 2 perpendicular to [001]{sub hex} and reflection m{10 anti 10}{sub hex} only the latter, which corresponds to the frequent growth twinning, has been found. Finally a short treatise of the structural relations of the KLiSO{sub 4} high-temperature polymorphs is given.

  2. Regime transitions in near-surface temperature inversions : a conceptual model

    NARCIS (Netherlands)

    van de Wiel, B.J.H.; Vignon, E.; Baas, P.; Bosveld, F.C.; de Roode, S.R.; Moene, A.F.; Genthon, C.; van der Linden, Steven J.A.; van Hooft, J. Antoon; van Hooijdonk, I.G.S.

    2017-01-01

    A conceptual model is used in combination with observational analysis to understand regime transitions of near-surface temperature inversions at night as well as in Arctic conditions. The model combines a surface energy budget with a bulk parameterization for turbulent heat transport. Energy fluxes

  3. Variability in soil CO2 production and surface CO2 efflux across riparian-hillslope transitions

    Science.gov (United States)

    Vincent Jerald. Pacific

    2007-01-01

    The spatial and temporal controls on soil CO2 production and surface CO2 efflux have been identified as an outstanding gap in our understanding of carbon cycling. I investigated both the spatial and temporal variability of soil CO2 concentrations and surface CO2 efflux across eight topographically distinct riparian-hillslope transitions in the ~300 ha subalpine upper-...

  4. Monte Carlo simulation of the surface magnetic phase transition in chromium

    International Nuclear Information System (INIS)

    Mata, G.J.; Valera, M.

    1995-03-01

    Antiferromagnetic chromium is known to have a surface magnetic phase transition at a temperature T s = 780K, which is well above its bulk Neel temperature, T N = 311K. Electronic structure calculations predict an enhancement of the magnetic moment at the surface, due to changes in the local electronic environment. In order to ascertain the role of such an enhancement in the surface magnetic transition, we have modelled the surface by means of a classical Heisenberg model in which: a) the magnitude of a given spin is equal to the value of the corresponding magnetic moment predicted by band structure calculations, b) the exchange interaction J between spins is the same throughout the system, and c) the exchange interaction is chosen so as to reproduce the bulk transition temperature. We find a ratio of surface to bulk transition temperature of T S /T N = 2.5, which is an excellent agreement with the experimental result. Our results suggest that the surface magnetic transition in chromium is driven by fluctuations in the orientation of the magnetic moments and that quantum fluctuations play a minor role. (author). 18 refs, 5 figs

  5. 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.

  6. Fermi surface study of CeSb

    International Nuclear Information System (INIS)

    Aoki, H.; Crabtree, G.W.; Joss, W.; Hulliger, F.

    1984-09-01

    A Fermi surface study of the ferromagnetic phase of CeSb is presented. The γ frequency branches arising from the electron surfaces at the X points, three separate frequency branches from the hole surfaces at the GAMMA point and the low frequency branch α have been observed. The effective mass ratios are low and range from approx. 0.2 for the α branch to approx. 1.0 for the high frequency branch of γ. The low effective mass ratios suggest that the admixture of the conduction states with the f state is small. We have observed a drastic change in the appearance of the dHvA signal at the phase transition between the ferromagnetic and lower field antiferromagnetic phases: The low frequency α oscillation suddenly disappears as the crystal enters the antiferromagnetic phase. By utilizing the change in the signal appearance, the transition field strength has been measured as a function of the field direction. The present experimental results, particularly the origin of the α oscillation, are discussed in the light of the p-f mixing theory and recent band structure calculations based on localized f orbitals

  7. Fermi surface study of CeSb

    International Nuclear Information System (INIS)

    Aoki, H.; Crabtree, G.; Joss, W.; Hulliger, F.

    1985-01-01

    A Fermi surface study of the ferromagnetic phase of CeSb is presented. The γ frequency branches arising from the electron surfaces at the X points, three separate frequency branches from the hole surfaces at the GAMMA point, and the low-frequency branch α have been observed. The effective mass ratios are low and range from approx.0.2 for the α branch to approx.1.0 for the high-frequency branch of γ. The low effective mass ratios suggest that the admixture of the conduction states with the f state is small. We have observed a drastic change in the appearance of the de Haas--van Alpen signal at the phase transition between the ferromagnetic and lower field antiferromagnetic phases: the low-frequency α oscillation suddenly disappears as the crystal enters the antiferromagnetic phase. By utilizing the change in the signal appearance, the transition field strength has been measured as a function of the field direction. The present experimental results particularly the origin of the α oscillation, are discussed in the light of the p-f mixing theory and recent band-structure calculations based on localized f orbitals

  8. Probabilistic fracture mechanics of nuclear structural components. Consideration of transition from embedded crack to surface crack

    International Nuclear Information System (INIS)

    Yagawa, Genki; Yoshimura, Shinobu; Kanto, Yasuhiro

    1998-01-01

    This paper describes a probabilistic fracture mechanics (PFM) analysis of aged nuclear reactor pressure vessel (RPV) material. New interpolation formulas are first derived for both embedded elliptical surface cracks and semi-elliptical surface cracks. To investigate effects of transition from embedded crack to surface crack in PFM analyses, one of PFM round-robin problems set by JSME-RC111 committee, i.e. 'aged RPV under normal and upset operating conditions' is solved, employing the interpolation formulas. (author)

  9. Water evaporation: a transition path sampling study.

    Science.gov (United States)

    Varilly, Patrick; Chandler, David

    2013-02-07

    We use transition path sampling to study evaporation in the SPC/E model of liquid water. On the basis of thousands of evaporation trajectories, we characterize the members of the transition state ensemble (TSE), which exhibit a liquid-vapor interface with predominantly negative mean curvature at the site of evaporation. We also find that after evaporation is complete, the distributions of translational and angular momenta of the evaporated water are Maxwellian with a temperature equal to that of the liquid. To characterize the evaporation trajectories in their entirety, we find that it suffices to project them onto just two coordinates: the distance of the evaporating molecule to the instantaneous liquid-vapor interface and the velocity of the water along the average interface normal. In this projected space, we find that the TSE is well-captured by a simple model of ballistic escape from a deep potential well, with no additional barrier to evaporation beyond the cohesive strength of the liquid. Equivalently, they are consistent with a near-unity probability for a water molecule impinging upon a liquid droplet to condense. These results agree with previous simulations and with some, but not all, recent experiments.

  10. Study of the phase transition dynamics of the L to H transition

    International Nuclear Information System (INIS)

    Moyer, R.A.; Rhodes, T.L.; Rettig, C.L.

    1997-12-01

    A highly radiating zone (MARFE) just above the divertor X-point has been used to access the marginal transition regime P sep ∼ P thres to study the existence of a critical point for the L to H transition. Phase transition models predict that at the critical point, the transition duration increases and the plasma parameters vary continuously between L-mode and H-mode. In these experiments, the L to H transition duration increased 50--100 times over fast transitions. However, the evolution of E r shear, edge density gradient, H-mode pedestal, and fluctuations is essentially unchanged from that in fast transitions. The only difference is in the speed with which and the degree to which the fluctuation amplitudes are transiently reduced. This difference is understandable in terms of the time scales for fluctuation amplitude reduction (≤ 100 micros) and edge pressure gradient increase (several ms), provided the edge fluctuations are pressure-gradient driven

  11. Trends in the Hydrodeoxygenation Activity and Selectivity of Transition Metal Surfaces

    DEFF Research Database (Denmark)

    Lausche, Adam C.; Falsig, Hanne; Jensen, Anker Degn

    2014-01-01

    This paper reports the use of a combination of density functional theory and microkinetic modelling to establish trends in the hydrodeoxygenation rates and selectivites of transition metal surfaces. Biomass and biomass-derived chemicals often contain large fractions of oxygenates. Removal...... of the oxygen through hydrotreating represents one strategy for producing commodity chemicals from these renewable materials. Using the model developed in this paper, we predict ethylene glycol hydrodeoxygenation selectivities for transition metals that are consistent with those reported in the literature...

  12. Transition absorption as a mechanism of surface photoelectron emission from metals

    DEFF Research Database (Denmark)

    Zhukovsky, Sergei; Protsenko, Igor E.; Ikhsanov, Renat Sh

    2015-01-01

    Transition absorption of a photon by an electron passingthrough a boundary between two media with different permit-tivities is described both classically and quantum mechani-cally. Transition absorption is shown to make a substantialcontribution to photoelectron emission at a metal....../semicon-ductor interface in nanoplasmonic systems, and is put forth asa possible microscopic mechanism of the surface photoelec-tric effect in photodetectors and solar cells containing plas-monic nanoparticles....

  13. Transit value capture coordination : case studies, best practices, and recommendations.

    Science.gov (United States)

    2015-02-17

    This study is based on the hypothesis that coordination between transit capital planners, municipal taxation authorities, and private developers and stakeholders can be a benefit to transit capital projects that choose to use value capture as a fundi...

  14. The Transit-Time Distribution from the Northern Hemisphere Midlatitude Surface

    Science.gov (United States)

    Orbe, Clara; Waugh, Darryn W.; Newman, Paul A.; Strahan, Susan; Steenrod, Stephen

    2015-01-01

    The distribution of transit times from the Northern Hemisphere (NH) midlatitude surface is a fundamental property of tropospheric transport. Here we present an analysis of the transit time distribution (TTD) since air last contacted the northern midlatitude surface layer, as simulated by the NASA Global Modeling Initiative Chemistry Transport Model. We find that throughout the troposphere the TTD is characterized by long flat tails that reflect the recirculation of old air from the Southern Hemisphere and results in mean ages that are significantly larger than the modal age. Key aspects of the TTD -- its mode, mean and spectral width -- are interpreted in terms of tropospheric dynamics, including seasonal shifts in the location and strength of tropical convection and variations in quasi-isentropic transport out of the northern midlatitude surface layer. Our results indicate that current diagnostics of tropospheric transport are insufficient for comparing model transport and that the full distribution of transit times is a more appropriate constraint.

  15. Numerical modeling of laboratory-scale surface-to-crown fire transition

    Science.gov (United States)

    Castle, Drew Clayton

    Understanding the conditions leading to the transition of fire spread from a surface fuel to an elevated (crown) fuel is critical to effective fire risk assessment and management. Surface fires that successfully transition to crown fires can be very difficult to suppress, potentially leading to damages in the natural and built environments. This is relevant to chaparral shrub lands which are common throughout parts of the Southwest U.S. and represent a significant part of the wildland urban interface. The ability of the Wildland-Urban Interface Fire Dynamic Simulator (WFDS) to model surface-to-crown fire transition was evaluated through comparison to laboratory experiments. The WFDS model is being developed by the U.S. Forest Service (USFS) and the National Institute of Standards and Technology. The experiments were conducted at the USFS Forest Fire Laboratory in Riverside, California. The experiments measured the ignition of chamise (Adenostoma fasciculatum) crown fuel held above a surface fire spreading through excelsior fuel. Cases with different crown fuel bulk densities, crown fuel base heights, and imposed wind speeds were considered. Cold-flow simulations yielded wind speed profiles that closely matched the experimental measurements. Next, fire simulations with only the surface fuel were conducted to verify the rate of spread while factors such as substrate properties were varied. Finally, simulations with both a surface fuel and a crown fuel were completed. Examination of specific surface fire characteristics (rate of spread, flame angle, etc.) and the corresponding experimental surface fire behavior provided a basis for comparison of the factors most responsible for transition from a surface fire to the raised fuel ignition. The rate of spread was determined by tracking the flame in the Smokeview animations using a tool developed for tracking an actual flame in a video. WFDS simulations produced results in both surface fire spread and raised fuel bed

  16. ΔM/sub j/ transitions in homonuclear molecule scattering off corrugated surfaces. Square and rectangular lattice symmetry and purely repulsive interaction

    International Nuclear Information System (INIS)

    Proctor, T.R.; Kouri, D.J.; Gerber, R.B.

    1984-01-01

    In this paper, we present the first formal and computational studies of Δm/sub j/ transitions occurring in homonuclear molecule-corrugated surface collisions. The model potential is a pairwise additive one which correctly incorporates the fact that Δm/sub j/ transitions occur only for corrugated surfaces (provided the quantization axis is chosen to be the average surface normal). The principal results are: (a) Δm/sub j/ transitions are extremely sensitive to lattice symmetry; (b) strong selection rules obtain for specular scattering; (c) the magnitude of Δm/sub j/ -transition probabilities are strongly sensitive to surface corrugation; (d) the Δm/sub j/ transitions depend strongly on diffraction peak; (e) the ratio of molecular length to lattice dimension (r/a) has a strong influence on the magnitude of Δm/sub j/ -transition probabilities [with the probabilities increasing as (r/a) increases]; (f) Δm/sub j/ rainbows are predicted to occur as a function of the (r/a) ratio increases; (g) Δm/sub j/ transitions and the Δm/sub j/ rainbow are expected to accompany Δj-rotational rainbows; (h) such magnetic transition rainbows accompanying Δj rainbows are suggested as an explanation of recent experimental observations of quenching of NO polarization for larger Δj transitions in NO/Ag(111) scattering

  17. CH-π Interaction Driven Macroscopic Property Transition on Smart Polymer Surface

    Science.gov (United States)

    Li, Minmin; Qing, Guangyan; Xiong, Yuting; Lai, Yuekun; Sun, Taolei

    2015-10-01

    Life systems have evolved to utilize weak noncovalent interactions, particularly CH-π interaction, to achieve various biofunctions, for example cellular communication, immune response, and protein folding. However, for artificial materials, it remains a great challenge to recognize such weak interaction, further transform it into tunable macroscopic properties and realize special functions. Here we integrate monosaccharide-based CH-π receptor capable of recognizing aromatic peptides into a smart polymer with three-component “Recognition-Mediating-Function” design, and report the CH-π interaction driven surface property switching on smart polymer film, including wettability, adhesion, viscoelasticity and stiffness. Detailed studies indicate that, the CH-π interaction induces the complexation between saccharide unit and aromatic peptide, which breaks the initial amphiphilic balance of the polymer network, resulting in contraction-swelling conformational transition for polymer chains and subsequent dramatic switching in surface properties. This work not only presents a new approach to control the surface property of materials, but also points to a broader research prospect on CH-π interaction at a macroscopic level.

  18. The Turbulent-Laminar Transition on the Rocket Surface During the Injection

    Directory of Open Access Journals (Sweden)

    I. I. Yurchenko

    2014-01-01

    Full Text Available The variety of turbulent-laminar transition criteria in such environments as the launch vehicle injection points to the essential influence of spherical nose roughness, which is included in one form or another in the critical Reynolds numbers for a lot of explorers of blunt bodies. Some of researchers of the reentry bodies have founded the correlation functions between the momentum thickness Reynolds number and Max number as the transition criteria.In this article we have considered results of flight tests carried out using launch vehicles to define boundary layer regime on the payload fairing surface. The measurements were carried out using specially designed complex of gages consisted of calorimeters, surface temperature gages, and pressure gages. The turbulent-laminar transition was defined in accordance with the sharp change of calorimeter readings and flow separation pressure gages indication.The universal criterion of turbulent-laminar transition has been identified for blunted payload fairings i.e. Reynolds number Reek based on the boundary layer edge parameters in the sonic point of the payload fairing spherical nose and surface roughness height k, which gives the best correlation of all data of flight experiment conducted to define turbulent-laminar transition in boundary layer. The criterion allows defining time margins when boundary layer regime is turbulent at Reek=20±14 existing on space head surfaces and at Reek=6±5 the boundary layer regime is totally laminar.It was defined that under conditions when there are jointly high background disturbances of free stream flux at operation of main launch vehicle engines and influence of the surface roughness the critical value of Reynolds number is an order-diminished value as compared to the values obtained in wind tunnels and in free flight.It was found that with decreasing of roughness influence in growing boundary layer the flow disturbances evolution wide apart the payload fairing

  19. Gifted Students in Transition: A Grounded Theory Study

    Science.gov (United States)

    Meadows, Jodi J.

    2017-01-01

    Gifted students in transition to college may be at risk for underachievement, difficult transition, or even attrition. Giftedness by itself is not always sufficient for academic success in college. The purpose of this grounded theory study was to construct a theory regarding the process of transition to college for high-achieving gifted high…

  20. Simulation of dynamic processes when machining transition surfaces of stepped shafts

    Science.gov (United States)

    Maksarov, V. V.; Krasnyy, V. A.; Viushin, R. V.

    2018-03-01

    The paper addresses the characteristics of stepped surfaces of parts categorized as "solids of revolution". It is noted that in the conditions of transition modes during the switch to end surface machining, there is cutting with varied load intensity in the section of the cut layer, which leads to change in cutting force, onset of vibrations, an increase in surface layer roughness, a decrease of size precision, and increased wear of a tool's cutting edge. This work proposes a method that consists in developing a CNC program output code that allows one to process complex forms of stepped shafts with only one machine setup. The authors developed and justified a mathematical model of a technological system for mechanical processing with consideration for the resolution of tool movement at the stages of transition processes to assess the dynamical stability of a system in the process of manufacturing stepped surfaces of parts of “solid of revolution” type.

  1. Surface evolution and stability transition of silicon wafer subjected to nano-diamond grinding

    Directory of Open Access Journals (Sweden)

    Shisheng Cai

    2017-03-01

    Full Text Available In order to obtain excellent physical properties and ultrathin devices, thinning technique plays an important role in semiconductor industry with the rapid development of wearable electronic devices. This study presents a physical nano-diamond grinding technique without any chemistry to obtain ultrathin silicon substrate. The nano-diamond with spherical shape repeats nano-cutting and penetrating surface to physically etch silicon wafer during grinding process. Nano-diamond grinding induces an ultrathin “amorphous layer” on silicon wafer and thus the mismatch strain between the amorphous layer and substrate leads to stability transition from the spherical to non-spherical deformation of the wafer. Theoretical model is proposed to predict and analyze the deformation of amorphous layer/silicon substrate system. Furthermore, the deformation bifurcation behavior of amorphous layer/silicon substrate system is analyzed. As the mismatch strain increases or thickness decreases, the amorphous layer/silicon substrate system may transit to non-spherical deformation, which is consistent to the experimental results. The amorphous layer stresses are also obtained to predict the damage of silicon wafer.

  2. Surface antiferromagnetism and incipient metal-insulator transition in strained manganite films

    KAUST Repository

    Cossu, Fabrizio; Colizzi, G.; Filippetti, A.; Fiorentini, Vincenzo; Schwingenschlö gl, Udo

    2013-01-01

    Using first-principles calculations, we show that the (001) surface of the ferromagnet La0.7Sr0.3MnO3 under an epitaxial compressive strain favors antiferromagnetic (AF) order in the surface layers, coexisting with ferromagnetic (FM) bulk order. Surface antiferromagnetism is accompanied by a very marked surface-related spectral pseudogap, signaling an incomplete metal-insulator transition at the surface. The different relaxation and rumpling of the MnO2 and LaO surface planes in the two competing magnetic phases cause distinct work-function changes, which are of potential diagnostic use. The AF phase is recognized as an extreme surface-assisted case of the combination of in-plane AF super-exchange and vertical FM double-exchange couplings that rules magnetism in manganites under in-plane compression.

  3. Surface antiferromagnetism and incipient metal-insulator transition in strained manganite films

    KAUST Repository

    Cossu, Fabrizio

    2013-06-21

    Using first-principles calculations, we show that the (001) surface of the ferromagnet La0.7Sr0.3MnO3 under an epitaxial compressive strain favors antiferromagnetic (AF) order in the surface layers, coexisting with ferromagnetic (FM) bulk order. Surface antiferromagnetism is accompanied by a very marked surface-related spectral pseudogap, signaling an incomplete metal-insulator transition at the surface. The different relaxation and rumpling of the MnO2 and LaO surface planes in the two competing magnetic phases cause distinct work-function changes, which are of potential diagnostic use. The AF phase is recognized as an extreme surface-assisted case of the combination of in-plane AF super-exchange and vertical FM double-exchange couplings that rules magnetism in manganites under in-plane compression.

  4. Modification of transition's factor in the compact surface-potential-based MOSFET model

    Directory of Open Access Journals (Sweden)

    Kevkić Tijana

    2016-01-01

    Full Text Available The modification of an important transition's factor which enables continual behavior of the surface potential in entire useful range of MOSFET operation is presented. The various modifications have been made in order to obtain an accurate and computationally efficient compact MOSFET model. The best results have been achieved by introducing the generalized logistic function (GL in fitting of considered factor. The smoothness and speed of the transition of the surface potential from the depletion to the strong inversion region can be controlled in this way. The results of the explicit model with this GL functional form for transition's factor have been verified extensively with the numerical data. A great agreement was found for a wide range of substrate doping and oxide thickness. Moreover, the proposed approach can be also applied on the case where quantum mechanical effects play important role in inversion mode.

  5. Scaling properties of adsorption energies for hydrogen-containing molecules on transition-metal surfaces

    DEFF Research Database (Denmark)

    Abild-Pedersen, Frank; Greeley, Jeffrey Philip; Studt, Felix

    2007-01-01

    Density functional theory calculations are presented for CHx, x=0,1,2,3, NHx, x=0,1,2, OHx, x=0,1, and SHx, x=0,1 adsorption on a range of close-packed and stepped transition-metal surfaces. We find that the adsorption energy of any of the molecules considered scales approximately with the adsorp...

  6. Scaling relationships for adsorption energies of C2 hydrocarbons on transition metal surfaces

    DEFF Research Database (Denmark)

    Jones, Glenn; Studt, Felix; Abild-Pedersen, Frank

    2011-01-01

    for AHx-type adsorbates to unsaturated hydrocarbons and establishes a coherent simplified description of saturated as well as unsaturated hydrocarbons adsorbed on transition metal surfaces. A number of potential applications are discussed. We apply the model to the dehydrogenation of ethane over pure...

  7. Reconstructing Sea Surface Conditions in the Bay of Bengal during the Mid-Pleistocene Transition

    Science.gov (United States)

    Lagos, A. D.; Dekens, P.; Reilly, B. T.; Selkin, P. A.; Meynadier, L.; Savian, J. F.

    2017-12-01

    During the Mid-Pleistocene Transition (MPT, 0.8-1.2Ma) Earth's glacial cycles transitioned from responding primarily to 41kyr obliquity cycles to responding to 100kyr eccentricity cycles. In the tropics, sea surface temperature (SST) in the eastern tropical Pacific cooled through the MPT, suggesting a strengthening of the equatorial Pacific zonal temperature gradient (Medina-Elizalde & Lea, 2005). The strong SST gradient would have intensified Walker Cell convection during the MPT and built up latent heat in the western Pacific, which could cause cold SST anomalies in the northern Indian Ocean (Liu et al., 2015). Due to a scarcity of records, it is unclear how climate and oceanic conditions evolved in the Indian Ocean during the MPT. A set of recent IODP expeditions, including 353 and 354, cored sediment from the Bay of Bengal. Several sites recovered by expedition 353 will be ideal for reconstructing monsoon intensity through time, while the expedition 354 cores from a longitudinal transect at 8°N are in a region not directly impacted by changes in freshwater input due to direct precipitation or run off. The sites are influenced by the northeastern migration of equatorial Indian Ocean water via the Southwest Monsoon Current, which supplies significant moisture to the monsoon. Expedition 354's southern Bay of Bengal sites are well situated for better understanding the link between the tropical Indian Ocean and the northern Bay of Bengal. We reconstructed sea surface conditions at IODP site 1452 (8°N, 87°E, 3670m water depth) in the distal Bengal Fan. A 3 meter long section of the core has been identified as the MPT using the Bruhnes/Matuyama, Jaramillo, and Cobb Mountain paleomagnetic reversals (France-Lanord et al., 2016). This section of site 1452 was sampled every 2cm ( 2kyr resolution). Approximately 30 G. sacculifer, a surface dwelling planktonic foraminifera, were picked from the 355-425μm size fraction. We measured Mg/Ca and δ18O on splits of the same

  8. Investigation of spin-reorientation phase transitions at surface and in volume of alpha-Fe sub 2 O sub 3 monocrystals

    CERN Document Server

    Kamzin, A S

    2002-01-01

    The magnetic structure of the surface layer and volume and the processes, observed by the spin-reorientation phase transition (SRPT), are studied in the direct comparison of the properties of the thin surface layer and the volume of the hematite (alpha-Fe sub 2 O sub 3) macroscopic crystals. The method of simultaneous gamma, X-ray and electron Moessbauer spectroscopy was used in the studies. The direct data on the existence of the transition layer on the hematite crystals surface are obtained. It is established, that the Morin-type SRPT in the sample volume occurs by a jump (the first-order phase transition). The SRPT in the surface layer as well as in the crystal volume is accompanied by formation of the intermediate state, wherein the low- and high-temperature phases coexist. The obtained experimental data on the SRPT mechanism in the surface layer agree well with the conclusions of the phenomenological theory

  9. Ab-initio study of surface segregation in aluminum alloys

    Energy Technology Data Exchange (ETDEWEB)

    Qin, Yifa, E-mail: yfqin10s@imr.ac.cn; Wang, Shaoqing

    2017-03-31

    Highlights: • A thorough study of surface segregation energies of 41 elements in Al is performed. • Segregation energies vary periodically with the atomic numbers of impurities. • 41 elements are classified into 3 groups according to the signs of segregation energies. • The results are validated by the surface/total concentration ratio in Al alloys. - Abstract: We have calculated surface segregation energies of 41 impurities by means of density functional theory calculations. An interesting periodical variation tendency was found for surface segregation energies derived. For the majority of main group elements, segregation energies are negative which means solute elements enrichment at Al surface is energetically more favorable than uniformly dissolution. Half of transition elements possess positive segregation energies and the energies are sensitive to surface crystallographic orientations. A strong correlation is found between the segregation energies at the Al surface and the surface energ of solute elements.

  10. Potential of public transit as a transportation control measure: Case studies

    Energy Technology Data Exchange (ETDEWEB)

    Sillings, M.

    1998-07-01

    This report is the final product of the Clean Air Project of the National Association of Regional Councils/NARC. It documents a nationwide study of transit projects and programs initiated in the wake of the 1990 Clean Air Act Amendments/CAAA and the Intermodal Surface Transportation Efficiency Act of 1991/ISTEA. The study purpose was to assess the experience, limitations, and value of public transit as a potential transportation control measure/TCM, i.e., generates significant air quality benefits by eliminating or reducing emissions from motor vehicles. Four in-depth case studies and six additional projects featured as innovations in transportation are offered as examples investigating the potential of transit as a TCM. These case studies and innovations highlight the efforts of ten metropolitan areas and transit agencies which have succeed in developing and implementing innovative transit strategies.

  11. Probabilistic fracture mechanics of nuclear structural components: consideration of transition from embedded crack to surface crack

    International Nuclear Information System (INIS)

    Yagawa, G.; Yoshimura, S.

    1999-01-01

    This paper describes a probabilistic fracture mechanics (PFM) analysis of aged nuclear reactor pressure vessel (RPV) material. New interpolation formulas of three-dimensional stress intensity factors are presented for both embedded elliptical surface cracks and semi-elliptical surface cracks. To investigate effects of transition from embedded crack to surface crack in PFM analyses, one of the PFM round-robin problems set by JSME-RC111 committee (i.e. aged RPV under normal and upset operating conditions) is solved, employing the interpolation formulas. (orig.)

  12. Numerical Study of Transition of an Annular Lift Fan Aircraft

    OpenAIRE

    Yun Jiang; Bo Zhang

    2016-01-01

    The present study aimed at studying the transition of annular lift fan aircraft through computational fluid dynamics (CFD) simulations. The oscillations of lift and drag, the optimization for the figure of merit, and the characteristics of drag, yawing, rolling and pitching moments in transition are studied. The results show that a two-stage upper and lower fan lift system can generate oscillations of lift and drag in transition, while a single-stage inner and outer fan lift system can elimin...

  13. Surface pH controls purple-to-blue transition of bacteriorhodopsin. A theoretical model of purple membrane surface.

    Science.gov (United States)

    Szundi, I; Stoeckenius, W

    1989-08-01

    We have developed a surface model of purple membrane and applied it in an analysis of the purple-to-blue color change of bacteriorhodopsin which is induced by acidification or deionization. The model is based on dissociation and double layer theory and the known membrane structure. We calculated surface pH, ion concentrations, charge density, and potential as a function of bulk pH and concentration of mono- and divalent cations. At low salt concentrations, the surface pH is significantly lower than the bulk pH and it becomes independent of bulk pH in the deionized membrane suspension. Using an experimental acid titration curve for neutral, lipid-depleted membrane, we converted surface pH into absorption values. The calculated bacteriohodopsin color changes for acidification of purple, and titrations of deionized blue membrane with cations or base agree well with experimental results. No chemical binding is required to reproduce the experimental curves. Surface charge and potential changes in acid, base and cation titrations are calculated and their relation to the color change is discussed. Consistent with structural data, 10 primary phosphate and two basic surface groups per bacteriorhodopsin are sufficient to obtain good agreement between all calculated and experimental curves. The results provide a theoretical basis for our earlier conclusion that the purple-to-blue transition must be attributed to surface phenomena and not to cation binding at specific sites in the protein.

  14. The Transit/Admission Lounge study.

    LENUS (Irish Health Repository)

    Gilligan, P

    2009-01-01

    In response to persistent overcrowding of Emergency Departments in Ireland, the Department of Health and Health Service Executive provided funding for "Transit Lounge" areas to be built. These lounges were to provide a location for patients to wait in beds pending the availability of a ward bed. This research was performed to assess the impact of such a lounge on the overcrowding of the Emergency Department and on patient outcomes. The time period from the opening of the Transit Lounge was compared with the same period a year earlier. The Transit Lounge delivers a comfortable place for patients to wait. It does not reduce Emergency Department overcrowding and has been associated with an increased time waiting for a ward bed. The solution to overcrowding is the creation of real capacity in the system so that ward beds are available in acute hospitals for the "unscheduled unwell".

  15. Antimicrobial activity of transition metal acid MoO3 prevents microbial growth on material surfaces

    International Nuclear Information System (INIS)

    Zollfrank, Cordt; Gutbrod, Kai; Wechsler, Peter; Guggenbichler, Josef Peter

    2012-01-01

    Serious infectious complications of patients in healthcare settings are often transmitted by materials and devices colonised by microorganisms (nosocomial infections). Current strategies to generate material surfaces with an antimicrobial activity suffer from the consumption of the antimicrobial agent and emerging multidrug-resistant pathogens amongst others. Consequently, materials surfaces exhibiting a permanent antimicrobial activity without the risk of generating resistant microorganisms are desirable. This publication reports on the extraordinary efficient antimicrobial properties of transition metal acids such as molybdic acid (H 2 MoO 4 ), which is based on molybdenum trioxide (MoO 3 ). The modification of various materials (e.g. polymers, metals) with MoO 3 particles or sol–gel derived coatings showed that the modified materials surfaces were practically free of microorganisms six hours after contamination with infectious agents. The antimicrobial activity is based on the formation of an acidic surface deteriorating cell growth and proliferation. The application of transition metal acids as antimicrobial surface agents is an innovative approach to prevent the dissemination of microorganisms in healthcare units and public environments. Highlights: ► The presented modifications of materials surfaces with MoO 3 are non-cytotoxic and decrease biofilm growth and bacteria transmission. ► The material is insensitive towards emerging resistances of bacteria. ► Strong potential to reduce spreading of infectious agents on inanimate surfaces.

  16. Deceleration-driven wetting transition of "gently" deposited drops on textured hydrophobic surfaces

    Science.gov (United States)

    Varanasi, Kripa; Kwon, Hyukmin; Paxson, Adam; Patankar, Neelesh

    2010-11-01

    Many applications of rough superhydrophobic surfaces rely on the presence of droplets in a Cassie state on the substrates. A well established understanding is that if sessile droplets are smaller than a critical size, then the large Laplace pressure induces wetting transition from a Cassie to a Wenzel state, i.e., the liquid impales the roughness grooves. Thus, larger droplets are expected to remain in the Cassie state. In this work we report a surprising wetting transition where even a "gentle" deposition of droplets on rough substrates lead to the transition of larger droplets to the Wenzel state. A hitherto unknown mechanism based on rapid deceleration is identified. It is found that modest amount of energy, during the deposition process, is channeled through rapid deceleration into high water hammer pressure which induces wetting transition. A new "phase" diagram is reported which shows that both large and small droplets can transition to Wenzel states due to the deceleration and Laplace mechanisms, respectively. This novel insight reveals for the first time that the attainment of a Cassie state is more restrictive than previous criteria based on the Laplace pressure transition mechanism.

  17. Cell surface glycan alterations in epithelial mesenchymal transition process of Huh7 hepatocellular carcinoma cell.

    Directory of Open Access Journals (Sweden)

    Shan Li

    Full Text Available BACKGROUND AND OBJECTIVE: Due to recurrence and metastasis, the mortality of Hepatocellular carcinoma (HCC is high. It is well known that the epithelial mesenchymal transition (EMT and glycan of cell surface glycoproteins play pivotal roles in tumor metastasis. The goal of this study was to identify HCC metastasis related differential glycan pattern and their enzymatic basis using a HGF induced EMT model. METHODOLOGY: HGF was used to induce HCC EMT model. Lectin microarray was used to detect the expression of cell surface glycan and the difference was validated by lectin blot and fluorescence cell lectin-immunochemistry. The mRNA expression levels of glycotransferases were determined by qRT-PCR. RESULTS: After HGF treatment, the Huh7 cell lost epithelial characteristics and obtained mesenchymal markers. These changes demonstrated that HGF could induce a typical cell model of EMT. Lectin microarray analysis identified a decreased affinity in seven lectins ACL, BPL, JAC, MPL, PHA-E, SNA, and SBA to the glycan of cell surface glycoproteins. This implied that glycan containing T/Tn-antigen, NA2 and bisecting GlcNAc, Siaα2-6Gal/GalNAc, terminal α or βGalNAc structures were reduced. The binding ability of thirteen lectins, AAL, LCA, LTL, ConA, NML, NPL, DBA, HAL, PTL II, WFL, ECL, GSL II and PHA-L to glycan were elevated, and a definite indication that glycan containing terminal αFuc and ± Sia-Le, core fucose, α-man, gal-β(α GalNAc, β1,6 GlcNAc branching and tetraantennary complex oligosaccharides structures were increased. These results were further validated by lectin blot and fluorescence cell lectin-immunochemistry. Furthermore, the mRNA expression level of Mgat3 decreased while that of Mgat5, FucT8 and β3GalT5 increased. Therefore, cell surface glycan alterations in the EMT process may coincide with the expression of glycosyltransferase. CONCLUSIONS: The findings of this study systematically clarify the alterations of cell surface

  18. Density functional theory studies of transition metal nanoparticles in catalysis

    DEFF Research Database (Denmark)

    Greeley, Jeffrey Philip; Rankin, Rees; Zeng, Zhenhua

    2013-01-01

    Periodic Density Functional Theory calculations are capable of providing powerful insights into the structural, energetics, and electronic phenomena that underlie heterogeneous catalysis on transition metal nanoparticles. Such calculations are now routinely applied to single crystal metal surfaces...... and to subnanometer metal clusters. Descriptions of catalysis on truly nanosized structures, however, are generally not as well developed. In this talk, I will illustrate different approaches to analyzing nanocatalytic phenomena with DFT calculations. I will describe case studies from heterogeneous catalysis...... and electrocatalysis, in which single crystal models are combined with Wulff construction-based ideas to produce descriptions of average nanocatalyst behavior. Then, I will proceed to describe explicitly DFT-based descriptions of catalysis on truly nanosized particles (

  19. New numerical method to study phase transitions and its applications

    International Nuclear Information System (INIS)

    Lee, Jooyoung; Kosterlitz, J.M.

    1991-11-01

    We present a powerful method of identifying the nature of transitions by numerical simulation of finite systems. By studying the finite size scaling properties of free energy barrier between competing states, we can identify unambiguously a weak first order transition even when accessible system sizes are L/ξ < 0.05 as in the five state Potts model in two dimensions. When studying a continuous phase transition we obtain quite accurate estimates of critical exponents by treating it as a field driven first order transition. The method has been successfully applied to various systems

  20. Reversible low adhesive to high adhesive superhydrophobicity transition on ZnO nanoparticle surfaces

    International Nuclear Information System (INIS)

    Li, Jian; Jing, Zhijiao; Yang, Yaoxia; Zha, Fei; Yan, Long; Lei, Ziqiang

    2014-01-01

    Superhydrophobic ZnO surfaces with water contact angle of 162° and sliding angle of 2° were fabricated successfully by spraying hydrophobic ZnO nanoparticle suspensions without limitations the shape and size of substrates. The as-prepared superhydrophobic ZnO surfaces are low adhesive and a water droplet easily rolls off with the surface slightly tilted. However, after being irradiated by UV light through a photomask, it becomes highly adhesive, on which a water droplet is firmly pinned without any movement. Further annealing the irradiated film, water droplets can roll off the surface again. Reversible transition between the low adhesive rolling state and high adhesive pinning state can be realized simply by UV illumination and heat treatment alternately. At the same time, the maximum adhesive force between the superhydrophobic ZnO surfaces and the water droplet changes from extreme low (∼5.1 μN) to very high (∼136.1 μN). When irradiated without a photomask, the surface became hydrophilic. Additionally, a water droplet can be transfered from the low adhesive superhydrophobic ZnO surfaces to the hydrophilic ZnO surfaces using the high adhesive superhydrophobic ZnO surfaces as a mechanical hand.

  1. Study of transition probabilities in 192Pt

    International Nuclear Information System (INIS)

    Roulet, C.; Sergolle, H.; Hubert, P.P.; Lindblad, T.

    1978-01-01

    The nucleus 192 Pt is Coulomb excited with 370 MeV 84 Kr projectiles. Levels up to spin 8 + (10 + ) in the ground band and up to 6 + in the γ-band are observed. The B(E2) values implied by the observed yields are compared with predictions of different nuclear models. Particular attention is paid to the ground band transition rates and the rotation-alignment model

  2. Temperature-mediated transition from Dyakonov-Tamm surface waves to surface-plasmon-polariton waves

    Science.gov (United States)

    Chiadini, Francesco; Fiumara, Vincenzo; Mackay, Tom G.; Scaglione, Antonio; Lakhtakia, Akhlesh

    2017-08-01

    The effect of changing the temperature on the propagation of electromagnetic surface waves (ESWs), guided by the planar interface of a homogeneous isotropic temperature-sensitive material (namely, InSb) and a temperature-insensitive structurally chiral material (SCM) was numerically investigated in the terahertz frequency regime. As the temperature rises, InSb transforms from a dissipative dielectric material to a dissipative plasmonic material. Correspondingly, the ESWs transmute from Dyakonov-Tamm surface waves into surface-plasmon-polariton waves. The effects of the temperature change are clearly observed in the phase speeds, propagation distances, angular existence domains, multiplicity, and spatial profiles of energy flow of the ESWs. Remarkably large propagation distances can be achieved; in such instances the energy of an ESW is confined almost entirely within the SCM. For certain propagation directions, simultaneous excitation of two ESWs with (i) the same phase speeds but different propagation distances or (ii) the same propagation distances but different phase speeds are also indicated by our results.

  3. Protein structural transition at negatively charged electrode surfaces. Effects of temperature and current density

    Czech Academy of Sciences Publication Activity Database

    Černocká, Hana; Ostatná, Veronika; Paleček, Emil

    2015-01-01

    Roč. 174, AUG 2015 (2015), s. 356-360 ISSN 0013-4686 R&D Projects: GA ČR(CZ) GAP301/11/2055; GA ČR(CZ) GA15-15479S; GA ČR(CZ) GA13-00956S Institutional support: RVO:68081707 Keywords : Bovine serum albumin * sensing of surface-attached protein stability * protein structural transition at Hg Subject RIV: BO - Biophysics Impact factor: 4.803, year: 2015

  4. Tuning the metal-insulator transition in manganite films through surface exchange coupling with magnetic nanodots.

    Science.gov (United States)

    Ward, T Z; Gai, Z; Xu, X Y; Guo, H W; Yin, L F; Shen, J

    2011-04-15

    In strongly correlated electronic systems, the global transport behavior depends sensitively on spin ordering. We show that spin ordering in manganites can be controlled by depositing isolated ferromagnetic nanodots at the surface. The exchange field at the interface is tunable with nanodot density and makes it possible to overcome dimensionality and strain effects in frustrated systems to greatly increasing the metal-insulator transition and magnetoresistance. These findings indicate that electronic phase separation can be controlled by the presence of magnetic nanodots.

  5. BEP-relations for N2 dissociation over stepped transition metal and alloy surfaces

    DEFF Research Database (Denmark)

    Fronczek-Munter, Ture Rønved; Bligaard, Thomas; Christensen, Claus H.

    2008-01-01

    , a perfectly linear Bronsted-Evans-Polanyi (BEP) relation between the transition-state potential energy and the dissociative chemisorption energy is obtained. The perfect BEP relation, which extends over 12 eV in chemisorption energy, suggests that the manifestation of BEP relations for surface reactions...... is a general electronic structure effect, and that geometric effects are responsible for the scatter which is normally observed around the BEP line. The BEP relation is also shown to be valid for both surface and bulk alloys. The scatter is, however, larger than for the pure elements. This can be understood...

  6. SURFACE LAYER ACCRETION IN CONVENTIONAL AND TRANSITIONAL DISKS DRIVEN BY FAR-ULTRAVIOLET IONIZATION

    International Nuclear Information System (INIS)

    Perez-Becker, Daniel; Chiang, Eugene

    2011-01-01

    Whether protoplanetary disks accrete at observationally significant rates by the magnetorotational instability (MRI) depends on how well ionized they are. Disk surface layers ionized by stellar X-rays are susceptible to charge neutralization by small condensates, ranging from ∼0.01 μm sized grains to angstrom-sized polycyclic aromatic hydrocarbons (PAHs). Ion densities in X-ray-irradiated surfaces are so low that ambipolar diffusion weakens the MRI. Here we show that ionization by stellar far-ultraviolet (FUV) radiation enables full-blown MRI turbulence in disk surface layers. Far-UV ionization of atomic carbon and sulfur produces a plasma so dense that it is immune to ion recombination on grains and PAHs. The FUV-ionized layer, of thickness 0.01-0.1 g cm -2 , behaves in the ideal magnetohydrodynamic limit and can accrete at observationally significant rates at radii ∼> 1-10 AU. Surface layer accretion driven by FUV ionization can reproduce the trend of increasing accretion rate with increasing hole size seen in transitional disks. At radii ∼<1-10 AU, FUV-ionized surface layers cannot sustain the accretion rates generated at larger distance, and unless turbulent mixing of plasma can thicken the MRI-active layer, an additional means of transport is needed. In the case of transitional disks, it could be provided by planets.

  7. Surface area, crystal morphology and characterization of transition alumina powders from a new gibbsite precursor

    Directory of Open Access Journals (Sweden)

    Antonio Carlos Vieira Coelho

    2007-06-01

    Full Text Available A new procedure was used to prepare a microcrystalline powder constituted by thin euhedral hexagonal gibbsite plates, 0.2 to 0.6 µm in diameter and 32 nm thick. The powder, fired between 200 and 1000 °C, produced chi and kappa transition aluminas. Alpha-alumina is formed from 1000 °C and recrystallized up to 1500 °C. At 1000 °C, kappa- and alpha-alumina coexisted, but kappa-alumina could only be characterized by SAED. The details of the internal organization of the transition alumina pseudomorphs were clearly observable in TEM due to the great thinness of the I-gibbsite plates. The specific surface area varied from pristine I-gibbsite (24.9 m².g-1 to chi- and kappa transition aluminas (25.4 m².g-1 at 1000 °C to alpha-alumina (4.0 m².g-1 at 1500 °C. The maximum value of specific surface area is 347 m².g-1 in chi-alumina powder at 300 °C, a difference from Bayer gibbsite, in which the chi-alumina highest surface area is 370 m².g-1 at 400 °C.

  8. TRANSIT

    Indian Academy of Sciences (India)

    First page Back Continue Last page Overview Graphics. TRANSIT. SYSTEM: DETERMINE 2D-POSITION GLOBALLY BUT INTERMITTENT (POST-FACTO). IMPROVED ACCURACY. PRINCIPLE: POLAR SATELLITES WITH INNOVATIONS OF: GRAVITY-GRADIENT ATTITUDE CONTROL; DRAG COMPENSATION. WORKS ...

  9. Transition from oxcarbazepine to eslicarbazepine acetate: A single center study.

    Science.gov (United States)

    Mäkinen, Jussi; Rainesalo, Sirpa; Peltola, Jukka

    2017-03-01

    There is limited clinical evidence for comparison between oxcarbazepine (OXC) and eslicarbazepine acetate (ESL) in terms of tolerability, or how to execute the change from OXC to ESL. We report the process of transitioning patients with focal epilepsy from previous OXC treatment to ESL due to tolerability problems. The rationale for change from OXC is reported, and the outcome with respective to this rationale is analyzed in terms of tolerability and efficacy. The subjects were transitioned overnight from OXC to ESL in a hospital inpatient setting. An evaluation of the effects of the transition was made after 1 and 3 months. All adverse events (AEs) were recorded following the transition period. Subjects were classified by outcome in terms of AEs. Twenty-three subjects were transitioned from OXC to ESL. Fifteen patients OXC-related AEs reduced significantly after transition. Particularly, most of (93%) the AEs presented in the morning resolved after transition to ESL. No patient had an increase in seizure frequency following the transition. The incidence of ESL-related AEs was 39% at 1 month and 13% at 3 month follow-up; however, all patients continued ESL throughout the study period. This study demonstrates that patients suffering from OXC-related AEs improve in terms of tolerability after a switch to ESL with maintaining seizure control. This improvement is more pronounced if the OXC-related AEs are most evident following morning dosing of OXC. Transition can be safely executed in an outpatient setting.

  10. Instability and Transition of Flow at, and Near, an Attachment-line - Including Control by Surface Suction

    Science.gov (United States)

    Smith, A.

    1996-01-01

    Advances in aviation during and following the Second World War led to an enormous improvement in the performance of aircraft. The push for enhanced efficiency brought cruise speeds into the transonic range, where the associated drag rise due to the appearance of shock-waves became a limiting factor. Wing sweep was adopted to delay the onset of this drag rise, but with this development came several new and unforeseen problems. Preliminary theoretical work assumed that the boundary layer transition characteristics of a swept wing would be subject to the independence principle, so the chordwise transition position could be predicted from two-dimensional work Gas turbine development has now reached a point where additional increases in efficiency are both difficult and expensive to achieve. Consequently, aircraft manufacturers are looking elsewhere for ways to reduce Direct Operating Costs (DOC's) or increase military performance. The attention of industry is currently focusing on Hybrid Laminar Flow Control (HLFC) as a possible method of reducing DOC's for civil aircraft. Following this study and discussions with NASA Langley and Boeing a different series of questions have been addressed in the present work. There are five areas of interest: Relaminarisation of the attachment-line boundary layer when the value of R exceeds 600. The effects of large suction levels on transition in the attachment-line boundary layer (ie critical oversuction). The transition characteristics of a relaminarised attachment-line flow which encounters a non-porous surface. The effect of attachment-line suction on the spanwise propagation of gross disturbances emanating from the wing-fuselage junction. The attachment-line transition caused by surface blowing.

  11. Theoretical studies of transition metal complexes with nitriles and isocyanides

    International Nuclear Information System (INIS)

    Kuznetsov, Maksim L

    2002-01-01

    Theoretical studies of transition metal complexes with nitriles and isocyanides are reviewed. The electronic structures and the nature of coordination bonds in these complexes are discussed. The correlation between the electronic structures of transition metal complexes with nitriles and isocyanides and their structural properties, spectroscopic characteristics, and reactivities are considered. The bibliography includes 121 references.

  12. Finite Element Method Analysis of An Out Flow With Free Surface In Transition Zones

    Science.gov (United States)

    Saoula, R. Iddir S.; Mokhtar, K. Ait

    The object of this work is to present this part of the fluid mechanics that relates to out-flows of the fluid to big speeds in transitions. Results usually gotten by the classic processes can only have a qualitative aspect. The method fluently used for the count of these out-flows to big speeds is the one of characteristics, this approach remains interesting so much that doesn't appear within the out-flow of intersections of shock waves, as well as of reflections of these. In the simple geometry case, the method of finite differences satisfying result, But when the complexity of this geometry imposes itself, it is the method of finite elements that is proposed to solve this type of prob- lem, in particular for problems Trans critic. The goal of our work is to analyse free surface flows in channels no prismatic has oblong transverse section in zone of tran- sition. (Convergent, divergent). The basic mathematical model of this study is Saint Venant derivatives partial equations. To solve these equations we use the finite ele- ment method, the element of reference is the triangular element with 6 nodes which are quadratic in speed and linear in height (pressure). Our results and their obtains by others are very close to experimental results.

  13. Older Persons’ Transitions in Care (OPTIC: a study protocol

    Directory of Open Access Journals (Sweden)

    Cummings Greta G

    2012-12-01

    Full Text Available Abstract Background Changes in health status, triggered by events such as infections, falls, and geriatric syndromes, are common among nursing home (NH residents and necessitate transitions between NHs and Emergency Departments (EDs. During transitions, residents frequently experience care that is delayed, unnecessary, not evidence-based, potentially unsafe, and fragmented. Furthermore, a high proportion of residents and their family caregivers report substantial unmet needs during transitions. This study is part of a program of research whose overall aim is to improve quality of care for frail older adults who reside in NHs. The purpose of this study is to identify successful transitions from multiple perspectives and to identify organizational and individual factors related to transition success, in order to inform improvements in care for frail elderly NH residents during transitions to and from acute care. Specific objectives are to: 1. define successful and unsuccessful elements of transitions from multiple perspectives; 2. develop and test a practical tool to assess transition success; 3. assess transition processes in a discrete set of transfers in two study sites over a one year period; 4. assess the influence of organizational factors in key practice locations, e.g., NHs, emergency medical services (EMS, and EDs, on transition success; and 5. identify opportunities for evidence-informed management and quality improvement decisions related to the management of NH – ED transitions. Methods/Design This is a mixed-methods observational study incorporating an integrated knowledge translation (IKT approach. It uses data from multiple levels (facility, care unit, individual and sources (healthcare providers, residents, health records, and administrative databases. Discussion Key to study success is operationalizing the IKT approach by using a partnership model in which the OPTIC governance structure provides for team decision-makers and

  14. 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.

  15. 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.

  16. Tile Surface Thermocouple Measurement Challenges from the Orbiter Boundary Layer Transition Flight Experiment

    Science.gov (United States)

    Campbell, Charles H.; Berger, Karen; Anderson, Brian

    2012-01-01

    Hypersonic entry flight testing motivated by efforts seeking to characterize boundary layer transition on the Space Shuttle Orbiters have identified challenges in our ability to acquire high quality quantitative surface temperature measurements versus time. Five missions near the end of the Space Shuttle Program implemented a tile surface protuberance as a boundary layer trip together with tile surface thermocouples to capture temperature measurements during entry. Similar engineering implementations of these measurements on Discovery and Endeavor demonstrated unexpected measurement voltage response during the high heating portion of the entry trajectory. An assessment has been performed to characterize possible causes of the issues experienced during STS-119, STS-128, STS-131, STS-133 and STS-134 as well as similar issues encountered during other orbiter entries.

  17. Interplay of radiative and nonradiative transitions in surface hopping with radiation-molecule interactions

    Energy Technology Data Exchange (ETDEWEB)

    Bajo, Juan José [Departamento de Química-Física I, Universidad Complutense de Madrid, 28040 Madrid (Spain); Granucci, Giovanni, E-mail: giovanni.granucci@unipi.it; Persico, Maurizio [Università di Pisa, Dipartimento di Chimica e Chimica Industriale, via Risorgimento 35, 56126 Pisa (Italy)

    2014-01-28

    We implemented a method for the treatment of field induced transitions in trajectory surface hopping simulations, in the framework of the local diabatization scheme, especially suited for on-the-fly dynamics. The method is applied to a simple one-dimensional model with an avoided crossing and compared with quantum wavepacket dynamics. The results show the importance of introducing a proper decoherence correction to surface hopping, in order to obtain meaningful results. Also the energy conservation policy of standard surface hopping must be revised: in fact, the quantum wavepacket energetics is well reproduced if energy absorption/emission is allowed for in the hops determined by radiation-molecule coupling. To our knowledge, this is the first time the issues of decoherence and energy conservation have been analyzed in depth to devise a mixed quantum-classical method for dynamics with molecule-field interactions.

  18. Surface structure determinations of crystalline ionic thin films grown on transition metal single crystal surfaces by low energy electron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Roberts, Joel Glenn [Univ. of California, Berkeley, CA (United States)

    2000-05-01

    The surface structures of NaCl(100), LiF(100) and alpha-MgCl2(0001) adsorbed on various metal single crystals have been determined by low energy electron diffraction (LEED). Thin films of these salts were grown on metal substrates by exposing the heated metal surface to a molecular flux of salt emitted from a Knudsen cell. This method of investigating thin films of insulators (ionic salts) on a conducting substrate (metal) circumvents surface charging problems that plagued bulk studies, thereby allowing the use of electron-based techniques to characterize the surface.

  19. Energy Transition in the Nebular City: Connecting Transition Thinking, Metabolism Studies, and Urban Design

    Directory of Open Access Journals (Sweden)

    Griet Juwet

    2018-03-01

    Full Text Available Transforming urban infrastructures is an essential part of creating more sustainable urban regions. But rethinking these complex systems requires a better understanding of their spatial dimensions and their relation with urban morphology and spatial structure. This paper addresses that gap by examining different conceptualizations of technical infrastructure and space in science, technology and society studies (STS, transition thinking, urban metabolism studies, and urban political ecology, and draws connections with the spatial perspective of urban planning and design. It illustrates and tests these concepts through the case of energy transition in the Flemish region of Belgium. Transport and supply networks have played a crucial role in facilitating, structuring, and reproducing the region’s characteristic dispersed and energy-intensive urban landscape. Bringing different disciplinary perspectives together, the research broadens the conceptualization of the spatial dimension in transition thinking, and identifies useful concepts and design parameters for urban design to engage with the technical and socio-political complexity of transforming urban infrastructure. It reveals the energy transition as an inherently spatial project, and explores the spatially and socio-politically transformative potential of the transition towards a new energy system.

  20. Phase Transitions on Surfaces. An International Conference. Abstracts and Program, 3-7 August 1981, Orono, Maine.

    Science.gov (United States)

    1982-04-16

    P. J. Estrup Chemisorption-Induced Phase Transitions and Adatom Interactions on GaAs(110) P. Skeath, C. Y. Su, P. W. Chye , I. Lindau and W. E. Spicer...Transitions and Adatom Interactions on GaAs(ll0)* Perry Skeath, C. Y. Su, P. W. Chye , I Lindau, and W. E. Spicer Stanford Electronics Labs Stanford...ORDER PHASE TRANSITIONS* P. KLEBAN and CHIN -KUN HU, Department of Physics and Astronomy and Laboratory for Surface Science and Technology University of

  1. Studying the Adhesion Force and Glass Transition of Thin Polystyrene Films by Atomic Force Microscopy

    DEFF Research Database (Denmark)

    Kang, Hua; Qian, Xiaoqin; Guan, Li

    2018-01-01

    microscopy (AFM)-based forcedistance curve to study the relaxation dynamics and the film thickness dependence of glass transition temperature (T-g) for normal thin polystyrene (PS) films supported on silicon substrate. The adhesion force (F-ad) between AFM tip and normal thin PS film surfaces...

  2. Numerical Study of Transition of an Annular Lift Fan Aircraft

    Directory of Open Access Journals (Sweden)

    Yun Jiang

    2016-09-01

    Full Text Available The present study aimed at studying the transition of annular lift fan aircraft through computational fluid dynamics (CFD simulations. The oscillations of lift and drag, the optimization for the figure of merit, and the characteristics of drag, yawing, rolling and pitching moments in transition are studied. The results show that a two-stage upper and lower fan lift system can generate oscillations of lift and drag in transition, while a single-stage inner and outer fan lift system can eliminate the oscillations. The characteristics of momentum drag of the single-stage fans in transition are similar to that of the two-stage fans, but with the peak of drag lowered from 0.63 to 0.4 of the aircraft weight. The strategy to start transition from a negative angle of attack −21° further reduces the peak of drag to 0.29 of the weight. The strategy also reduces the peak of pitching torque, which needs upward extra thrusts of 0.39 of the weight to eliminate. The peak of rolling moment in transition needs differential upward thrusts of 0.04 of the weight to eliminate. The requirements for extra thrusts in transition lead to a total thrust–weight ratio of 0.7, which makes the aircraft more efficient for high speed cruise flight (higher than 0.7 Ma.

  3. Radionuclide Esophageal Transit Study in the Esophageal Motility Disorders

    Energy Technology Data Exchange (ETDEWEB)

    Choi, Jae Gol; Lee, Min Jae; Song, Chi Wook [Korea University College of Medicine, Seoul (Korea, Republic of)

    1993-07-15

    Esophageal motility was evaluated from the analysis of 10 consecutive swallows using liquid bolus containing 0.5 mCi of {sup 99m}Tc tin colloid. We have reviewed our experience of esophageal transit study in the 20 normal volunteers and 55 patients with dysphagia that was not related to mechanical obstruction. The purpose of this study is to measure the esophageal transit in normal subjects and in patients with various esophageal motility disorders. The overall sensitivity and specificity of radionuclide esophageal transit study in detecting esophageal motor abnormality were compared with manometric results as a gold standard, which were 80% and 100% respectively. Radionuclide transit study is a safe, rapid, noninvasive test and suitable as a screening test for esophageal motor disorders.

  4. Radionuclide Esophageal Transit Study in the Esophageal Motility Disorders

    International Nuclear Information System (INIS)

    Choi, Jae Gol; Lee, Min Jae; Song, Chi Wook

    1993-01-01

    Esophageal motility was evaluated from the analysis of 10 consecutive swallows using liquid bolus containing 0.5 mCi of 99m Tc tin colloid. We have reviewed our experience of esophageal transit study in the 20 normal volunteers and 55 patients with dysphagia that was not related to mechanical obstruction. The purpose of this study is to measure the esophageal transit in normal subjects and in patients with various esophageal motility disorders. The overall sensitivity and specificity of radionuclide esophageal transit study in detecting esophageal motor abnormality were compared with manometric results as a gold standard, which were 80% and 100% respectively. Radionuclide transit study is a safe, rapid, noninvasive test and suitable as a screening test for esophageal motor disorders.

  5. The impact of surface geometry, cavitation, and condensation on wetting transitions: posts and reentrant structures

    Science.gov (United States)

    Panter, J. R.; Kusumaatmaja, H.

    2017-03-01

    The fundamental impacts of surface geometry on the stability of wetting states, and the transitions between them are elucidated for square posts and reentrant structures in three dimensions. We identify three principal outcomes of particular importance for future surface design of liquid-repellent surfaces. Firstly, we demonstrate and quantify how capillary condensation and vapour cavitation affect wetting state stabilities. At high contact angles, cavitation is enhanced about wide, closely-spaced square posts, leading to the existence of suspended states without an associated collapsed state. At low contact angles, narrow reentrant pillars suppress condensation and enable the suspension of even highly wetting liquids. Secondly, two distinct collapse mechanisms are observed for 3D reentrant geometries, base contact and pillar contact, which are operative at different pillar heights. As well as morphological differences in the interface of the penetrating liquid, each mechanism is affected differently by changes in the contact angle with the solid. Finally, for highly-wetting liquids, condensates are shown to critically modify the transition pathways in both the base contact and pillar contact modes.

  6. SFG and AFM Studies of Polymer Surface Monolayers

    Science.gov (United States)

    Somorjai, Gabor A.

    2003-03-01

    Sum frequency generation vibrational spectroscopy and atomic force microscopy techniques were utilized to study the structure and composition of polymer surfaces ranging from polyethylene and polypropylene to copolymers of polyurethane and polystyrene. The surface methyl groups aligned perpendicular to the surface above the glass transition temperature of polypropylene. Large side groups such as the phenyl group on polystyrene is also near the surface normal at the polymer-air interface. At the air interface hydrophobic groups are dominant on the polymer surface while at solid-water interface hydrophilic groups segregate to the surface. Minimizing surface energy is the cause of readjusting the surface composition at polymer-water interfaces as compared to polymer-air interfaces. Upon stretching the soft component of two-component polymer systems segregates to the surface and both the surface structure and the surface composition undergo reversible or irreversible changes depending on the magnitude of the stretch. Since the heart beat forces bio-polymers to stretch over 40 million times a year the molecular behavior due to stretching has important physiological consequences.

  7. A method for the experimental determination of surface photoemission core-level shifts for 3d transition metals

    NARCIS (Netherlands)

    Shamsutdinov, N.R.; Sloof, W.G.; Böttger, A.J.

    2005-01-01

    A method is presented to determine the photoelectron surface core-level shift (SCLS) of 3d transition metals using x-ray photoelectron spectroscopy. The experimental difficulties arising from the relatively large broadening of photoemission lines in the 3d transition series can be overcome by the

  8. The transition from regular to irregular motions, explained as travel on Riemann surfaces

    International Nuclear Information System (INIS)

    Calogero, F; Santini, P M; Gomez-Ullate, D; Sommacal, M

    2005-01-01

    We introduce and discuss a simple Hamiltonian dynamical system, interpretable as a three-body problem in the (complex) plane and providing the prototype of a mechanism explaining the transition from regular to irregular motions as travel on Riemann surfaces. The interest of this phenomenology-illustrating the onset in a deterministic context of irregular motions-is underlined by its generality, suggesting its eventual relevance to understand natural phenomena and experimental investigations. Here only some of our main findings are reported, without detailing their proofs: a more complete presentation will be published elsewhere

  9. Scintigraphic colonic transit study in children with chronic constipation

    International Nuclear Information System (INIS)

    Yano, Tsunehiro; Uemura, Sadashige; Nakaoka, Tatsuo; Nakagawa, Yoshikiyo; Tanimoto, Terutaka; Sone, Teruki

    2008-01-01

    Chronic constipation can be caused either by slow colonic transit or by functional fecal retention. The treatment strategy for chronic constipation should be based on its etiology. Scintigraphic colonic transit study (SCTS) is useful for dividing the cause of the constipation into slow colonic transit and functional fecal retention. SCTS is also useful for judging the therapeutic effect and postoperative intestinal motility of Hirschsprung's disease, anorectal molformation, and others. As SCTS is a safe, simple, and painless examination, it is one of the most important examinations in evaluating chronic constipation. (author)

  10. Acoustic receptivity and transition modeling of Tollmien-Schlichting disturbances induced by distributed surface roughness

    Science.gov (United States)

    Raposo, Henrique; Mughal, Shahid; Ashworth, Richard

    2018-04-01

    Acoustic receptivity to Tollmien-Schlichting waves in the presence of surface roughness is investigated for a flat plate boundary layer using the time-harmonic incompressible linearized Navier-Stokes equations. It is shown to be an accurate and efficient means of predicting receptivity amplitudes and, therefore, to be more suitable for parametric investigations than other approaches with direct-numerical-simulation-like accuracy. Comparison with the literature provides strong evidence of the correctness of the approach, including the ability to quantify non-parallel flow effects. These effects are found to be small for the efficiency function over a wide range of frequencies and local Reynolds numbers. In the presence of a two-dimensional wavy-wall, non-parallel flow effects are quite significant, producing both wavenumber detuning and an increase in maximum amplitude. However, a smaller influence is observed when considering an oblique Tollmien-Schlichting wave. This is explained by considering the non-parallel effects on receptivity and on linear growth which may, under certain conditions, cancel each other out. Ultimately, we undertake a Monte Carlo type uncertainty quantification analysis with two-dimensional distributed random roughness. Its power spectral density (PSD) is assumed to follow a power law with an associated uncertainty following a probabilistic Gaussian distribution. The effects of the acoustic frequency over the mean amplitude of the generated two-dimensional Tollmien-Schlichting waves are studied. A strong dependence on the mean PSD shape is observed and discussed according to the basic resonance mechanisms leading to receptivity. The growth of Tollmien-Schlichting waves is predicted with non-linear parabolized stability equations computations to assess the effects of stochasticity in transition location.

  11. Study of the Transition Flow Regime using Monte Carlo Methods

    Science.gov (United States)

    Hassan, H. A.

    1999-01-01

    This NASA Cooperative Agreement presents a study of the Transition Flow Regime Using Monte Carlo Methods. The topics included in this final report are: 1) New Direct Simulation Monte Carlo (DSMC) procedures; 2) The DS3W and DS2A Programs; 3) Papers presented; 4) Miscellaneous Applications and Program Modifications; 5) Solution of Transitional Wake Flows at Mach 10; and 6) Turbulence Modeling of Shock-Dominated Fows with a k-Enstrophy Formulation.

  12. Doubly Reentrant Cavities Prevent Catastrophic Wetting Transitions on Intrinsically Wetting Surfaces

    KAUST Repository

    Domingues, Eddy

    2017-06-05

    Omniphobic surfaces, i.e. which repel all known liquids, have proven of value in applications ranging from membrane distillation to underwater drag reduction. A limitation of currently employed omniphobic surfaces is that they rely on perfluorinated coatings, increasing cost and environmental impact, and preventing applications in harsh environments. There is, thus, a keen interest in rendering conventional materials, such as plastics, omniphobic by micro/nano-texturing rather than via chemical make-up, with notable success having been achieved for silica surfaces with doubly reentrant micropillars. However, we found a critical limitation of microtextures comprising of pillars that they undergo catastrophic wetting transitions (apparent contact angles, θr → 0° from θr > 90°) in the presence of localized physical damages/defects or on immersion in wetting liquids. In response, a doubly reentrant cavity microtexture is introduced, which can prevent catastrophic wetting transitions in the presence of localized structural damage/defects or on immersion in wetting liquids. Remarkably, our silica surfaces with doubly reentrant cavities could exhibited apparent contact angles, θr ≈ 135° for mineral oil, where the intrinsic contact angle, θo ≈ 20°. Further, when immersed in mineral oil or water, doubly reentrant microtextures in silica (θo ≈ 40° for water) were not penetrated even after several days of investigation. Thus, microtextures comprising of doubly reentrant cavities might enable applications of conventional materials without chemical modifications, especially in scenarios that are prone to localized damages or immersion in wetting liquids, e.g. hydrodynamic drag reduction and membrane distillation.

  13. A sharp interface method for compressible liquid–vapor flow with phase transition and surface tension

    Energy Technology Data Exchange (ETDEWEB)

    Fechter, Stefan, E-mail: stefan.fechter@iag.uni-stuttgart.de [Institut für Aerodynamik und Gasdynamik, Universität Stuttgart, Pfaffenwaldring 21, 70569 Stuttgart (Germany); Munz, Claus-Dieter, E-mail: munz@iag.uni-stuttgart.de [Institut für Aerodynamik und Gasdynamik, Universität Stuttgart, Pfaffenwaldring 21, 70569 Stuttgart (Germany); Rohde, Christian, E-mail: Christian.Rohde@mathematik.uni-stuttgart.de [Institut für Angewandte Analysis und Numerische Simulation, Universität Stuttgart, Pfaffenwaldring 57, 70569 Stuttgart (Germany); Zeiler, Christoph, E-mail: Christoph.Zeiler@mathematik.uni-stuttgart.de [Institut für Angewandte Analysis und Numerische Simulation, Universität Stuttgart, Pfaffenwaldring 57, 70569 Stuttgart (Germany)

    2017-05-01

    The numerical approximation of non-isothermal liquid–vapor flow within the compressible regime is a difficult task because complex physical effects at the phase interfaces can govern the global flow behavior. We present a sharp interface approach which treats the interface as a shock-wave like discontinuity. Any mixing of fluid phases is avoided by using the flow solver in the bulk regions only, and a ghost-fluid approach close to the interface. The coupling states for the numerical solution in the bulk regions are determined by the solution of local two-phase Riemann problems across the interface. The Riemann solution accounts for the relevant physics by enforcing appropriate jump conditions at the phase boundary. A wide variety of interface effects can be handled in a thermodynamically consistent way. This includes surface tension or mass/energy transfer by phase transition. Moreover, the local normal speed of the interface, which is needed to calculate the time evolution of the interface, is given by the Riemann solution. The interface tracking itself is based on a level-set method. The focus in this paper is the description of the two-phase Riemann solver and its usage within the sharp interface approach. One-dimensional problems are selected to validate the approach. Finally, the three-dimensional simulation of a wobbling droplet and a shock droplet interaction in two dimensions are shown. In both problems phase transition and surface tension determine the global bulk behavior.

  14. 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.

  15. Establishing Antibacterial Multilayer Films on the Surface of Direct Metal Laser Sintered Titanium Primed with Phase-Transited Lysozyme

    Science.gov (United States)

    Guan, Binbin; Wang, Haorong; Xu, Ruiqing; Zheng, Guoying; Yang, Jie; Liu, Zihao; Cao, Man; Wu, Mingyao; Song, Jinhua; Li, Neng; Li, Ting; Cai, Qing; Yang, Xiaoping; Li, Yanqiu; Zhang, Xu

    2016-11-01

    Direct metal laser sintering is a technology that allows the fabrication of titanium (Ti) implants with a functional gradation of porosity and surface roughness according to three-dimensional (3D) computer data. The surface roughness of direct metal laser sintered titanium (DMLS-Ti) implants may provide abundant binding sites for bacteria. Bacterial colonization and subsequent biofilm formation can cause unsatisfactory cell adhesion and implant-related infections. To prevent such infections, a novel phase-transited lysozyme (PTL) was utilized as an initial functional layer to simply and effectively prime DMLS-Ti surfaces for subsequent coating with antibacterial multilayers. The purpose of the present study was to establish a surface with dual biological functionality. The minocycline-loaded polyelectrolyte multilayers of hyaluronic acid (HA) and chitosan (CS) formed via a layer-by-layer (LbL) self-assembly technique on PTL-functionalized DMLS-Ti were designed to inhibit pathogenic microbial infections while allowing the DMLS-Ti itself and the modified coatings to retain acceptable biocompatibility. The experimental results indicate that the DMLS-Ti and the hydrogel treated surfaces can inhibit early bacterial adhesion while completely preserving osteoblast functions. This design is expected to gain considerable interest in the medical field and to have good potential for applications in multifunctional DMLS-Ti implants.

  16. Establishing Antibacterial Multilayer Films on the Surface of Direct Metal Laser Sintered Titanium Primed with Phase-Transited Lysozyme.

    Science.gov (United States)

    Guan, Binbin; Wang, Haorong; Xu, Ruiqing; Zheng, Guoying; Yang, Jie; Liu, Zihao; Cao, Man; Wu, Mingyao; Song, Jinhua; Li, Neng; Li, Ting; Cai, Qing; Yang, Xiaoping; Li, Yanqiu; Zhang, Xu

    2016-11-08

    Direct metal laser sintering is a technology that allows the fabrication of titanium (Ti) implants with a functional gradation of porosity and surface roughness according to three-dimensional (3D) computer data. The surface roughness of direct metal laser sintered titanium (DMLS-Ti) implants may provide abundant binding sites for bacteria. Bacterial colonization and subsequent biofilm formation can cause unsatisfactory cell adhesion and implant-related infections. To prevent such infections, a novel phase-transited lysozyme (PTL) was utilized as an initial functional layer to simply and effectively prime DMLS-Ti surfaces for subsequent coating with antibacterial multilayers. The purpose of the present study was to establish a surface with dual biological functionality. The minocycline-loaded polyelectrolyte multilayers of hyaluronic acid (HA) and chitosan (CS) formed via a layer-by-layer (LbL) self-assembly technique on PTL-functionalized DMLS-Ti were designed to inhibit pathogenic microbial infections while allowing the DMLS-Ti itself and the modified coatings to retain acceptable biocompatibility. The experimental results indicate that the DMLS-Ti and the hydrogel treated surfaces can inhibit early bacterial adhesion while completely preserving osteoblast functions. This design is expected to gain considerable interest in the medical field and to have good potential for applications in multifunctional DMLS-Ti implants.

  17. Evidence of a Transition Layer between the Free Surface and the Bulk

    KAUST Repository

    Ogieglo, Wojciech

    2018-02-21

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

  18. Evidence of a Transition Layer between the Free Surface and the Bulk

    KAUST Repository

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

    2018-01-01

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

  19. Evidence of a Transition Layer between the Free Surface and the Bulk.

    Science.gov (United States)

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

    2018-03-15

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

  20. Inuit Health in Transition: the Nuka study

    DEFF Research Database (Denmark)

    Bjerregaard, Peter

    biological samples. The studies in Nunavik and Greenland are not identical but share protocols on diabetes, heart disease, diet, smoking, social capital, self rated health, gambling and many other topics. The study is being geographically expanded to cover also Nunavut, Labrador and East Greenland......, and comparable studies have yielded data from Alaska Natives and Norwegian Sami. A number of researchers will present results from the study at this meeting and we shall hear a lot about the link between diet and health. I will take one step back and look at the social determinants of dietary patterns...... in Greenland in a life course perspective. First different ways to determine dietary patterns will be examined; then the association of parents' background, childhood conditions, education, place of residence, job and wealth with diet will be analysed. Finally, the association of diet with other determinants...

  1. Study abroad: perspectives on transitions to adulthood

    OpenAIRE

    Nielsen, Katherine

    2014-01-01

    The Irish immrama literary style seems the most appropriate way to represent student narratives based on their study abroad experiences in Ireland. The chapters containing the\\ud immrama of students are an ethnographic experiment in which the reflexivity students demonstrated through the interview process is presented in narrative form. This writing style provides the context for the examination of issues related to academic aspirations, professional, and personal wandering, and how study abr...

  2. Gallium colonic transit study patterns in obstructive defecation

    International Nuclear Information System (INIS)

    Bartholomeusz, F.D.L.; Sun, W.M.; Gaffney, R.; Ganesananthan, S.

    1999-01-01

    Full text: Idiopathic constipation may be due to delayed colonic transit or ano-rectal dysfunction and obstructive defecation. The aim of this study was to relate patterns of colonic transit to results of ano-rectal manometry. Sixteen patients (4 males, 12 females, age 20-58 years) were studied. All underwent ano-rectal manometric studies and colonic transit studies. The transit studies were performed following the oral ingestion of 4 MBq 67 Gacitrate with images performed at 6, 24, 48 and 72 h. Computed data on half clearance times (T 1/2 ), mean activity positions (MAP) and segmental tracer retention were obtained. Five patients had normal ano-rectal manometry, 7 decreased rectal sensation and 4 absent or paradoxical ano-rectal reflex (anismus). The T 1/2 for subjects with normal manometry was 78.5 ± 11.9 h, decreased rectal sensation 73 ± 4.9 h and the anismus group 52 ± 12.1 h (P < 0.05). Total retention at 72 h was less at 56 ± 3.73 h in the anismus group compared to normal manometry (74.7 ± 12.2) and decreased rectal sensation (90.7 ± 12.1), with higher MAP and less tracer in the right colon at 48 h in the anismus group (P < 0.05). The results indicate that colonic transit studies in constipated patients with anismus have different patterns to those with normal anorectal manometry or decreased rectal sensation

  3. Zanclean/Piacenzian transition on Cyprus (SE Mediterranean): calcareous nannofossil and Sea Surface Temperatures evidence of sapropel formation

    Science.gov (United States)

    Athanasiou, Maria; Triantaphyllou, Maria; Bouloubassi, Ioanna; Dimiza, Margarita; Gogou, Alexandra; Klein, Vincent; Parinos, Constantine; Theodoroyu, George

    2016-04-01

    Quantitative analyses of calcareous nannofossils in the sediments of Pissouri South section on the island of Cyprus have produced a paleoceanographic record reflecting the paleoclimatic conditions during Zanclean/Piacenzian transition. According to the performed calcareous nannofossil biostratigraphy the studied section is correlated with MNN14/15 and MNN16 calcareous nannofossil biozones and is astronomically dated between 4.065 and 3.217 Ma. Intervals of increased organic carbon content along with the positive values of Florisphaera profunda, Helicosphaera sellii, Discoaster spp. and the subsequent increase of stratification S-index correspond to the sapropel deposition during periods of wetter climate and intense continental runoff especially from the river Nile. These layers are alternating with grey marly intervals, featured by the increased values of small placoliths of Reticulofenestra and Gephyrocapsa species, which are indicative of eutrophic conditions during intense surface waters mixing. Pissouri South section comprises a SSTs sequence using alkenone unsaturation index (Uk 37) providing with the first continuous record from SE Mediterranean covering the Zanclean/Piacenzian (Pliocene) transition (~ 4.1-3.2 Ma). Correlation of the total alkenone concentration to the calcareous nannofossil assemblage and especially representatives among Noelaerhabdaceae family revealed that Pseudoemiliania lacunosa probably had similar temperature sensitivity to that of Emiliania huxleyi, currently producing alkenones in present day oceans.Our data support the prevalence of a generally warm phase characterized by the absence of high-frequency climate variations in the southeastern Mediterranean during the Zanclean/Piacenzian (Early/Late Pliocene) transition.

  4. Wetting study of patterned surfaces for superhydrophobicity

    Energy Technology Data Exchange (ETDEWEB)

    Bhushan, Bharat [Nanotribology Laboratory for Information Storage and MEMS/NEMS (NLIM), 201 W. 19th Avenue, Ohio State University, Columbus, OH 43202-1107 (United States)], E-mail: Bhushan.2@osu.edu; Jung, Yong Chae [Nanotribology Laboratory for Information Storage and MEMS/NEMS (NLIM), 201 W. 19th Avenue, Ohio State University, Columbus, OH 43202-1107 (United States)

    2007-10-15

    Superhydrophobic surfaces have considerable technological potential for various applications due to their extreme water-repellent properties. A number of studies have been carried out to produce artificial biomimetic roughness-induced hydrophobic surfaces. In general, both homogeneous and composite interfaces are possible on the produced surface. Silicon surfaces patterned with pillars of two different diameters and heights with varying pitch values were fabricated. We show how static contact angles vary with different pitch values on the patterned silicon surfaces. Based on the experimental data and a numerical model, the trends are explained. We show that superhydrophobic surfaces have low hysteresis and tilt angle. Tribological properties play an important role in many applications requiring water-repellent properties. Therefore, it is important to study the adhesion and friction properties of these surfaces that mimic nature. An atomic/friction force microscope (AFM/FFM) is used for surface characterization and adhesion and friction measurements.

  5. Development of a new method for small bowel transit study

    International Nuclear Information System (INIS)

    Hung, Guang-Uei; Tsai, Chien-Chung; Lin, Wan-Yu

    2006-01-01

    Currently, most studies combine the small bowel transit examination with gastric emptying time examination. There are significant drawbacks to this method. The radiotracer does not enter the small intestine in a bolus and the starting time for transit in the duodenum is difficult to define. This makes the result unreliable. In this study, we used a commercial enteric capsule containing radioactive charcoal to solve these problems. Activated charcoal powder was mixed with Tc-99m pertechnetate and loaded to the enteric capsule which can resist gastric acid and dissolve only in the small intestine, in-vitro stability experiment was performed by immersing these capsules in a colorless phosphate buffer of variable pH which mimicked the condition in stomach and small intestine. In addition, ten healthy Chinese volunteers were included for in-vivo experiment. Anterior and posterior views of abdomen were obtained at regular 30-minute intervals until the eighth hour after administration of the radioactive enteric capsule. Small bowel transit time was calculated. The enteric capsule remained intact for at least 480 minutes in the solution mimicking gastric content (pH=3.0) and disrupted at a mean duration of 227.2 minutes at a pH of 6.8 and at a mean duration of 212.4 minutes at a pH of 7.4 in the solution mimicking pancreaticobiliary secretions. In nine of ten volunteers, the small bowel transit time was between 30 to 270 minutes with a mean transit time of 140 min. In one volunteer, we failed to detect the exact time of small bowel transit because the capsule remained in the stomach throughout the study for up to 8 hours. We consider activated charcoal labeled with Tc-99m pertechnetate using an enteric capsule as the carrier to be a potential radioactive marker for small bowel transit study. (author)

  6. Nonlinear optical techniques for surface studies

    International Nuclear Information System (INIS)

    Shen, Y.R.

    1981-09-01

    Recent effort in developing nonlinear optical techniques for surface studies is reviewed. Emphasis is on monolayer detection of adsorbed molecules on surfaces. It is shown that surface coherent antiStokes Raman scattering (CARS) with picosecond pulses has the sensitivity of detecting submonolayer of molecules. On the other hand, second harmonic or sum-frequency generation is also sensitive enough to detect molecular monolayers. Surface-enhanced nonlinear optical effects on some rough metal surfaces have been observed. This facilitates the detection of molecular monolayers on such surfaces, and makes the study of molecular adsorption at a liquid-metal interface feasible. Advantages and disadvantages of the nonlinear optical techniques for surface studies are discussed

  7. Transitioning Enhanced Land Surface Initialization and Model Verification Capabilities to the Kenya Meteorological Department (KMD)

    Science.gov (United States)

    Case, Jonathan L.; Mungai, John; Sakwa, Vincent; Zavodsky, Bradley T.; Srikishen, Jayanthi; Limaye, Ashutosh; Blankenship, Clay B.

    2016-01-01

    Flooding, severe weather, and drought are key forecasting challenges for the Kenya Meteorological Department (KMD), based in Nairobi, Kenya. Atmospheric processes leading to convection, excessive precipitation and/or prolonged drought can be strongly influenced by land cover, vegetation, and soil moisture content, especially during anomalous conditions and dry/wet seasonal transitions. It is thus important to represent accurately land surface state variables (green vegetation fraction, soil moisture, and soil temperature) in Numerical Weather Prediction (NWP) models. The NASA SERVIR and the Short-term Prediction Research and Transition (SPoRT) programs in Huntsville, AL have established a working partnership with KMD to enhance its regional modeling capabilities. SPoRT and SERVIR are providing experimental land surface initialization datasets and model verification capabilities for capacity building at KMD. To support its forecasting operations, KMD is running experimental configurations of the Weather Research and Forecasting (WRF; Skamarock et al. 2008) model on a 12-km/4-km nested regional domain over eastern Africa, incorporating the land surface datasets provided by NASA SPoRT and SERVIR. SPoRT, SERVIR, and KMD participated in two training sessions in March 2014 and June 2015 to foster the collaboration and use of unique land surface datasets and model verification capabilities. Enhanced regional modeling capabilities have the potential to improve guidance in support of daily operations and high-impact weather and climate outlooks over Eastern Africa. For enhanced land-surface initialization, the NASA Land Information System (LIS) is run over Eastern Africa at 3-km resolution, providing real-time land surface initialization data in place of interpolated global model soil moisture and temperature data available at coarser resolutions. Additionally, real-time green vegetation fraction (GVF) composites from the Suomi-NPP VIIRS instrument is being incorporated

  8. Fluorescence Imaging Study of Transition in Underexpanded Free Jets

    Science.gov (United States)

    Wilkes, Jennifer A.; Danehy, Paul M.; Nowak, Robert J.

    2005-01-01

    Planar laser-induced fluorescence (PLIF) is demonstrated to be a valuable tool for studying the onset of transition to turbulence. For this study, we have used PLIF of nitric oxide (NO) to image underexpanded axisymmetric free jets issuing into a low-pressure chamber through a smooth converging nozzle with a sonic orifice. Flows were studied over a range of Reynolds numbers and nozzle-exit-to-ambient pressure ratios with the aim of empirically determining criteria governing the onset of turbulence. We have developed an image processing technique, involving calculation of the standard deviation of the intensity in PLIF images, in order to aid in the identification of turbulence. We have used the resulting images to identify laminar, transitional and turbulent flow regimes. Jet scaling parameters were used to define a rescaled Reynolds number that incorporates the influence of a varying pressure ratio. An empirical correlation was found between transition length and this rescaled Reynolds number for highly underexpanded jets.

  9. SURFACE LAYER ACCRETION IN TRANSITIONAL AND CONVENTIONAL DISKS: FROM POLYCYCLIC AROMATIC HYDROCARBONS TO PLANETS

    International Nuclear Information System (INIS)

    Perez-Becker, Daniel; Chiang, Eugene

    2011-01-01

    'Transitional' T Tauri disks have optically thin holes with radii ∼>10 AU, yet accrete up to the median T Tauri rate. Multiple planets inside the hole can torque the gas to high radial speeds over large distances, reducing the local surface density while maintaining accretion. Thus multi-planet systems, together with reductions in disk opacity due to grain growth, can explain how holes can be simultaneously transparent and accreting. There remains the problem of how outer disk gas diffuses into the hole. Here it has been proposed that the magnetorotational instability (MRI) erodes disk surface layers ionized by stellar X-rays. In contrast to previous work, we find that the extent to which surface layers are MRI-active is limited not by ohmic dissipation but by ambipolar diffusion, the latter measured by Am: the number of times a neutral hydrogen molecule collides with ions in a dynamical time. Simulations by Hawley and Stone showed that Am ∼ 100 is necessary for ions to drive MRI turbulence in neutral gas. We calculate that in X-ray-irradiated surface layers, Am typically varies from ∼10 -3 to 1, depending on the abundance of charge-adsorbing polycyclic aromatic hydrocarbons, whose properties we infer from Spitzer observations. We conclude that ionization of H 2 by X-rays and cosmic rays can sustain, at most, only weak MRI turbulence in surface layers 1-10 g cm -2 thick, and that accretion rates in such layers are too small compared to observed accretion rates for the majority of disks.

  10. 3-dimensional lattice studies of the electroweak phase transition at MHiggs∼ 70 GeV

    International Nuclear Information System (INIS)

    Guertler, M.; Perlt, H.; Schiller, A.; Ilgenfritz, E.M.; Kripfganz, J.

    1996-06-01

    We study the electroweak phase transition by lattice simulations of an effective 3-dimensional theory, for a Higgs mass of about 70 GeV. Exploiting, among others, a variant of the equal weight criterion of phase equilibrium, we obtain transition temperature, latent heat and surface tension, and compare with M H ∼35 GeV. In the broken phase masses and Higgs condensates are compared to perturbation theory. For the symmetric phase, bound state masses and the static force are determined. (orig.)

  11. Surface distribution of brachyuran megalopae and ichthyoplankton in the Columbia River plume during transition from downwelling to upwelling conditions

    Science.gov (United States)

    Roegner, G. Curtis; Daly, Elizabeth A.; Brodeur, Richard D.

    2013-06-01

    In the California Current coastal boundary zone, the spring transition between downwelling and upwelling conditions, along with the fluctuating structure of the Columbia River plume, creates highly dynamic interactions. In this study, we investigated whether the surface distribution of brachyuran larvae and ichthyoplankton would track the dynamics of the Columbia River plume. By happenstance, the cruise period coincided with the spring transition from downwelling to sustained upwelling conditions in 2010, a year when the transition was delayed and Columbia River flow was substantially higher than average. We used time series of wind and freshwater input to evaluate the influence of physical forcing on oceanographic patterns, and sampled hydrography and surface plankton concentrations within a 182 km2 grid off Willapa Bay, WA. Additionally, two longer transects, one cross-shelf and the other along-shore, were made to discern the extent of plume influence on larval crab and fish abundance. We found that plume waters that were trapped in a northward-flowing coastal-boundary current during downwelling conditions were advected offshore after several days of upwelling-favorable winds. Neustonic collections of brachyuran larvae and ichthyoplankton varied in response to this large seaward advective event. Megalopae of cancrid crabs exhibited patterns of both offshore transport (Cancer oregonensis/productus) and nearshore retention (C. magister). Additionally, abundant numbers of large juvenile widow (Sebastes entomelas) and yellowtail (S. flavidus) rockfish of a size appropriate for settlement were sampled during a period when ocean conditions favored high recruitment success. These results demonstrated that the response of planktonic crab larvae and ichthyoplankton to large-scale advection varied by species, with larger and more vagile fish exhibiting less evidence of passive transport than smaller crab larvae. Importantly, portions of the planktonic fish and crab

  12. Thermal switching of the electrical conductivity of Si(111)(√3x√3)Ag due to a surface phase transition

    International Nuclear Information System (INIS)

    Wells, J W; Kallehauge, J F; Hofmann, Ph

    2007-01-01

    The temperature-dependent surface conductivity of the Si(111)(√3x√3)Ag surface was measured using a microscopic four-point probe. The conductivity was found to undergo a sharp increase of about three orders of magnitude when the system was heated above about 220 K. This strong conductivity change is reversible and attributed to the phase transition which is generally believed to occur on this surface. It is also shown that, in order to find the true surface conductivity, it is necessary to separate it from the contribution of the bulk and space charge layer. In this work, this is achieved by using a finite-element model. A percolating network of Ag islands on Si(111) was also studied and a much simpler behaviour (compared to that of Si(111))(√3x√3)Ag) was found. The temperature-dependent conductivity of this system was found to display typical metallic behaviour. The absolute value of the conductivity is comparable to the value expected by modelling the Ag film as exhibiting the bulk Ag transport properties

  13. A Longitudinal Study of Adolescent Adjustment Following Family Transitions

    Science.gov (United States)

    Ruschena, Eda; Prior, Margot; Sanson, Ann; Smart, Diana

    2005-01-01

    Background: This study examined the impact of family transitions, that is, parental separation, divorce, remarriage and death, upon the lives of Australian children and adolescents in a longitudinal study of temperament and development. Methods: Using longitudinal and concurrent questionnaire data, outcomes for young people experiencing…

  14. Transition to Postgraduate Study: Postgraduate Ecological Systems and Identity

    Science.gov (United States)

    Tobbell, Jane; O'Donnell, Victoria L.

    2013-01-01

    This paper explores and examines the distal and proximal systems which construct social science postgraduate study in the UK and analyses the emergent identities of postgraduate students as they negotiate the multiple and interacting practices in their transition to study. The data represent part of a one-year research project, funded by the…

  15. Shallow to Deep Convection Transition over a Heterogeneous Land Surface Using the Land Model Coupled Large-Eddy Simulation

    Science.gov (United States)

    Lee, J.; Zhang, Y.; Klein, S. A.

    2017-12-01

    The triggering of the land breeze, and hence the development of deep convection over heterogeneous land should be understood as a consequence of the complex processes involving various factors from land surface and atmosphere simultaneously. That is a sub-grid scale process that many large-scale models have difficulty incorporating it into the parameterization scheme partly due to lack of our understanding. Thus, it is imperative that we approach the problem using a high-resolution modeling framework. In this study, we use SAM-SLM (Lee and Khairoutdinov, 2015), a large-eddy simulation model coupled to a land model, to explore the cloud effect such as cold pool, the cloud shading and the soil moisture memory on the land breeze structure and the further development of cloud and precipitation over a heterogeneous land surface. The atmospheric large scale forcing and the initial sounding are taken from the new composite case study of the fair-weather, non-precipitating shallow cumuli at ARM SGP (Zhang et al., 2017). We model the land surface as a chess board pattern with alternating leaf area index (LAI). The patch contrast of the LAI is adjusted to encompass the weak to strong heterogeneity amplitude. The surface sensible- and latent heat fluxes are computed according to the given LAI representing the differential surface heating over a heterogeneous land surface. Separate from the surface forcing imposed from the originally modeled surface, the cases that transition into the moist convection can induce another layer of the surface heterogeneity from the 1) radiation shading by clouds, 2) adjusted soil moisture pattern by the rain, 3) spreading cold pool. First, we assess and quantifies the individual cloud effect on the land breeze and the moist convection under the weak wind to simplify the feedback processes. And then, the same set of experiments is repeated under sheared background wind with low level jet, a typical summer time wind pattern at ARM SGP site, to

  16. Surface studies of plasma processed Nb samples

    International Nuclear Information System (INIS)

    Tyagi, Puneet V.; Doleans, Marc; Hannah, Brian S.; Afanador, Ralph; Stewart, Stephen; Mammosser, John; Howell, Matthew P; Saunders, Jeffrey W; Degraff, Brian D; Kim, Sang-Ho

    2015-01-01

    Contaminants present at top surface of superconducting radio frequency (SRF) cavities can act as field emitters and restrict the cavity accelerating gradient. A room temperature in-situ plasma processing technology for SRF cavities aiming to clean hydrocarbons from inner surface of cavities has been recently developed at the Spallation Neutron Source (SNS). Surface studies of the plasma-processed Nb samples by Secondary ion mass spectrometry (SIMS) and Scanning Kelvin Probe (SKP) showed that the NeO_2 plasma processing is very effective to remove carbonaceous contaminants from top surface and improves the surface work function by 0.5 to 1.0 eV.

  17. Formation and structural phase transition in Co atomic chains on a Cu(775) surface

    International Nuclear Information System (INIS)

    Syromyatnikov, A. G.; Kabanov, N. S.; Saletsky, A. M.; Klavsyuk, A. L.

    2017-01-01

    The formation of Co atomic chains on a Cu(775) surface is investigated by the kinetic Monte Carlo method. It is found that the length of Co atomic chains formed as a result of self-organization during epitaxial growth is a random quantity and its mean value depends on the parameters of the experiment. The existence of two structural phases in atomic chains is detected using the density functional theory. In the first phase, the separations between an atom and its two nearest neighbors in a chain are 0.230 and 0.280 nm. In the second phase, an atomic chain has identical atomic spacings of 0.255 nm. It is shown that the temperature of the structural phase transition depends on the length of the atomic chain.

  18. Formation and structural phase transition in Co atomic chains on a Cu(775) surface

    Energy Technology Data Exchange (ETDEWEB)

    Syromyatnikov, A. G.; Kabanov, N. S.; Saletsky, A. M.; Klavsyuk, A. L., E-mail: klavsyuk@physics.msu.ru [Moscow State University (Russian Federation)

    2017-01-15

    The formation of Co atomic chains on a Cu(775) surface is investigated by the kinetic Monte Carlo method. It is found that the length of Co atomic chains formed as a result of self-organization during epitaxial growth is a random quantity and its mean value depends on the parameters of the experiment. The existence of two structural phases in atomic chains is detected using the density functional theory. In the first phase, the separations between an atom and its two nearest neighbors in a chain are 0.230 and 0.280 nm. In the second phase, an atomic chain has identical atomic spacings of 0.255 nm. It is shown that the temperature of the structural phase transition depends on the length of the atomic chain.

  19. Observation of second spin reorientation transition within ultrathin region in Fe films on Ag(001) surface

    International Nuclear Information System (INIS)

    Khim, T.-Y.; Shin, M.; Lee, H.; Park, B.-G.; Park, J.-H.

    2014-01-01

    We acquired direct measurements for in-plane and perpendicular-to-plane magnetic moments of Fe films using an x-ray magnetic circular dichroism technique with increase of the Fe thickness (up to 40 Å) on the Ag(001) surface. Epitaxial Fe/Ag(001) films were grown in situ with the thickness varying from 2 Å to 40 Å, and the magnetic anisotropy was carefully investigated as a function of the film thickness. We found re-entrance of the in-plane magnetic anisotropy of the Fe film in ultrathin region. The results manifest that the epitaxial Fe/Ag(001) film undergoes two distinct spin reorientation transitions from in-plane to out-of-plane at the film thickness t ≈ 9 Å and back to in-plane at t ≈ 18 Å as t increases.

  20. 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.

  1. Pyrolysis in Groningen, Netherlands. Feasibility study on a transition coalition

    International Nuclear Information System (INIS)

    Siemons, R.V.

    2005-01-01

    Results of a study on the technical, economical and financial feasibility of a pyrolysis factory for the processing and energetic application of biomass wastes in the Dutch province Groningen are presented and discussed. Also, attention is paid to the implementation of the planned pyrolysis factory in one or more transition programmes. [nl

  2. Application of Kissinger analysis to glass transition and study of ...

    Indian Academy of Sciences (India)

    Home; Journals; Bulletin of Materials Science; Volume 35; Issue 4. Application of Kissinger analysis to glass transition and study of thermal degradation kinetics of phenolic–acrylic IPNs ... Author Affiliations. S Goswami1 K Kiran1. Department of Polymer Engineering, Birla Institute of Technology, Ranchi 835 215, India ...

  3. Veterans' Transitions to Community College: A Case Study

    Science.gov (United States)

    Wheeler, Holly A.

    2012-01-01

    Veterans on college campuses are not new; however, the recent influx of veterans returning home from war-time service present challenges to the colleges they attend. The purpose of this qualitative case study was to examine the transition process experienced by veterans leaving military service and attending community college for the first time.…

  4. Secondary Analysis of National Longitudinal Transition Study 2 Data

    Science.gov (United States)

    Hicks, Tyler A.; Knollman, Greg A.

    2015-01-01

    This review examines published secondary analyses of National Longitudinal Transition Study 2 (NLTS2) data, with a primary focus upon statistical objectives, paradigms, inferences, and methods. Its primary purpose was to determine which statistical techniques have been common in secondary analyses of NLTS2 data. The review begins with an…

  5. Atomic and molecular oxygen adsorbed on (111) transition metal surfaces: Cu and Ni

    Energy Technology Data Exchange (ETDEWEB)

    López-Moreno, S., E-mail: sinlopez@uacam.mx [Centro de Investigación en Corrosión, Universidad Autónoma de Campeche, Av. Héroe de Nacozari 480, Campeche, Campeche 24029 (Mexico); Romero, A. H. [Physics Department, West Virginia University, Morgantown, West Virginia 26506-6315 (United States)

    2015-04-21

    Density functional theory is used to investigate the reaction of oxygen with clean copper and nickel [111]-surfaces. We study several alternative adsorption sites for atomic and molecular oxygen on both surfaces. The minimal energy geometries and adsorption energies are in good agreement with previous theoretical studies and experimental data. From all considered adsorption sites, we found a new O{sub 2} molecular precursor with two possible dissociation paths on the Cu(111) surface. Cross barrier energies for the molecular oxygen dissociation have been calculated by using the climbing image nudge elastic band method, and direct comparison with experimental results is performed. Finally, the structural changes and adsorption energies of oxygen adsorbed on surface when there is a vacancy nearby the adsorption site are also considered.

  6. Atomic and molecular oxygen adsorbed on (111) transition metal surfaces: Cu and Ni

    Science.gov (United States)

    López-Moreno, S.; Romero, A. H.

    2015-04-01

    Density functional theory is used to investigate the reaction of oxygen with clean copper and nickel [111]-surfaces. We study several alternative adsorption sites for atomic and molecular oxygen on both surfaces. The minimal energy geometries and adsorption energies are in good agreement with previous theoretical studies and experimental data. From all considered adsorption sites, we found a new O2 molecular precursor with two possible dissociation paths on the Cu(111) surface. Cross barrier energies for the molecular oxygen dissociation have been calculated by using the climbing image nudge elastic band method, and direct comparison with experimental results is performed. Finally, the structural changes and adsorption energies of oxygen adsorbed on surface when there is a vacancy nearby the adsorption site are also considered.

  7. Atomic and molecular oxygen adsorbed on (111) transition metal surfaces: Cu and Ni

    International Nuclear Information System (INIS)

    López-Moreno, S.; Romero, A. H.

    2015-01-01

    Density functional theory is used to investigate the reaction of oxygen with clean copper and nickel [111]-surfaces. We study several alternative adsorption sites for atomic and molecular oxygen on both surfaces. The minimal energy geometries and adsorption energies are in good agreement with previous theoretical studies and experimental data. From all considered adsorption sites, we found a new O 2 molecular precursor with two possible dissociation paths on the Cu(111) surface. Cross barrier energies for the molecular oxygen dissociation have been calculated by using the climbing image nudge elastic band method, and direct comparison with experimental results is performed. Finally, the structural changes and adsorption energies of oxygen adsorbed on surface when there is a vacancy nearby the adsorption site are also considered

  8. Study of near-critical states of liquid-vapor phase transition of magnesium

    International Nuclear Information System (INIS)

    Emelyanov, A N; Shakhray, D V; Golyshev, A A

    2015-01-01

    Study of thermodynamic parameters of magnesium in the near-critical point region of the liquid-vapor phase transition and in the region of metal-nonmetal transition was carried out. Measurements of the electrical resistance of magnesium after shock compression and expansion into gas (helium) environment in the process of isobaric heating was carried out. Heating of the magnesium surface by heat transfer with hot helium was performed. The registered electrical resistance of expanded magnesium was about 10 4 -10 5 times lower than the electrical resistance of the magnesium under normal condition at the density less than the density of the critical point. Thus, metal-nonmetal transition was found in magnesium. (paper)

  9. A theoretical study of the structure and stability of borohydride on 3d transition metals

    Science.gov (United States)

    Arevalo, Ryan Lacdao; Escaño, Mary Clare Sison; Gyenge, Elod; Kasai, Hideaki

    2012-12-01

    The adsorption of borohydride on 3d transition metals (Cr, Mn, Fe, Co, Ni and Cu) was studied using first principles calculations within spin-polarized density functional theory. Magnetic effect on the stability of borohydride is noted. Molecular adsorption is favorable on Co, Ni and Cu, which is characterized by the strong s-dzz hybridization of the adsorbate-substrate states. Dissociated adsorption structure yielding one or two H adatom fragments on the surface is observed for Cr, Mn and Fe.

  10. Efficacy of surface error corrections to density functional theory calculations of vacancy formation energy in transition metals.

    Science.gov (United States)

    Nandi, Prithwish Kumar; Valsakumar, M C; Chandra, Sharat; Sahu, H K; Sundar, C S

    2010-09-01

    We calculate properties like equilibrium lattice parameter, bulk modulus and monovacancy formation energy for nickel (Ni), iron (Fe) and chromium (Cr) using Kohn-Sham density functional theory (DFT). We compare the relative performance of local density approximation (LDA) and generalized gradient approximation (GGA) for predicting such physical properties for these metals. We also make a relative study between two different flavors of GGA exchange correlation functional, namely PW91 and PBE. These calculations show that there is a discrepancy between DFT calculations and experimental data. In order to understand this discrepancy in the calculation of vacancy formation energy, we introduce a correction for the surface intrinsic error corresponding to an exchange correlation functional using the scheme implemented by Mattsson et al (2006 Phys. Rev. B 73 195123) and compare the effectiveness of the correction scheme for Al and the 3d transition metals.

  11. The Ebb and Flow of Filipino First-Time Fatherhood Transition Space: A Grounded Theory Study.

    Science.gov (United States)

    Villamor, Neil Jupiter E; de Guzman, Allan B; Matienzo, Evangeline T

    2016-11-01

    Fatherhood, as a developmental process, is both a human experience and a text that needs to be read. For developing nations like the Philippines, little is known about the process undergone by first-time fathers on their transition to fatherhood, and how nurses can play a significant role in assisting them. This grounded theory study purported to conceptualize the multifaceted process of transition from the lens of Filipino first-time fathers' lived experiences. A total of 20 first-time fathers from Metro Manila, Philippines, were purposively selected to take part in an individual, semistructured, and in-depth interview. The Glaserian (classical) method of analysis was specifically used, and field texts were inductively analyzed using a repertory grid. Member checking and correspondence were done to validate the findings of the study. Six surfacing stages emerged relative to the process of transition. Interestingly, The B.R.I.D.G.E. Theory of First-Time Fatherhood Transition Space describes how these fathers progress from the beholding, reorganizing, inhibiting, delivering, grasping, and embracing phases toward successful transition. This emerged theoretical model can be used in framing health care programs where the needs of fathers during this period are met and addressed. Finally, it can also be used in guiding nurses in their provision of a more empathetic care for first-time fathers. © The Author(s) 2015.

  12. Key Role of Nitrate in Phase Transitions of Urban Particles: Implications of Important Reactive Surfaces for Secondary Aerosol Formation

    Science.gov (United States)

    Sun, Jiaxing; Liu, Lei; Xu, Liang; Wang, Yuanyuan; Wu, Zhijun; Hu, Min; Shi, Zongbo; Li, Yongjie; Zhang, Xiaoye; Chen, Jianmin; Li, Weijun

    2018-01-01

    Ammonium sulfate (AS) and ammonium nitrate (AN) are key components of urban fine particles. Both field and model studies showed that heterogeneous reactions of SO2, NO2, and NH3 on wet aerosols accelerated the haze formation in northern China. However, little is known on phase transitions of AS-AN containing haze particles. Here hygroscopic properties of laboratory-generated AS-AN particles and individual particles collected during haze events in an urban site were investigated using an individual particle hygroscopicity system. AS-AN particles showed a two-stage deliquescence at mutual deliquescence relative humidity (MDRH) and full deliquescence relative humidity (DRH) and three physical states: solid before MDRH, solid-aqueous between MDRH and DRH, and aqueous after DRH. During hydration, urban haze particles displayed a solid core and aqueous shell at RH = 60-80% and aqueous phase at RH > 80%. Most particles were in aqueous phase at RH > 50% during dehydration. Our results show that AS content in individual particles determines their DRH and AN content determines their MDRH. AN content increase can reduce MDRH, which indicates occurrence of aqueous shell at lower RH. The humidity-dependent phase transitions of nitrate-abundant urban particles are important to provide reactive surfaces of secondary aerosol formation in the polluted air.

  13. Assessment of colonic transit time using MRI: a feasibility study

    Energy Technology Data Exchange (ETDEWEB)

    Buhmann, Sonja; Reiser, Maximilian F.; Lienemann, Andreas [Ludwig-Maximilians-University, Department of Clinical Radiology, Campus Grosshadern, Munich (Germany); Kirchhoff, Chlodwig; Ladurner, Roland; Mussack, Thomas [Ludwig-Maximilians-University, Department of Surgery and Traumatology, Campus Innenstadt, Munich (Germany)

    2007-03-15

    The aim of this pilot study was to evaluate a new, non-invasive examination method using MRI for the quantification of the colonic transit time after oral administration of gadolinium-saline solution filled capsules. Healthy volunteers without previous or acute symptoms of gastrointestinal disorders were enrolled. After a 3-day diet for the standardization of gastrocolonic content the volunteers swallowed five Gd-DTPA/saline 0.9%-filledcapsules. Seven different concentrations of Gd-DTPA/saline 0.9% solution between 1:0 and 0:1 were tested in a dilution series. Following ingestion of capsules, coronal Flash T1 and True Fisp sequences using a 1.5 Tesla system were obtained at 0 h, 3 h, 6 h, 12 h, 24 h, 36 h and 60 h. Sequences were analyzed by two independent experts for locating the capsules. Overall colonic transit time was separately analyzed for both genders. Fifteen healthy volunteers (7 females, 8 males; mean age 34{+-}13 years) were enrolled. The phantom study provided the best contrast in both the T1-and T2-weighted sequences defining a ratio of 1:10 for Gd-DTPA/saline 0.9% solution. The mean transit time accounted for 41{+-}9 h in women and for 31{+-}10 h in men. MRI is an adequate method for the assessment of colonic transit time offering the advantages of no exposure to radiation, short examination time, possible dynamic evaluation of the transit and the practicability in terms of a future adoption to clinical routine. (orig.)

  14. Assessment of colonic transit time using MRI: a feasibility study

    International Nuclear Information System (INIS)

    Buhmann, Sonja; Reiser, Maximilian F.; Lienemann, Andreas; Kirchhoff, Chlodwig; Ladurner, Roland; Mussack, Thomas

    2007-01-01

    The aim of this pilot study was to evaluate a new, non-invasive examination method using MRI for the quantification of the colonic transit time after oral administration of gadolinium-saline solution filled capsules. Healthy volunteers without previous or acute symptoms of gastrointestinal disorders were enrolled. After a 3-day diet for the standardization of gastrocolonic content the volunteers swallowed five Gd-DTPA/saline 0.9%-filledcapsules. Seven different concentrations of Gd-DTPA/saline 0.9% solution between 1:0 and 0:1 were tested in a dilution series. Following ingestion of capsules, coronal Flash T1 and True Fisp sequences using a 1.5 Tesla system were obtained at 0 h, 3 h, 6 h, 12 h, 24 h, 36 h and 60 h. Sequences were analyzed by two independent experts for locating the capsules. Overall colonic transit time was separately analyzed for both genders. Fifteen healthy volunteers (7 females, 8 males; mean age 34±13 years) were enrolled. The phantom study provided the best contrast in both the T1-and T2-weighted sequences defining a ratio of 1:10 for Gd-DTPA/saline 0.9% solution. The mean transit time accounted for 41±9 h in women and for 31±10 h in men. MRI is an adequate method for the assessment of colonic transit time offering the advantages of no exposure to radiation, short examination time, possible dynamic evaluation of the transit and the practicability in terms of a future adoption to clinical routine. (orig.)

  15. The stability boundary of group-III transition metal diboride ScB 2 (0 0 0 1) surfaces

    Science.gov (United States)

    Zhao, Hui; Qin, Na

    2012-01-01

    Experimental observations and theoretical investigations exhibit that a group-IV(V) transition metal diboride (0 0 0 1) surface is terminated with a 1 × 1 TM(B) layer. As to a group-III transition metal diboride, we have investigated the stability boundary of ScB2 (0 0 0 1) surfaces using first principles total energy plane-wave pseudopotential method based on density functional theory. The Mulliken charge population analysis shows that Sc atoms in the second layer cannot provide B atoms in the first layer with sufficient electrons to form a complete graphene-like boron layer. We also found that the charge transfer between the first and the second layer for the B-terminated surface is more than that for Sc-terminated surface. It elucidates the reason that the outermost interlayer spacing contract more strongly in the B-terminated surface than in the Sc-terminated surface. The surface energies of both terminated ScB2 (0 0 0 1) surfaces as a function of the chemical potential of B are also calculated to check the relative stability of the two surface structures.

  16. Near-Surface Profiles of Water Stable Isotope Components and Indicated Transitional History of Ice-Wedge Polygons Near Barrow

    Science.gov (United States)

    Iwahana, G.; Wilson, C.; Newman, B. D.; Heikoop, J. M.; Busey, R.

    2017-12-01

    Wetlands associated with ice-wedge polygons are commonly distributed across the Arctic Coastal Plain of northern Alaska, a region underlain by continuous permafrost. Micro-topography of the ice-wedge polygons controls local hydrology, and the micro-topography could be altered due to factors such like surface vegetation, wetness, freeze-thaw cycles, and permafrost degradation/aggradation under climate change. Understanding status of the wetlands in the near future is important because it determines biogeochemical cycle, which drives release of greenhouse gases from the ground. However, transitional regime of the ice-wedge polygons under the changing climate is not fully understood. In this study, we analyzed geochemistry of water extracted from frozen soil cores sampled down to about 1m depth in 2014 March at NGEE-Arctic sites in the Barrow Environmental Observatory. The cores were sampled from troughs/rims/centers of five different low-centered or flat-centered polygons. The frozen cores are divided into 5-10cm cores for each location, thawed in sealed plastic bags, and then extracted water was stored in vials. Comparison between the profiles of geochemistry indicated connection of soil water in the active layer at different location in a polygon, while it revealed that distinctly different water has been stored in permafrost layer at troughs/rims/centers of some polygons. Profiles of volumetric water content (VWC) showed clear signals of freeze-up desiccation in the middle of saturated active layers as low VWC anomalies at most sampling points. Water in the active layer and near-surface permafrost was classified into four categories: ice wedge / fresh meteoric / transitional / highly fractionated water. The overall results suggested prolonged separation of water in the active layer at the center of low-centered polygons without lateral connection in water path in the past.

  17. Homogeneous Studies of Transiting Extrasolar Planets: Current Status and Future Plans

    Science.gov (United States)

    Taylor, John

    2011-09-01

    We now know of over 500 planets orbiting stars other than our Sun. The jewels in the crown are the transiting planets, for these are the only ones whose masses and radii are measurable. They are fundamental for our understanding of the formation, evolution, structure and atmospheric properties of extrasolar planets. However, their characterization is not straightforward, requiring extremely high-precision photometry and spectroscopy as well as input from theoretical stellar models. I summarize the motivation and current status of a project to measure the physical properties of all known transiting planetary systems using homogeneous techniques (Southworth 2008, 2009, 2010, 2011 in preparation). Careful attention is paid to the treatment of limb darkening, contaminating light, correlated noise, numerical integration, orbital eccentricity and orientation, systematic errors from theoretical stellar models, and empirical constraints. Complete error budgets are calculated for each system and can be used to determine which type of observation would be most useful for improving the parameter measurements. Known correlations between the orbital periods, masses, surface gravities, and equilibrium temperatures of transiting planets can be explored more safely due to the homogeneity of the properties. I give a sneak preview of Homogeneous Studies Paper 4, which includes the properties of thirty transiting planetary systems observed by the CoRoT, Kepler and Deep Impact space missions. Future opportunities are discussed, plus remaining problems with our understanding of transiting planets. I acknowledge funding from the UK STFC in the form of an Advanced Fellowship.

  18. Surface geophysical methods for characterising frozen ground in transitional permafrost landscapes

    Science.gov (United States)

    Briggs, Martin A.; Campbell, Seth; Nolan, Jay; Walvoord, Michelle Ann; Ntarlagiannis, Dimitrios; Day-Lewis, Frederick D.; Lane, John W.

    2017-01-01

    The distribution of shallow frozen ground is paramount to research in cold regions, and is subject to temporal and spatial changes influenced by climate, landscape disturbance and ecosystem succession. Remote sensing from airborne and satellite platforms is increasing our understanding of landscape-scale permafrost distribution, but typically lacks the resolution to characterise finer-scale processes and phenomena, which are better captured by integrated surface geophysical methods. Here, we demonstrate the use of electrical resistivity imaging (ERI), electromagnetic induction (EMI), ground penetrating radar (GPR) and infrared imaging over multiple summer field seasons around the highly dynamic Twelvemile Lake, Yukon Flats, central Alaska, USA. Twelvemile Lake has generally receded in the past 30 yr, allowing permafrost aggradation in the receded margins, resulting in a mosaic of transient frozen ground adjacent to thick, older permafrost outside the original lakebed. ERI and EMI best evaluated the thickness of shallow, thin permafrost aggradation, which was not clear from frost probing or GPR surveys. GPR most precisely estimated the depth of the active layer, which forward electrical resistivity modelling indicated to be a difficult target for electrical methods, but could be more tractable in time-lapse mode. Infrared imaging of freshly dug soil pit walls captured active-layer thermal gradients at unprecedented resolution, which may be useful in calibrating emerging numerical models. GPR and EMI were able to cover landscape scales (several kilometres) efficiently, and new analysis software showcased here yields calibrated EMI data that reveal the complicated distribution of shallow permafrost in a transitional landscape.

  19. Single lump breast surface stress assessment study

    Science.gov (United States)

    Vairavan, R.; Ong, N. R.; Sauli, Z.; Kirtsaeng, S.; Sakuntasathien, S.; Paitong, P.; Alcain, J. B.; Lai, S. L.; Retnasamy, V.

    2017-09-01

    Breast cancer is one of the commonest cancers diagnosed among women around the world. Simulation approach has been utilized to study, characterize and improvise detection methods for breast cancer. However, minimal simulation work has been done to evaluate the surface stress of the breast with lumps. Thus, in this work, simulation analysis was utilized to evaluate and assess the breast surface stress due to the presence of a lump within the internal structure of the breast. The simulation was conducted using the Elmer software. Simulation results have confirmed that the presence of a lump within the breast causes stress on the skin surface of the breast.

  20. Study of transition metal oxides by photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Rao, C.N.R.; Sarma, D.D.; Vasudevan, S.; Hegde, M.S.

    1979-01-01

    Systematics in the X-ray photoelectron spectra (X.p.e.s.) of Ti, V, Cr, Mn and Nb oxides with the metal ion in different oxidation states as well as of related series of mono-, sesqui- and di-oxides of the first row of transition metals have been investigated in detail. Core level binding energies, spin-orbit splittings and exchange splittings are found to exhibit interesting variations with the oxidation state of the metal or the nuclear charge. The 3d binding energies of the monoxides show a proportionality to Goodenough's (R - RC). Other aspects of interest in the study are the satellite structure and final state effects in the X.p.e.s. of the oxides, and identification of different valence states in oxides of the general formulae Mn02n-1 and M304. The nature of changes in the 3d bands of oxides undergoing metal-insulator transitions is also indicated. (author)

  1. Phase transition temperatures of 405-725 K in superfluid ultra-dense hydrogen clusters on metal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Holmlid, Leif, E-mail: holmlid@chem.gu.se [Atmospheric Science, Department of Chemistry, University of Gothenburg, SE-412 96 Göteborg (Sweden); Kotzias, Bernhard [Airbus DS, Department Mechanical Engineering, D28199 Bremen (Germany)

    2016-04-15

    Ultra-dense hydrogen H(0) with its typical H-H bond distance of 2.3 pm is superfluid at room temperature as expected for quantum fluids. It also shows a Meissner effect at room temperature, which indicates that a transition point to a non-superfluid state should exist above room temperature. This transition point is given by a disappearance of the superfluid long-chain clusters H{sub 2N}(0). This transition point is now measured for several metal carrier surfaces at 405 - 725 K, using both ultra-dense protium p(0) and deuterium D(0). Clusters of ordinary Rydberg matter H(l) as well as small symmetric clusters H{sub 4}(0) and H{sub 3}(0) (which do not give a superfluid or superconductive phase) all still exist on the surface at high temperature. This shows directly that desorption or diffusion processes do not remove the long superfluid H{sub 2N}(0) clusters. The two ultra-dense forms p(0) and D(0) have different transition temperatures under otherwise identical conditions. The transition point for p(0) is higher in temperature, which is unexpected.

  2. Phase transition temperatures of 405-725 K in superfluid ultra-dense hydrogen clusters on metal surfaces

    International Nuclear Information System (INIS)

    Holmlid, Leif; Kotzias, Bernhard

    2016-01-01

    Ultra-dense hydrogen H(0) with its typical H-H bond distance of 2.3 pm is superfluid at room temperature as expected for quantum fluids. It also shows a Meissner effect at room temperature, which indicates that a transition point to a non-superfluid state should exist above room temperature. This transition point is given by a disappearance of the superfluid long-chain clusters H_2_N(0). This transition point is now measured for several metal carrier surfaces at 405 - 725 K, using both ultra-dense protium p(0) and deuterium D(0). Clusters of ordinary Rydberg matter H(l) as well as small symmetric clusters H_4(0) and H_3(0) (which do not give a superfluid or superconductive phase) all still exist on the surface at high temperature. This shows directly that desorption or diffusion processes do not remove the long superfluid H_2_N(0) clusters. The two ultra-dense forms p(0) and D(0) have different transition temperatures under otherwise identical conditions. The transition point for p(0) is higher in temperature, which is unexpected.

  3. Inelastic transitions of atoms and molecules induced by van der Waals interaction with a surface

    International Nuclear Information System (INIS)

    Baudon, J.; Hamamda, M.; Boustimi, M.; Bocvarski, V.; Taillandier-Loize, T.; Dutier, G.; Perales, F.; Ducloy, M.

    2012-01-01

    Inelastic processes occuring in thermal-velocity metastable atoms and molecules passing at a mean distance (1–100 nm) are investigated. These processes are caused by the quadrupolar part of the van der Waals interaction: fine-structure transitions in atoms (Ar ∗ , Kr ∗ ), rovibrational transitions in N 2 ∗ ( 3 Σ u + ), transitions among magnetic sub-levels in the presence of a magnetic field.

  4. An Analysis of Public Transit Connectivity Index in Tehran. The Case Study: Tehran Multi-Modal Transit Network

    Directory of Open Access Journals (Sweden)

    Amir Reza Mamdoohi

    2016-10-01

    Full Text Available Public transit is a major priority in modern management of large cities and metropolitan areas in particular. Public transit systems in such cities consist of a large number of nodes and lines which are represented by a complex network. A station for public transit is a bridge between the people and public transit network, based on which, the concept of input and output power for each station can be defined. The objective of this study is the application of the transit connectivity indices to the multimodal transit network in the city of Tehran. The public transit network data employed in this study is taken from Tehran Traffic Control Company, and Tehran Urban and Suburban Railway Operation Company. The methodology for measuring transit connectivity consists of three measures: Node connectivity, Line connectivity and Regional connectivity, where activity density is applied to these measures. The results of node connectivity analysis shows that most of the node connectivity in concentrated in the city center with many nodes in the center along routes going north and south. The line connectivity analysis shows that there is a concentration of highly connected lines that are near Tehran municipality region 12 and 16. Finally, we find that areas with more metro and bus facilities with respect to the other areas, have a better regional connectivity. One of these areas includes Sadeghiyeh Metro Station which is the junction of Tehran Metro Line 2 and Tehran Metro Line 5 which have a high connectivity power. Results of this study can be used to suggest some ideas on how future investments in rail and bus should be prioritized. Particularly in Transit Oriented Development (TOD and sustainble development projects, urban planners can design transit stations with high performance to access the crucial services in poor areas.

  5. A quantitative modeling of the contributions of localized surface plasmon resonance and interband transitions to absorbance of gold nanoparticles

    International Nuclear Information System (INIS)

    Zhu, S.; Chen, T. P.; Liu, Y. C.; Liu, Y.; Fung, S.

    2012-01-01

    A quantitative modeling of the contributions of localized surface plasmon resonance (LSPR) and interband transitions to absorbance of gold nanoparticles has been achieved based on Lorentz–Drude dispersion function and Maxwell-Garnett effective medium approximation. The contributions are well modeled with three Lorentz oscillators. Influence of the structural properties of the gold nanoparticles on the LSPR and interband transitions has been examined. In addition, the dielectric function of the gold nanoparticles has been extracted from the modeling to absorbance, and it is found to be consistent with the result yielded from the spectroscopic ellipsometric analysis.

  6. ARTICLES: Nonlinear interaction of infrared waves on a VO2 surface at a semiconductor-metal phase transition

    Science.gov (United States)

    Berger, N. K.; Zhukov, E. A.; Novokhatskiĭ, V. V.

    1984-04-01

    The use of a semiconductor-metal phase transition for wavefront reversal of laser radiation was proposed. An investigation was made of nonlinear reflection of CO2 laser radiation at a phase transition in VO2. A three-wave interaction on a VO2 surface was achieved using low-power cw and pulsed CO2 lasers. In the first case, the intensity reflection coefficient was 0.5% for a reference wave intensity of 0.9 W/cm2 and in the second case, it was 42% for a threshold reference wave energy density of 0.6-0.8 mJ/cm2.

  7. Unique properties associated with normal martensitic transition and strain glass transition – A simulation study

    International Nuclear Information System (INIS)

    Wang, Dong; Ni, Yan; Gao, Jinghui; Zhang, Zhen; Ren, Xiaobing; Wang, Yunzhi

    2013-01-01

    Highlights: ► We model the unique properties of strain glass which is different from that of normal martensite. ► We describe the importance of point defects in the formation of strain glass and related properties. ► The role of point defect can be attributed to global transition temperature effect (GTTE) and local field effect (LFE). -- Abstract: The transition behavior and unique properties associated with normal martensitic transition and strain glass transition are investigated by computer simulations using the phase field method. The simulations are based on a physical model that assumes that point defects alter the thermodynamic stability of martensite and create local lattice distortion. The simulation results show that strain glass transition exhibits different properties from those found in normal martensitic transformations. These unique properties include diffuse scattering pattern, “smear” elastic modulus peak, disappearance of heat flow peak and non-ergodicity. These simulation predictions agree well with the experimental observations

  8. Changing Groundwater-Surface Water Interactions Impact Stream Chemistry and Ecology at the Arctic-Boreal Transition in Western Alaska

    Science.gov (United States)

    Koch, J. C.; Carey, M.; O'Donnell, J.; Sjoberg, Y.; Zimmerman, C. E.

    2016-12-01

    The arctic-boreal transition zone of Alaska is experiencing rapid change related to unprecedented warming and subsequent loss of permafrost. These changes in turn may affect groundwater-surface water (GW-SW) interactions, biogeochemical cycling, and ecosystem processes. While recent field and modeling studies have improved our understanding of hydrology in watersheds underlain by thawing permafrost, little is known about how these hydrologic shifts will impact bottom-up controls on stream food webs. To address this uncertainty, we are using an integrative experimental design to link GW-SW interactions to stream biogeochemistry and biota in 10 first-order streams in northwest Alaska. These study streams drain watersheds that span several gradients, including elevation, aspect, and vegetation (tundra vs. forest). We have developed a robust, multi-disciplinary data set to characterize GW-SW interactions and to mechanistically link GW-SW dynamics to water quality and the stream ecosystem. Data includes soil hydrology and chemistry; stream discharge, temperature, and inflow rates; water chemistry (including water isotopes, major ions, carbon concentration and isotopes, nutrients and chlorophyll-a), and invertebrate and fish communities. Stream recession curves indicate a decreasing rate later in the summer in some streams, consistent with seasonal thaw in lower elevation and south-facing catchments. Base cation and water isotope chemistry display similar impacts of seasonal thaw and also suggest the dominance of groundwater in many streams. Coupled with estimates of GW-SW exchange at point, reach, and catchment scales, these results will be used to predict how hydrology and water quality are likely to impact fish habitat and growth given continued warming at the arctic-boreal transition.

  9. Surface diffusion studies by optical diffraction techniques

    International Nuclear Information System (INIS)

    Xiao, X.D.

    1992-11-01

    The newly developed optical techniques have been combined with either second harmonic (SH) diffraction or linear diffraction off a monolayer adsorbate grating for surface diffusion measurement. Anisotropy of surface diffusion of CO on Ni(l10) was used as a demonstration for the second harmonic dim reaction method. The linear diffraction method, which possesses a much higher sensitivity than the SH diffraction method, was employed to study the effect of adsorbate-adsorbate interaction on CO diffusion on Ni(l10) surface. Results showed that only the short range direct CO-CO orbital overlapping interaction influences CO diffusion but not the long range dipole-dipole and CO-NI-CO interactions. Effects of impurities and defects on surface diffusion were further explored by using linear diffraction method on CO/Ni(110) system. It was found that a few percent S impurity can alter the CO diffusion barrier height to a much higher value through changing the Ni(110) surface. The point defects of Ni(l10) surface seem to speed up CO diffusion significantly. A mechanism with long jumps over multiple lattice distance initiated by CO filled vacancy is proposed to explain the observed defect effect

  10. Robust optimization of the billet for isothermal local loading transitional region of a Ti-alloy rib-web component based on dual-response surface method

    Science.gov (United States)

    Wei, Ke; Fan, Xiaoguang; Zhan, Mei; Meng, Miao

    2018-03-01

    Billet optimization can greatly improve the forming quality of the transitional region in the isothermal local loading forming (ILLF) of large-scale Ti-alloy ribweb components. However, the final quality of the transitional region may be deteriorated by uncontrollable factors, such as the manufacturing tolerance of the preforming billet, fluctuation of the stroke length, and friction factor. Thus, a dual-response surface method (RSM)-based robust optimization of the billet was proposed to address the uncontrollable factors in transitional region of the ILLF. Given that the die underfilling and folding defect are two key factors that influence the forming quality of the transitional region, minimizing the mean and standard deviation of the die underfilling rate and avoiding folding defect were defined as the objective function and constraint condition in robust optimization. Then, the cross array design was constructed, a dual-RSM model was established for the mean and standard deviation of the die underfilling rate by considering the size parameters of the billet and uncontrollable factors. Subsequently, an optimum solution was derived to achieve the robust optimization of the billet. A case study on robust optimization was conducted. Good results were attained for improving the die filling and avoiding folding defect, suggesting that the robust optimization of the billet in the transitional region of the ILLF was efficient and reliable.

  11. Surface studies of microcrystalline chitosan/poly(vinyl alcohol) mixtures

    Energy Technology Data Exchange (ETDEWEB)

    Lewandowska, Katarzyna, E-mail: reol@chem.uni.torun.pl [Nicolaus Copernicus University, Faculty of Chemistry, Chair of Chemistry and Photochemistry of Polymers, 7 Gagarin Street, 87-100 Torun (Poland)

    2012-12-15

    Highlights: Black-Right-Pointing-Pointer The surface properties were investigated by AFM, SEM and FTIR. Black-Right-Pointing-Pointer The AFM images showed the lamellar structure of PVA in the blend. Black-Right-Pointing-Pointer SEM microscopy confirmed the existence of microphase separation of components. Black-Right-Pointing-Pointer FTIR analysis showed the existence of a weak interaction. - Abstract: In the present study, the surface properties of microcrystalline chitosan (MCCh), poly(vinyl alcohol) (PVA) and MCCh/PVA blends (made from acetic acid solutions with the MCCh concentration ranging from 20% to 80%) have been studied by the tapping-mode atomic force microscopy (AFM), scanning electron microscopy (SEM) and Fourier transform infrared (FTIR) spectroscopy. The changes of topography images are considered by determining the root mean square (RMS, R{sub q}) deviation in the image data. For PVA samples, the transition between adjacent lamellae occurs through holes, islands, and bicontinuous structures. The AFM images showed also the lamellar structure of PVA in the blend. The crystalline topography of MCCh/PVA film surface suggests the presence of PVA on the top surface. The FTIR spectra of film blends, in the amide I and II region of MCCh and the hydroxyl stretching bands of PVA have been analyzed. FTIR analysis showed the existence of a weak interaction of the hydroxyl or amino groups of microcrystalline chitosan with hydroxyl groups of PVA.

  12. Surface studies of microcrystalline chitosan/poly(vinyl alcohol) mixtures

    International Nuclear Information System (INIS)

    Lewandowska, Katarzyna

    2012-01-01

    Highlights: ► The surface properties were investigated by AFM, SEM and FTIR. ► The AFM images showed the lamellar structure of PVA in the blend. ► SEM microscopy confirmed the existence of microphase separation of components. ► FTIR analysis showed the existence of a weak interaction. - Abstract: In the present study, the surface properties of microcrystalline chitosan (MCCh), poly(vinyl alcohol) (PVA) and MCCh/PVA blends (made from acetic acid solutions with the MCCh concentration ranging from 20% to 80%) have been studied by the tapping-mode atomic force microscopy (AFM), scanning electron microscopy (SEM) and Fourier transform infrared (FTIR) spectroscopy. The changes of topography images are considered by determining the root mean square (RMS, R q ) deviation in the image data. For PVA samples, the transition between adjacent lamellae occurs through holes, islands, and bicontinuous structures. The AFM images showed also the lamellar structure of PVA in the blend. The crystalline topography of MCCh/PVA film surface suggests the presence of PVA on the top surface. The FTIR spectra of film blends, in the amide I and II region of MCCh and the hydroxyl stretching bands of PVA have been analyzed. FTIR analysis showed the existence of a weak interaction of the hydroxyl or amino groups of microcrystalline chitosan with hydroxyl groups of PVA.

  13. Ternary fluid mixture confined between surfaces: Surface-induced phase transition and long-range oscillatory forces

    NARCIS (Netherlands)

    Banerjee, S.; Mulder, P.; Kleijn, J.M.; Cohen Stuart, M.A.

    2012-01-01

    Surface forces between a soft cellulose surface and a hard silica particle were measured in wet hexane with or without the addition of a surfactant. In the absence of a surfactant, the adhesion force was enhanced as a result of capillary condensation of water. The effect of the surfactant in

  14. Rapid Deceleration-Driven Wetting Transition during Pendant Drop Deposition on Superhydrophobic Surfaces

    Science.gov (United States)

    Kwon, Hyuk-Min; Paxson, Adam T.; Varanasi, Kripa K.; Patankar, Neelesh A.

    2011-01-01

    A hitherto unknown mechanism for wetting transition is reported. When a pendant drop settles upon deposition, there is a virtual “collision” where its center of gravity undergoes rapid deceleration. This induces a high water hammer-type pressure that causes wetting transition. A new phase diagram shows that both large and small droplets can transition to wetted states due to the new deceleration driven and the previously known Laplace mechanisms, respectively. It is explained how the attainment of a nonwetted Cassie-Baxter state is more restrictive than previously known.

  15. Study Paths, Riemann Surfaces, and Strebel Differentials

    Science.gov (United States)

    Buser, Peter; Semmler, Klaus-Dieter

    2017-01-01

    These pages aim to explain and interpret why the late Mika Seppälä, a conformal geometer, proposed to model student study behaviour using concepts from conformal geometry, such as Riemann surfaces and Strebel differentials. Over many years Mika Seppälä taught online calculus courses to students at Florida State University in the United States, as…

  16. Dose-dependent transitions in mechanisms of toxicity: case studies

    International Nuclear Information System (INIS)

    Slikker, William; Andersen, Melvin E.; Bogdanffy, Matthew S.; Bus, James S.; Cohen, Steven D.; Conolly, Rory B.; David, Raymond M.; Doerrer, Nancy G.; Dorman, David C.; Gaylor, David W.; Hattis, Dale; Rogers, John M.; Setzer, R. Woodrow; Swenberg, James A.; Wallace, Kendall

    2004-01-01

    Experience with dose response and mechanisms of toxicity has shown that multiple mechanisms may exist for a single agent along the continuum of the full dose-response curve. It is highly likely that critical, limiting steps in any given mechanistic pathway may become overwhelmed with increasing exposures, signaling the emergence of new modalities of toxic tissue injury at these higher doses. Therefore, dose-dependent transitions in principal mechanisms of toxicity may occur, and could have significant impact on the interpretation of reference data sets for risk assessment. To illustrate the existence of dose-dependent transitions in mechanisms of toxicity, a group of academic, government, and industry scientists, formed under the leadership of the ILSI Health and Environmental Sciences Institute (HESI), developed a series of case studies. These case studies included acetaminophen, butadiene, ethylene glycol, formaldehyde, manganese, methylene chloride, peroxisome proliferator-activated receptor (PPAR), progesterone/hydroxyflutamide, propylene oxide, vinyl acetate, vinyl chloride, vinylidene chloride, and zinc. The case studies formed the basis for technical discourse at two scientific workshops in 2003

  17. Study of Transitions between Wetting States on Microcavity Arrays by Optical Transmission Microscopy

    DEFF Research Database (Denmark)

    Søgaard, Emil; Andersen, Nis Korsgaard; Smistrup, Kristian

    2014-01-01

    In this article, we present a simple and fast optical method based on transmission microscopy to study the stochastic wetting transitions on micro- and nanostructured polymer surfaces immersed in water. We analyze the influence of immersion time and the liquid pressure on the degree of water......-Laplace equation for the water menisci in the cavities and the diffusion of dissolved gas molecules in the water. In addition, the wetting transitions had a stochastic nature, which resulted from the short diffusion distance for dissolved gas molecules in the water between neighboring cavities. Furthermore, we...... compared the contact angle properties of two polymeric materials (COC and PP) with moderate hydrophobicity. We attributed the difference in the water repellency of the two materials to a difference in the wetting of their nanostructures. Our experimental observations thus indicate that both the diffusion...

  18. Surface pH controls purple-to-blue transition of bacteriorhodopsin. A theoretical model of purple membrane surface

    OpenAIRE

    Szundi, I.; Stoeckenius, W.

    1989-01-01

    We have developed a surface model of purple membrane and applied it in an analysis of the purple-to-blue color change of bacteriorhodopsin which is induced by acidification or deionization. The model is based on dissociation and double layer theory and the known membrane structure. We calculated surface pH, ion concentrations, charge density, and potential as a function of bulk pH and concentration of mono- and divalent cations. At low salt concentrations, the surface pH is significantly lowe...

  19. Butterfly magnetoresistance, quasi-2D Dirac Fermi surface and topological phase transition in ZrSiS.

    Science.gov (United States)

    Ali, Mazhar N; Schoop, Leslie M; Garg, Chirag; Lippmann, Judith M; Lara, Erik; Lotsch, Bettina; Parkin, Stuart S P

    2016-12-01

    Magnetoresistance (MR), the change of a material's electrical resistance in response to an applied magnetic field, is a technologically important property that has been the topic of intense study for more than a quarter century. We report the observation of an unusual "butterfly"-shaped titanic angular magnetoresistance (AMR) in the nonmagnetic Dirac material, ZrSiS, which we find to be the most conducting sulfide known, with a 2-K resistivity as low as 48(4) nΩ⋅cm. The MR in ZrSiS is large and positive, reaching nearly 1.8 × 10 5 percent at 9 T and 2 K at a 45° angle between the applied current ( I || a ) and the applied field (90° is H || c ). Approaching 90°, a "dip" is seen in the AMR, which, by analyzing Shubnikov de Haas oscillations at different angles, we find to coincide with a very sharp topological phase transition unlike any seen in other known Dirac/Weyl materials. We find that ZrSiS has a combination of two-dimensional (2D) and 3D Dirac pockets comprising its Fermi surface and that the combination of high-mobility carriers and multiple pockets in ZrSiS allows for large property changes to occur as a function of angle between applied fields. This makes it a promising platform to study the physics stemming from the coexistence of 2D and 3D Dirac electrons as well as opens the door to creating devices focused on switching between different parts of the Fermi surface and different topological states.

  20. Butterfly magnetoresistance, quasi-2D Dirac Fermi surface and topological phase transition in ZrSiS

    Science.gov (United States)

    Ali, Mazhar N.; Schoop, Leslie M.; Garg, Chirag; Lippmann, Judith M.; Lara, Erik; Lotsch, Bettina; Parkin, Stuart S. P.

    2016-01-01

    Magnetoresistance (MR), the change of a material’s electrical resistance in response to an applied magnetic field, is a technologically important property that has been the topic of intense study for more than a quarter century. We report the observation of an unusual “butterfly”-shaped titanic angular magnetoresistance (AMR) in the nonmagnetic Dirac material, ZrSiS, which we find to be the most conducting sulfide known, with a 2-K resistivity as low as 48(4) nΩ⋅cm. The MR in ZrSiS is large and positive, reaching nearly 1.8 × 105 percent at 9 T and 2 K at a 45° angle between the applied current (I || a) and the applied field (90° is H || c). Approaching 90°, a “dip” is seen in the AMR, which, by analyzing Shubnikov de Haas oscillations at different angles, we find to coincide with a very sharp topological phase transition unlike any seen in other known Dirac/Weyl materials. We find that ZrSiS has a combination of two-dimensional (2D) and 3D Dirac pockets comprising its Fermi surface and that the combination of high-mobility carriers and multiple pockets in ZrSiS allows for large property changes to occur as a function of angle between applied fields. This makes it a promising platform to study the physics stemming from the coexistence of 2D and 3D Dirac electrons as well as opens the door to creating devices focused on switching between different parts of the Fermi surface and different topological states. PMID:28028541

  1. Magnetic surface domain imaging of uncapped epitaxial FeRh(001) thin films across the temperature-induced metamagnetic transition

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Xianzhong; Matthes, Frank; Bürgler, Daniel E., E-mail: d.buergler@fz-juelich.de; Schneider, Claus M. [Peter Grünberg Institut, Electronic Properties (PGI-6) and Jülich-Aachen Research Alliance, Fundamentals of Future Information Technology (JARA-FIT), Forschungszentrum Jülich, D-52425 Jülich (Germany)

    2016-01-15

    The surface magnetic domain structure of uncapped epitaxial FeRh/MgO(001) thin films was imaged by in-situ scanning electron microscopy with polarization analysis (SEMPA) at various temperatures between 122 and 450 K. This temperature range covers the temperature-driven antiferromagnetic-to-ferromagnetic phase transition in the body of the films that was observed in-situ by means of the more depth-sensitive magneto-optical Kerr effect. The SEMPA images confirm that the interfacial ferromagnetism coexisting with the antiferromagnetic phase inside the film is an intrinsic property of the FeRh(001) surface. Furthermore, the SEMPA data display a reduction of the in-plane magnetization occuring well above the phase transition temperature which, thus, is not related to the volume expansion at the phase transition. This observation is interpreted as a spin reorientation of the surface magnetization for which we propose a possible mechanism based on temperature-dependent tetragonal distortion due to different thermal expansion coefficients of MgO and FeRh.

  2. Surface and Interface Studies with Radioactive Ions

    CERN Multimedia

    Weber, A

    2002-01-01

    Investigations on the atomic scale of magnetic surfaces and magnetic multilayers were performed by Perturbed Angular Correlation (PAC) spectroscopy. The unique combination of the Booster ISOLDE facility equipped with a UHV beamline and the UHV chamber ASPIC (Apparatus for Surface Physics and Interfaces at CERN) is ideally suited for such microscopic studies. Main advantages are the choice of problem-oriented radioactive probes and the purity of mass-separated beams. The following results were obtained: $\\,$i) Magnetic hyperfine fields (B$_{hf}$) of Se on Fe, Co, Ni surfaces were determined. The results prompted a theoretical study on the B$_{hf}$ values of the 4sp-elements in adatom position on Ni and Fe, confirming our results and predicting unexpected behaviour for the other elements. $\\,$ii) Exemplarily we have determined B$_{hf}$ values of $^{111}$Cd at many different adsorption sites on Ni surfaces. We found a strong dependence on the coordination number of the probes. With decreasing coordination nu...

  3. Nuclear stimulated desorption as a potential tool for surface study

    International Nuclear Information System (INIS)

    Nir, Dror.

    1993-03-01

    The described research work constitutes a base for an experimental method to be implemented in the study of solid surfaces. Nuclear Stimulated Desorption (NSD) is a new mode of experimentation in thin film and surface physics. It Is based on the interplay between nuclear phenomena (reactions and spontaneous decays), and atomic - scale induced effects on surfaces and very thin films. One may distinguish between two generically different relationships between the two. First, the dynamics of the nuclear reaction -primarily the recoil of the nucleus - may effect the position of the atom or molecule containing it. Second, the nuclear reaction (or decay) may serve as an analytical indicator of the whereabouts of the atom, or molecule, in question. In nuclear stimulated desorption, both thee aspects combine in an essential way. Namely, one employs a series of two consecutive decays (normally weak decays or isomeric transition) . The first of these decays causes the nucleus to desorb from a surface onto which it had been placed; the second serves to determine the position of the daughter and thereby the characteristics of the primary desorption . The essential feature in NSD is that it occurs almost exclusively from the outermost surface layer. This is because we choose to work with nuclei whose recoil energy Is of the same order of magnitude of the binding energy of the atom to the surface . Furthermore, the desorption probability and its angular (and temporal) characteristics, depend on the features (topology, morphology) of its immediate neighborhood. This work describes experiments which were designed to give relevant, phenomenological information about the outgoing flux of the radioactive daughters (for specifically chosen nuclear species) , and in particular the magnitude of the flux, its time dependence and its charged state. In addition. the basic phenomena itself is being distinguished from competing processes (thermal desorption, in particular). We will now

  4. First-principles study of doping effect on the phase transition of zinc oxide with transition metal doped

    International Nuclear Information System (INIS)

    Wu, Liang; Hou, Tingjun; Wang, Yi; Zhao, Yanfei; Guo, Zhenyu; Li, Youyong; Lee, Shuit-Tong

    2012-01-01

    Highlights: ► We study the doping effect on B4, B1 structures and phase transition of ZnO. ► We calculate the phase transition barrier and phase transition path of doped ZnO. ► The transition metal doping decreases the bulk modulus and phase transition pressure. ► The magnetic properties are influenced by the phase transition process. - Abstract: Zinc oxide (ZnO) is a promising material for its wide application in solid-state devices. With the pressure raised from an ambient condition, ZnO transforms from fourfold wurtzite (B4) to sixfold coordinated rocksalt (B1) structure. Doping is an efficient approach to improve the structures and properties of materials. Here we use density-functional theory (DFT) to study doped ZnO and find that the transition pressure from B4 phase to B1 phase of ZnO always decreases with different types of transition metal (V, Cr, Mn, Fe, Co, or Ni) doped, but the phase transition path is not affected by doping. This is consistent with the available experimental results for Mn-doped ZnO and Co-doped ZnO. Doping in ZnO causes the lattice distortion, which leads to the decrease of the bulk modulus and accelerates the phase transition. Mn-doped ZnO shows the strongest magnetic moment due to its half filled d orbital. For V-doped ZnO and Cr-doped ZnO, the magnetism is enhanced by phase transition from B4 to B1. But for Mn-doped ZnO, Fe-doped ZnO, Co-doped ZnO, and Ni-doped ZnO, B1 phase shows weaker magnetic moment than B4 phase. These results can be explained by the amount of charge transferred from the doped atom to O atom. Our results provide a theoretical basis for the doping approach to change the structures and properties of ZnO.

  5. Effect of hydrolyzed whey protein on surface morphology, water sorption, and glass transition temperature of a model infant formula.

    Science.gov (United States)

    Kelly, Grace M; O'Mahony, James A; Kelly, Alan L; O'Callaghan, Donal J

    2016-09-01

    Physical properties of spray-dried dairy powders depend on their composition and physical characteristics. This study investigated the effect of hydrolyzed whey protein on the microstructure and physical stability of dried model infant formula. Model infant formulas were produced containing either intact (DH 0) or hydrolyzed (DH 12) whey protein, where DH=degree of hydrolysis (%). Before spray drying, apparent viscosities of liquid feeds (at 55°C) at a shear rate of 500 s(-1) were 3.02 and 3.85 mPa·s for intact and hydrolyzed infant formulas, respectively. On reconstitution, powders with hydrolyzed whey protein had a significantly higher fat globule size and lower emulsion stability than intact whey protein powder. Lactose crystallization in powders occurred at higher relative humidity for hydrolyzed formula. The Guggenheim-Anderson-de Boer equation, fitted to sorption isotherms, showed increased monolayer moisture when intact protein was present. As expected, glass transition decreased significantly with increasing water content. Partial hydrolysis of whey protein in model infant formula resulted in altered powder particle surface morphology, lactose crystallization properties, and storage stability. Copyright © 2016 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

  6. Distribution of tributyltin in surface sediments from transitional marine-lagoon system of the south-eastern Baltic Sea, Lithuania.

    Science.gov (United States)

    Suzdalev, Sergej; Gulbinskas, Saulius; Blažauskas, Nerijus

    2015-02-01

    The current research paper presents the results of contamination by tributyltin (TBT) compounds in Klaipėda Port, which is situated in a unique marine-lagoon water interaction zone. One hundred fifty-four surface sediment samples have been taken along the whole transition path from lagoon to the sea and analysed in order to quantify the contamination rate in specific environment of high anthropogenic pressure. The detected TBT concentrations ranged from 1 to 5,200 ng Sn g(-1) of dry weight of sediment. The back-trace of horizontal distribution of TBT-contaminated sediments show obvious increase of tributyltin concentrations closer to port areas dealing with ship repair and places of dry-docking facilities. This is a clear indication that those activities are the main source of contamination in the study area. The estimated correlation of TBT concentration in sediments with total organic carbon and the amount of fine fraction (tributyltin is related to potential contamination source areas (ship repairing, dockyards) due to direct input of hazardous substances into the water.

  7. Transitions in Structure in Oil-in-Water Emulsions As Studied by Diffusing Wave Spectroscopy

    NARCIS (Netherlands)

    Ruis, H.G.M.; Gruijthuijsen, van K.; Venema, P.; Linden, van der E.

    2007-01-01

    Transitions in structure of sodium caseinate stabilized emulsions were studied using conventional rheometry as well as diffusing wave spectroscopy (DWS). Structural differences were induced by different amounts of stabilizer, and transitions in structure were induced by acidification. Special

  8. System Operations Studies for Automated Guideway Transit Systems : Discrete Event Simulation Model Programmer's Manual

    Science.gov (United States)

    1982-07-01

    In order to examine specific automated guideway transit (AGT) developments and concepts, UMTA undertook a program of studies and technology investigations called Automated Guideway Transit Technology (AGTT) Program. The objectives of one segment of t...

  9. Comparative study of the synthesis of layered transition metal molybdates

    International Nuclear Information System (INIS)

    Mitchell, S.; Gomez-Aviles, A.; Gardner, C.; Jones, W.

    2010-01-01

    Mixed metal oxides (MMOs) prepared by the mild thermal decomposition of layered double hydroxides (LDHs) differ in their reactivity on exposure to aqueous molybdate containing solutions. In this study, we investigate the reactivity of some T-Al containing MMOs (T=Co, Ni, Cu or Zn) towards the formation of layered transition metal molybdates (LTMs) possessing the general formula AT 2 (OH)(MoO 4 ) 2 .H 2 O, where A=NH 4 + , Na + or K + . The phase selectivity of the reaction was studied with respect to the source of molybdate, the ratio of T to Mo and the reaction pH. LTMs were obtained on reaction of Cu-Al and Zn-Al containing MMOs with aqueous solutions of ammonium heptamolybdate. Rehydration of these oxides in the presence of sodium or potassium molybdate yielded a rehydrated LDH phase as the only crystalline product. The LTM products obtained by the rehydration of MMO precursors were compared with LTMs prepared by direct precipitation from the metal salts in order to study the influence of preparative route on their chemical and physical properties. Differences were noted in the composition, morphology and thermal properties of the resulting products. - Graphical abstract: Mixed metal oxides (MMOs) derived from layered double hydroxide precursors differ in their reactivity on exposure to aqueous molybdate containing solutions. We investigate the influence of the molybdate source, the rehydration pH and the ratio of T/Mo on the reactivity of some T-Al containing MMOs (T=Co, Ni, Cu or Zn) towards the formation of layered transition metal molybdates of general formula AT 2 (OH)(MoO 4 ) 2 .H 2 O (where A + =NH 4 + , K + or Na + ).

  10. Transition radiation electron beam diagnostic study at ATF

    International Nuclear Information System (INIS)

    Qiu, X.Z.; Wang, X.J.; Batchelor, K.; Ben-Zvi, I.

    1995-01-01

    Recently we have started a program to develop transition radiation based electron beam diagnostics at the Accelerator Test Facility at Brookhaven National Laboratory. In this paper, we will discuss a technique to estimate the lower limit in electron beam divergence measurement with single foil transition radiation and two-foil transition radiation interferometer. Preliminary experimental data from 4.5 MeV electron beam will be presented

  11. Thermodynamical and structural properties of solid surfaces in the high temperature range by molecular dynamics solution: evidence for a roughening transition on the F.C.C. {110} surface

    International Nuclear Information System (INIS)

    Rosato, Vittorio

    1986-01-01

    We have studied by Molecular Dynamics simulation the thermodynamical and structural properties of the {110} solid Argon surface as a function of temperature up to T m . The following results have been obtained: 1) the Arrhenius plot indicates that for T> 0.7 T m the defect creation becomes a nearly athermal process. The measured surface diffusion coefficients are very high and are comparable with those observed in the liquid state. 2) the long range order is preserved at least up to T= 0.94 T m . The thermal disorder is related to the onset of a roughening transition on that surface at T ≅ 0.7 T m . Surface layers are not melted in the whole range of temperature we have studied. Furthermore we have investigated the influence of constraints on the surface structure for the same model system previously used at T = 0.48 T m . We have shown that both temperature and constraints induce disorder on surface: for constraints corresponding to elastic deformations of -5 pc applied along the dense axis {110}, the surface structure results to be very similar to that obtained, without constraints, at a higher temperature (T = 0.68 T m ). The implications of our bindings in several areas of Materials Science are briefly discussed. (author) [fr

  12. Transition and Students with Mild Intellectual Disability: Findings From the National Longitudinal Transition Study-2

    Science.gov (United States)

    Bouck, Emily C.; Joshi, Gauri S.

    2016-01-01

    Students with intellectual disability historically struggle with post-school outcomes. However, much of the research on students with intellectual disability relative to post-school outcomes and transition services is aggregated for students with mild, moderate, and severe intellectual disability. This secondary analysis of the National…

  13. Aging studies for the ATLAS Transition Radiation Tracker (TRT)

    CERN Document Server

    Åkesson, T; Bondarenko, V; Capéans-Garrido, M; Catinaccio, A; Cwetanski, Peter; Danielsson, H; Dittus, F; Dolgoshein, B A; Dressnandt, N; Ebenstein, W L; Eerola, Paule Anna Mari; Farthouat, Philippe; Fedin, O; Froidevaux, D; Gavrilenko, I; Grichkevitch, Y; Gagnon, P; Hajduk, Z; Keener, P T; Kekelidze, G D; Konovalov, S; Kowalski, T; Kramarenko, V A; Laritchev, A; Lichard, P; Lundberg, B; Luehring, F C; Markina, I; Manara, A; McFarlane, K; Mitsou, V; Muraviev, S; Newcomer, F M; Ogren, H; Oh, S H; Olszowska, J; Peshekhonov, V D; Rembser, C; Romaniouk, A; Rhone, O; Rust, D R; Shchegelskii, V; Shmeleva, A; Smirnov, S; Smirnova, L N; Sosnovtsev, V V; Sutchkov, S; Tartarelli, F; Tikhomirov, V; Van Berg, R; Vassilieva, L; Wang, C; Williams, H H

    2003-01-01

    A summary of the aging and material validation studies carried out for the ATLAS Transition Radiation Tracker (TRT) is presented. Particular emphasis is put on the different phenomena observed in straw tubes operating with the chosen Xe/CF//4/CO//2 mixture. The most serious effects observed are silicon deposition on the anode wire and damage of the anode wire gold plating. Etching phenomena and active radical effects are also discussed. With a careful choice of all materials and components, and with good control of the water contamination in the active gas, the ATLAS TRT will operate reliably for 10 years at the LHC design luminosity. To demonstrate this fully, more work is still needed on the gas system purification elements, in particular to understand their interplay with the active species containing fluorine created in the avalanche process under irradiation.

  14. A Study of Radiative Bottomonium Transitions using Converted Photons

    International Nuclear Information System (INIS)

    Lees, J.P.

    2011-01-01

    The authors use (111 ± 1) million Υ(3S) and (89 ± 1) million Υ(2S) events recorded by the BABAR detector at the PEP-II B-factory at SLAC to perform a study of radiative transitions betwen bottomonium states using photons that have been converted to e + e - pairs by the detector material. They observe Υ(3S) → γχ b0,2 (1P) decay, make precise measurements of the branching fractions for χ b1,2 (1P, 2P) → γΥ(1S) and χ b1,2 (2P) → γΥ(2S) decays, and search for radiative decay to the η b (1S) and η b (2S) states.

  15. Use of neutrals backscattering for studying the vibrational properties of solid surfaces

    International Nuclear Information System (INIS)

    Lapujoulade, J.

    1975-01-01

    The neutrals (rare gases) elastic scattering may be used for studying some interesting properties of surfaces. However, an analysis of inelastic phenomena is mostly to be performed when vibrational properties of metallic surfaces are investigated. The dispersion relation of surface phonons has not yet been experimentally obtained from neutrals backscattering from solid surfaces, but the quasi-elastic scattering of helium should give this information on condition that velocity measurements are refined in view of directly obtained the distribution function rather than its moments and determining the preponderance of one-phonon transitions, or obtaining a detailed description of many-phonon exchanges [fr

  16. Theoretical studies of potential energy surfaces and computational methods

    Energy Technology Data Exchange (ETDEWEB)

    Shepard, R. [Argonne National Laboratory, IL (United States)

    1993-12-01

    This project involves the development, implementation, and application of theoretical methods for the calculation and characterization of potential energy surfaces involving molecular species that occur in hydrocarbon combustion. These potential energy surfaces require an accurate and balanced treatment of reactants, intermediates, and products. This difficult challenge is met with general multiconfiguration self-consistent-field (MCSCF) and multireference single- and double-excitation configuration interaction (MRSDCI) methods. In contrast to the more common single-reference electronic structure methods, this approach is capable of describing accurately molecular systems that are highly distorted away from their equilibrium geometries, including reactant, fragment, and transition-state geometries, and of describing regions of the potential surface that are associated with electronic wave functions of widely varying nature. The MCSCF reference wave functions are designed to be sufficiently flexible to describe qualitatively the changes in the electronic structure over the broad range of geometries of interest. The necessary mixing of ionic, covalent, and Rydberg contributions, along with the appropriate treatment of the different electron-spin components (e.g. closed shell, high-spin open-shell, low-spin open shell, radical, diradical, etc.) of the wave functions, are treated correctly at this level. Further treatment of electron correlation effects is included using large scale multireference CI wave functions, particularly including the single and double excitations relative to the MCSCF reference space. This leads to the most flexible and accurate large-scale MRSDCI wave functions that have been used to date in global PES studies.

  17. Complex Effects of Free Stream Turbulence and Surface Roughness on the Transitional Intermittency

    Czech Academy of Sciences Publication Activity Database

    Hladík, Ondřej; Jonáš, Pavel; Mazur, Oton; Uruba, Václav

    2012-01-01

    Roč. 14, 4a (2012), s. 47-52 ISSN 1335-4205 R&D Projects: GA ČR GAP101/12/1271 Institutional research plan: CEZ:AV0Z20760514 Keywords : by-pass transition * rough wall boundary layer * CTA anemometry * instantaneous wall friction * intermittency analysis Subject RIV: BK - Fluid Dynamics

  18. Direct observation of the lattice precursor of the metal-to-insulator transition in V2O3 thin films by surface acoustic waves

    Science.gov (United States)

    Kündel, J.; Pontiller, P.; Müller, C.; Obermeier, G.; Liu, Z.; Nateprov, A. A.; Hörner, A.; Wixforth, A.; Horn, S.; Tidecks, R.

    2013-03-01

    A surface acoustic wave (SAW) delay line is used to study the metal-to-insulator (MI) transition of V2O3 thin films deposited on a piezoelectric LiNbO3 substrate. Effects contributing to the sound velocity shift of the SAW which are caused by elastic properties of the lattice of the V2O3 films when changing the temperature are separated from those originating from the electrical conductivity. For this purpose the electric field accompanying the elastic wave of the SAW has been shielded by growing the V2O3 film on a thin metallic Cr interlayer (coated with Cr2O3), covering the piezoelectric substrate. Thus, the recently discovered lattice precursor of the MI transition can be directly observed in the experiments, and its fine structure can be investigated.

  19. A comparative study of different methods for calculating electronic transition rates

    Science.gov (United States)

    Kananenka, Alexei A.; Sun, Xiang; Schubert, Alexander; Dunietz, Barry D.; Geva, Eitan

    2018-03-01

    We present a comprehensive comparison of the following mixed quantum-classical methods for calculating electronic transition rates: (1) nonequilibrium Fermi's golden rule, (2) mixed quantum-classical Liouville method, (3) mean-field (Ehrenfest) mixed quantum-classical method, and (4) fewest switches surface-hopping method (in diabatic and adiabatic representations). The comparison is performed on the Garg-Onuchic-Ambegaokar benchmark charge-transfer model, over a broad range of temperatures and electronic coupling strengths, with different nonequilibrium initial states, in the normal and inverted regimes. Under weak to moderate electronic coupling, the nonequilibrium Fermi's golden rule rates are found to be in good agreement with the rates obtained via the mixed quantum-classical Liouville method that coincides with the fully quantum-mechanically exact results for the model system under study. Our results suggest that the nonequilibrium Fermi's golden rule can serve as an inexpensive yet accurate alternative to Ehrenfest and the fewest switches surface-hopping methods.

  20. A pulsed source neutron reflectometer for surface studies

    International Nuclear Information System (INIS)

    Penfold, J.; Williams, W.G.

    1985-05-01

    A design for a neutron reflectometer for surface studies to be constructed at the SNS is presented. Examples of its use to study problems in surface chemistry, surface magnetism and low dimensional structures are highlighted. (author)

  1. Understanding of catalysis on early transition metal oxide-based catalysts through exploration of surface structure and chemistry during catalysis using in-situ approaches

    Energy Technology Data Exchange (ETDEWEB)

    Tao, Franklin [Univ. of Kansas, Lawrence, KS (United States). Dept. of Chemical and Petroleum Engineering. Dept. of Chemistry

    2015-09-14

    Two main categories of heterogeneous catalysts are metal and metal oxide which catalyze 80% chemical reactions at solid-gas and solid-liquid interfaces. Metal oxide catalysts are much more complicated than metal catalysts. The reason is that the cations of the metal atoms could exhibit a few different oxidation states on surface of the same catalyst particle such as Co3O4 or change of their oxidation states under different reactive environments. For a metal catalyst, there is only one oxidation state typically. In addition, surface of a metal oxide can be terminated with multiple surface functionalities including O atoms with different binding configurations and OH group. For metal, only metal atoms are exposed typically. Obviously, the complication of surface chemistry and structure of a metal oxide makes studies of surface of an oxide catalyst very challenging. Due to the complication of surface of a meal oxide, the electronic and geometric structures of surface of a metal oxide and the exposed species have received enormous attention since oxide catalysts catalyze at least 1/3 chemical reactions in chemical and energy industries. Understanding of catalytic reactions on early transition metal oxide-based catalysts is fundamentally intriguing and of great practical interest in energy- and environment-related catalysis. Exploration of surface chemistry of oxide-based catalysts at molecular level during catalysis has remained challenging though it is critical in deeply understanding catalysis on oxide-based catalysts and developing oxide-based catalysts with high activity and selectivity. Thus, the overall objective of this project is to explore surface chemistry and structure of early transition metal oxide-based catalysts through in-situ characterization of surface of catalysts, measurements of catalytic performances, and then build an intrinsic correlation of surface chemistry and structure with their catalytic performances in a few

  2. Some neutron scattering studies on magnetic and molecular phase transitions

    International Nuclear Information System (INIS)

    Bevaart, L.

    1978-01-01

    In this thesis neutron-scattering investigations on two different systems are described. The first study is concerned with the magnetic ordering phenomena in pseudo two-dimensional (d = 2), two-component antiferromagnets K 2 Mnsub(1-x)Msub(x)F 4 (M = Fe, Co), as a function of the composition x and temperature T. For one of the samples in this series, K 2 Musub(0.978)Fesub(0.022)F 4 , the influence of an external magnetic field on the ordering characteristics was studied in addition. The second study deals with the rotational motions of the NH 4 + groups in NH 4 ZnF 3 in relation with the structural phase transition at Tsub(c) = 115.1 K. The experimental techniques were chosen according to the requirements of each of these two subjects. The former study was carried out by observing the elastic magnetic neutron scattering with a double-axis diffractometer, whereas for the latter study time-of-flight (TOF) techniques were applied to observe the inelastic and quasi-elastic incoherent neutron scattering by the protons of the rotating NH 4 + groups. (Auth.)

  3. Two and three electron Auger transitions in collisions of highly-charged ions with surfaces

    International Nuclear Information System (INIS)

    Moretto-Capelle, P.; Bordenave-Montesquieu, A.; Benoit-Cattin, P.; Andriamonje, S.; Andrae, H.J.

    1991-01-01

    The Auger electron spectra from Ar 9+ approaching at 265 eV a Si or metal surface in vacua of 10 -5 Pa or UHV are identical. Experiments on atomic physics in front of surfaces are thus possible in standard vacuum. N 7+ approaching a surface at 1000 eV penetrates with great probability into the bulk and gives rise to K 2 L 2 L double Auger lines, observed for the first time with low energy highly charged ions. (orig.)

  4. Boundary layer transition observations on a body of revolution with surface heating and cooling in water

    Science.gov (United States)

    Arakeri, V. H.

    1980-04-01

    Boundary layer flow visualization in water with surface heat transfer was carried out on a body of revolution which had the predicted possibility of laminar separation under isothermal conditions. Flow visualization was by in-line holographic technique. Boundary layer stabilization, including elimination of laminar separation, was observed to take place on surface heating. Conversely, boundary layer destabilization was observed on surface cooling. These findings are consistent with the theoretical predictions of Wazzan et al. (1970).

  5. Ferromagnetic transitions of a spin-one Ising film in a surface and bulk transverse fields

    International Nuclear Information System (INIS)

    Saber, A.; Lo Russo, S.; Mattei, G.; Mattoni, A.

    2002-01-01

    Using the effective field theory method, we have calculated the Curie temperature of a spin-one Ising ferromagnetic film in a surface and bulk transverse fields. Numerical calculations give phase diagrams under various parameters. Surface exchange enhancement is considered. The dependence of the critical transverse field on film thickness, and phase diagrams in the fields, critical surface transverse field versus the bulk one are presented

  6. Effect of metallic and hyperbolic metamaterial surfaces on electric and magnetic dipole emission transitions

    DEFF Research Database (Denmark)

    Ni, X.; Naik, G. V.; Kildishev, A. V.

    2011-01-01

    Spontaneous emission patterns of electric and magnetic dipoles on different metallic surfaces and a hyperbolic metamaterial (HMM) surface were simulated using the dyadic Green’s function technique. The theoretical approach was verified by experimental results obtained by measuring angular......-dependent emission spectra of europium ions on top of different films. The results show the modified behavior of electric and magnetic dipoles on metallic and HMM surfaces. The results of numerical calculations agree well with experimental data....

  7. Stable isotopes of transition and post-transition metals as tracers in environmental studies

    Science.gov (United States)

    Bullen, Tomas D.; Baskaran, Mark

    2011-01-01

    The transition and post-transition metals, which include the elements in Groups 3–12 of the Periodic Table, have a broad range of geological and biological roles as well as industrial applications and thus are widespread in the environment. Interdisciplinary research over the past decade has resulted in a broad understanding of the isotope systematics of this important group of elements and revealed largely unexpected variability in isotope composition for natural materials. Significant kinetic and equilibrium isotope fractionation has been observed for redox sensitive metals such as iron, chromium, copper, molybdenum and mercury, and for metals that are not redox sensitive in nature such as cadmium and zinc. In the environmental sciences, the isotopes are increasingly being used to understand important issues such as tracing of metal contaminant sources and fates, unraveling metal redox cycles, deciphering metal nutrient pathways and cycles, and developing isotope biosignatures that can indicate the role of biological activity in ancient and modern planetary systems.

  8. University Transitions and Gender: From Choice of Studies to Academic Career Development

    Science.gov (United States)

    Villar, Alícia; Hernàndez, Francesc Jesús

    2014-01-01

    Based on the results of the authors' research using a case study of a Spanish university, the sociological component of gender is an important factor in building transitions at university. When the authors refer to university transitions they are talking about two periods. Firstly, they refer to the transition of undergraduate students from upper…

  9. Model for H-, D- production by hydrogen backscattering from alkali and alkali/transition-metal surfaces

    International Nuclear Information System (INIS)

    Hiskes, J.R.; Schneider, P.J.

    1980-01-01

    A model for H - , D - production by energetic particles reflecting from metal surfaces is discussed. The model employs the energy and angular distribution data derived from the Marlowe code. The model is applied to particles incident normally upon Cs, Ni, and Cs/Ni surfaces

  10. Low energy level density and surface instabilities in heavy transition nuclei

    International Nuclear Information System (INIS)

    Wieclawik, W. de; Foucher, R.; Dionisio, J.S.; Vieu, C.; Hoglund, A.; Watzig, W.

    1975-01-01

    A statistical analysis of Au, Pt, Hg nuclear levels was performed with Ericson's method. The odd mass gold experimental number of levels distributions are compared to the theoretical distributions corresponding to vibrational (Alaga and Kisslinger-Sorensen) and rotational (Stephens, Meyer-ter-Vehn) models. The Alaga model gives the most complete description of 193 Au, 195 Au levels and fits the lowest part of Gilbert-Cameron high energy distributions (deduced from the statistical model and neutron capture data). The Ericson's method shows other interesting features of Pt and Hg isotopes (i.e. level density dependence on nuclear shape and pairing correlations, evidence for phase transitions). Consequently, this method is a useful tool for guiding experimental as well as theoretical investigations of transition nuclei [fr

  11. Benchmark Database of Transition Metal Surface and Adsorption Energies from Many-Body Perturbation Theory

    DEFF Research Database (Denmark)

    Schmidt, Per Simmendefeldt; Thygesen, Kristian Sommer

    2018-01-01

    (RPA) is found to yield high accuracy for both adsorption and surface energies. In contrast, all the considered density functionals fail to describe both quantities accurately. This establishes the RPA as a universally accurate method for surface science. In the second part, we use the RPA to construct...... be significant. RPA is compared to the more advanced renormalized adiabatic LDA (rALDA) method for a subset of the reactions, and they are found to describe the adsorbate-metal bond as well as adsorbate-adsorbate interactions similarly. The RPA results are compared to a range of standard density functional...... theory methods typically employed for surface reactions representing the various rungs on Jacob's ladder. The deviations are found to be highly functional, surface, and reaction dependent. Our work establishes the RPA and rALDA methods as universally accurate full ab initio methods for surface science...

  12. Observation on Surface Change of Fragile Glass: Temperature - Time Dependence Studied by X-Ray Reflectivity

    International Nuclear Information System (INIS)

    Kikkawa, Hiroyuki; Kitahara, Amane; Takahashi, Isao

    2004-01-01

    The structural change of a fragile glass surface close to the glass transition temperature Tg is studied by using X-ray reflectivity. Measurements were performed on surfaces of maltitol, which is a typical polyalcohol fragile glass with Tg = 320K. Upon both heating and cooling, we find the following features which are also noticed in silicate glass surfaces: (i) On heating, the surface morphology indicates a variation at temperatures below Tg; (ii) A drastic increase in surface roughness occurs at a temperature about 333K on heating, which is 13K higher than Tg; (iii) During the cooling of the sample, formation of a low-density surface layer (3nm at 293K) is observed. Prior to the crystallization, nm - μm sized domains were grown at the surface, which might not be reported for other glasses

  13. Comparative study of the synthesis of layered transition metal molybdates

    Science.gov (United States)

    Mitchell, S.; Gómez-Avilés, A.; Gardner, C.; Jones, W.

    2010-01-01

    Mixed metal oxides (MMOs) prepared by the mild thermal decomposition of layered double hydroxides (LDHs) differ in their reactivity on exposure to aqueous molybdate containing solutions. In this study, we investigate the reactivity of some T-Al containing MMOs ( T=Co, Ni, Cu or Zn) towards the formation of layered transition metal molybdates (LTMs) possessing the general formula AT2(OH)(MoO 4) 2·H 2O, where A=NH 4+, Na + or K +. The phase selectivity of the reaction was studied with respect to the source of molybdate, the ratio of T to Mo and the reaction pH. LTMs were obtained on reaction of Cu-Al and Zn-Al containing MMOs with aqueous solutions of ammonium heptamolybdate. Rehydration of these oxides in the presence of sodium or potassium molybdate yielded a rehydrated LDH phase as the only crystalline product. The LTM products obtained by the rehydration of MMO precursors were compared with LTMs prepared by direct precipitation from the metal salts in order to study the influence of preparative route on their chemical and physical properties. Differences were noted in the composition, morphology and thermal properties of the resulting products.

  14. Light-scattering study of the glass transition in lubricants

    Science.gov (United States)

    Alsaad, M. A.; Winer, W. O.; Medina, F. D.; Oshea, D. C.

    1977-01-01

    The sound velocity of four lubricants has been measured as a function of temperature and pressure using Brillouin scattering. A change in slope of the velocity as a function of temperature or pressure allowed the determination of the glass transition temperature and pressure. The glass transition data were used to construct a phase diagram for each lubricant. The data indicate that the glass transition temperature increased with pressure at a rate which ranged from 120 to 200 C/GPa. The maximum pressure attained was 0.69 GPa and the temperature range was from 25 to 100 C.

  15. Gendered transitions to adulthood by college field of study in the United States

    OpenAIRE

    Siqi Han; Dmitry Tumin; Zhenchao Qian

    2016-01-01

    Background: Field of study may influence the timing of transitions to the labor market, marriage, and parenthood among college graduates. Research to date has yet to study how field of study is associated with the interweaving of these transitions in the USA. Objective: The current study examines gendered influences of college field of study on transitions to a series of adult roles, including full-time work, marriage, and parenthood. Methods: We use Cox proportional hazards models and ...

  16. Convective heat transfer from rough surfaces with two-dimensional ribs - transitional and laminar flow

    International Nuclear Information System (INIS)

    Dalle Donne, M.; Meyer, L.

    1978-01-01

    Measurements of friction factor and heat transfer coefficients for two rods of 18.9 mm 0.D. with two-dimensional roughness, each in two different outer smooth tubes have been performed in turbulent and laminar flow. The turbulent flow results indicate that the flow was not thermally fully established, the isothermal data however agree reasonably well with our previously obtained general correlation. Laminar flow results can be correlated best when the Reynolds and Greatz numbers are evaluated at the temperature average between the temperature of the inner rod surface and of the outer smooth surface of the annulus, the average being weighted over the two surfaces. (orig.) [de

  17. A KINEMATIC STUDY OF FINSWIMMING AT SURFACE

    Directory of Open Access Journals (Sweden)

    Pier-Giorgio Zanone

    2004-06-01

    Full Text Available Finswimming is a sport of speed practiced on the surface or underwater, in which performance is based on whole-body oscillations. The present study investigated the undulatory motion performed by finswimmers at the surface. This study aiming to analyze the influence of the interaction of gender, practice level, and race distance on selected kinematic parameters. Six elite and six novices finswimmers equipped with joints markers (wrist, elbow, shoulder, hip, knee, and ankle were recorded in the sagittal plane. The position of these anatomical marks was digitized at 50 Hz. An automated motion analysis software yielded velocity, vertical amplitude, frequency, and angular position. Results showed that stroke frequency decreased whereas the mean amplitude of all joints increased with increasing race distance (p < 0.01. Mean joint amplitude for the upper limbs (wrist, elbow and shoulder was smaller for experts than for novices. Whereas that of the ankle was larger, so that the oscillation amplitude increased from shoulder to ankle. Elite male finswimmers were pitching more acutely than female. Moreover, elite male finswimmers showed a smaller knee bending than novices and than elite females (p < 0.01. This indicated that elite male finswimmers attempt to reduce drag forces thanks to a weak knee bending and a low upper limbs pitch. To sum up, gender, expertise, and race distance affect the performance and its kinematics in terms frontal drag. Expertise in finswimming requires taking advantage of the mechanical constraints pertaining to hydrodynamic constraints in order to optimize performance

  18. Recent aging studies for the ATLAS transition radiation tracker

    CERN Document Server

    Capéans-Garrido, M; Anghinolfi, F; Arik, E; Baker, O K; Baron, S; Benjamin, D; Bertelsen, H; Bondarenko, V; Bychkov, V; Callahan, J; Cardiel-Sas, L; Catinaccio, A; Cetin, S A; Cwetanski, Peter; Dam, M; Danielsson, H; Dittus, F; Dologshein, B; Dressnandt, N; Driouichi, C; Ebenstein, W L; Eerola, Paule Anna Mari; Farthouat, Philippe; Fedin, O; Froidevaux, D; Gagnon, P; Grichkevitch, Y; Grigalashvili, N S; Hajduk, Z; Hansen, P; Kayumov, F; Keener, P T; Kekelidze, G D; Khristatchev, A; Konovalov, S; Koudine, L; Kovalenko, S; Kowalski, T; Kramarenko, V A; Krüger, K; Laritchev, A; Lichard, P; Luehring, F C; Lundberg, B; Maleev, V; Markina, I; McFarlane, K W; Mialkovski, V; Mindur, B; Mitsou, V A; Morozov, S; Munar, A; Muraviev, S; Nadtochy, A; Newcorner, F M; Ogren, H; Oh, S H; Olszowska, J; Passmore, S; Patritchev, S; Peshekhonov, V D; Petti, R; Price, M; Rembser, C; Rohne, O; Romaniouk, A; Rust, D R; Ryabov, Yu; Ryzhov, V; Shchegelskii, V; Seliverstov, D M; Shin, T; Shmeleva, A; Smirnov, S; Sosnovtsev, V V; Soutchkov, V; Spiridenkov, E; Szczygiel, R; Tikhomirov, V; Van Berg, R; Vassilakopoulos, V I; Vassilieva, L; Wang, C; Williams, H H; Zalite, A

    2004-01-01

    The transition radiation tracker (TRT) is one of the three subsystems of the inner detector of the ATLAS experiment. It is designed to operate for 10 yr at the LHC, with integrated charges of similar to 10 C/cm of wire and radiation doses of about 10 Mrad and 2 multiplied by 10**1**4 neutrons/cm**2. These doses translate into unprecedented ionization currents and integrated charges for a large-scale gaseous detector. This paper describes studies leading to the adoption of a new ionization gas regime for the ATLAS TRT. In this new regime, the primary gas mixture is 70%Xe-27%CO**2-3%O**2. It is planned to occasionally flush and operate the TRT detector with an Ar-based ternary mixture, containing a small percentage of CF**4, to remove, if needed, silicon pollution from the anode wires. This procedure has been validated in realistic conditions and would require a few days of dedicated operation. This paper covers both performance and aging studies with the new TRT gas mixture. 12 Refs.

  19. Moessbauer study of phase transitions under high hydrostatic pressures. 1

    International Nuclear Information System (INIS)

    Kapitanov, E.V.; Yakovlev, E.N.

    1979-01-01

    Experimental results of the hydrostatic pressure influence on Moessbauer spectrum parameters are obtained over the pressure range including the area of structural phase transition. A linear increase of the Moessbauer effect probability (recoilless fraction) is accompanied by a linear decrease of the electron density at tin nuclei within the pressure range foregoing the phase transition. The electric resistance and the recoilless fraction of the new phase of Mg 2 Sn are lower, but the electron density at tin nuclei is greater than the initial phase ones. Hydrostatic conditions allow to fix clearly the diphasic transition area and to determine the influence of the pressure on the Moessbauer line position and on the recoilless fraction of the high pressure phase. The phase transition heat Q = 415 cal mol -1 is calculated using recoilless fractions of the high and low pressure phases at 25 kbar. The present results are qualitatively and quantitatively different from the results, obtained at nonhydrostatic conditions. (author)

  20. A systematic first-principles study of surface energies, surface relaxation and Friedel oscillation of magnesium surfaces

    International Nuclear Information System (INIS)

    Tang, Jia-Jun; Yang, Xiao-Bao; Zhao, Yu-Jun; OuYang, LiuZhang; Zhu, Min

    2014-01-01

    We systematically study the surface energies and surface relaxations of various low-index and high-index Mg surfaces. It is found that low-index surfaces are not necessarily stable as Mg(1 0  1-bar  0) is the most unstable surface in the series of Mg(1 0  1-bar  n) (n = 0–9). A surface-energy predicting model based on the bond cutting is proposed to explain the relative surface stabilities. The local relaxations of the low-index surfaces could be explained by the Friedel oscillation. For the high-index surfaces, the combination of charge smoothing effect and dramatic charge depletion influences the relaxations, which show a big difference from the low-index ones. Our findings provide theoretical data for considerable insights into the surface energies of hexagonal close-packed metals. (paper)

  1. Major Successes of Theory-and-Experiment-Combined Studies in Surface Chemistry and Heterogeneous Catalysis.

    Energy Technology Data Exchange (ETDEWEB)

    Somorjai, Gabor A.; Li, Yimin

    2009-11-21

    Experimental discoveries followed by theoretical interpretations that pave the way of further advances by experimentalists is a developing pattern in modern surface chemistry and catalysis. The revolution of modern surface science started with the development of surface-sensitive techniques such as LEED, XPS, AES, ISS and SIMS, in which the close collaboration between experimentalists and theorists led to the quantitative determination of surface structure and composition. The experimental discovery of the chemical activity of surface defects and the trends in the reactivity of transitional metals followed by the explanations from the theoretical studies led to the molecular level understanding of active sites in catalysis. The molecular level knowledge, in turn, provided a guide for experiments to search for new generation of catalysts. These and many other examples of successes in experiment-and-theory-combined studies demonstrate the importance of the collaboration between experimentalists and theorists in the development of modern surface science.

  2. Fast wettability transition from hydrophilic to superhydrophobic laser-textured stainless steel surfaces under low-temperature annealing

    Science.gov (United States)

    Ngo, Chi-Vinh; Chun, Doo-Man

    2017-07-01

    Recently, the fabrication of superhydrophobic metallic surfaces by means of pulsed laser texturing has been developed. After laser texturing, samples are typically chemically coated or aged in ambient air for a relatively long time of several weeks to achieve superhydrophobicity. To accelerate the wettability transition from hydrophilicity to superhydrophobicity without the use of additional chemical treatment, a simple annealing post process has been developed. In the present work, grid patterns were first fabricated on stainless steel by a nanosecond pulsed laser, then an additional low-temperature annealing post process at 100 °C was applied. The effect of 100-500 μm step size of the textured grid upon the wettability transition time was also investigated. The proposed post process reduced the transition time from a couple of months to within several hours. All samples showed superhydrophobicity with contact angles greater than 160° and sliding angles smaller than 10° except samples with 500 μm step size, and could be applied in several potential applications such as self-cleaning and control of water adhesion.

  3. Long-term effect of BAK-free travoprost on ocular surface and intraocular pressure in glaucoma patients after transition from latanoprost.

    Science.gov (United States)

    Aihara, Makoto; Otani, Shin-ichiro; Kozaki, Jun; Unoki, Kazuhiko; Takeuchi, Masamitsu; Minami, Keiichiro; Miyata, Kazunori

    2012-01-01

    To assess the efficacy and tolerability of benzalkonium chloride (BAK)-free travoprost after transition from BAK-preserved latanoprost. This was a prospective, open-label, multicenter study in patients with open-angle glaucoma or ocular hypertension who had been treated with latanoprost monotherapy for at least 3 months. The main outcome measures were superficial punctate keratopathy (SPK), hyperemia, and intraocular pressure (IOP). At baseline, 1, 3, and 12 months, hyperemia, SPK, and IOP were consecutively assessed. Hyperemia was assessed using a 4-grade scale. SPK was assessed by fluorescence staining observed by Area-Density classification. The IOP was measured by Goldmann applanation tonometry. One hundred and fourteen patients participated in this study. Twenty-eight patients discontinued medications by 1 month. Sixty-seven patients completed the study. Transition from latanoprost to BAK-free travoprost showed no significant effect on hyperemia at 1 month, but showed significant decreases at 3 and 12 months compared with baseline (Preduction after the change in regimen compared with baseline (P<0.05). Treatment for 12 months with BAK-free travoprost after BAK-preserved latanoprost resulted in fewer ocular surface complications, as indicated by the reduced prevalence of SPK and decreased hyperemia, and no clinically relevant changes in IOP. BAK-free travoprost may have beneficial effects on the ocular surface while showing IOP-lowering efficacy comparable with BAK-preserved eye drops.

  4. Phase transition in lead titanate thin films: a Brillouin study

    International Nuclear Information System (INIS)

    Kuzel, P; Dugautier, C; Moch, P; Marrec, F Le; Karkut, M G

    2002-01-01

    The elastic properties of both polycrystalline and epitaxial PbTiO 3 (PTO) thin films are studied using Brillouin scattering spectroscopy. The epitaxial PTO films were prepared by pulsed laser ablation on (1) a [0 0 1] single crystal of SrTiO 3 (STO) doped with Nb and (2) a [0 0 1] STO buffered with a layer of YBa 2 Cu 3 O 7 . The polycrystalline PTO films were prepared by sol-gel on a Si substrate buffered with TiO 2 and Pt layers. The data analysis takes into account the ripple and the elasto-optic contributions. The latter significantly affects the measured spectra since it gives rise to a Love mode in the p-s scattering geometry. At room temperature, the spectra of the epitaxially grown samples are interpreted using previously published elastic constants of PTO single crystals. Sol-gel samples exhibit appreciable softening of the effective elastic properties compared to PTO single crystals: this result is explained by taking into account the random orientation of the microscopic PTO grains. For both the polycrystalline and the epitaxial films we have determined that the piezoelectric terms do not contribute to the spectra. The temperature dependence of the spectra shows strong anomalies of the elastic properties near the ferroelectric phase transition. Compared to the bulk, T C is higher in the sol-gel films, while in the epitaxial films the sign of the T C shift depends on the underlying material

  5. Study of Electric Monopole Transitions in $^{76,78}$Kr

    CERN Multimedia

    2002-01-01

    In the run at ISOLDE performed last August we completed the study of the decay properties of the $ 0 ^{+} _{2} $ level in $ ^{76, 78, 80}$Kr by measuring the lifetime of the $ 0 ^{+} _{2} $ level in $^{76}$Kr. This was done by applying the $\\beta \\gamma\\gamma$ (t) fast timing method to the $\\beta^{+} $-decay of $^{76}$Rb. For the first time the method was applied to proton-rich nuclei at ISOLDE. This required some special modifications of the experimental set-up previously used for the case of $\\beta^{-}$-decay due to the presence of intense annihilation radiation. The experiment has been successful and enough data have been collected for the determination of the lifetime. The analysis is in progress. From a very preliminary estimate it would appear that the lifetime value falls in the range 20-60 ps. Combining this value with the previously measured ratio \\[\\frac{B(E0; 0^{+}_{2} \\rightarrow 0^{+}_{1})}{B(E2; 0^{+}_{2} \\rightarrow 2^{+}_{1})}\\] It is possible to extract an estimate of the monopole transition...

  6. Positron annihilation induced Auger electron spectroscopic studies of oxide surfaces

    Science.gov (United States)

    Nadesalingam, Manori

    2005-03-01

    Defects on oxide surfaces are well known to play a key role in catalysis. TiO2, MgO, SiO2 surfaces were investigated using Time-Of-Flight Positron induced Auger Electron Spectroscopy (TOF-PAES). Previous work in bulk materials has demonstrated that positrons are particularly sensitive to charged defects. In PAES energetic electron emission results from Auger transitions initiated by annihilation of core electrons with positrons trapped in an image-potential well at the surface. Annealed samples in O2 environment show a strong Auger peak of Oxygen. The implication of these results will be discussed

  7. Subepithelial corneal fibrosis partially due to epithelial-mesenchymal transition of ocular surface epithelium

    Science.gov (United States)

    Kawashima, Motoko; Higa, Kazunari; Satake, Yoshiyuki; Omoto, Masahiro; Tsubota, Kazuo; Shimmura, Shigeto; Shimazaki, Jun

    2010-01-01

    Purpose To determine whether epithelial-mesenchymal transition is involved in the development of corneal subepithelial fibrosis (pannus). Methods Frozen samples of pannus tissue removed from human corneas with a diagnosis of total limbal stem cell deficiency were characterized by immunostaining for both epithelial and mesenchymal markers. We selected transformation-related protein 63 (p63) and pancytokeratin as epithelial markers and vimentin and α-smooth muscle actin (α-SMA) as mesenchymal markers. Immunostaining for β-catenin and E-cadherin was performed to determine wingless-Int (Wnt)-pathway activation. RT–PCR analysis was also performed on epithelial tissue obtained from pannus samples after dispase digestion. Results Immunohistochemistry revealed strong nuclear expression of p63 and weak intercellular expression of E-cadherin in epithelial basal cells of pannus tissue. Furthermore, translocation of β-catenin from intercellular junctions to the nucleus and cytoplasm was also observed. Double-positive cells for both p63 and α-SMA were observed in the subepithelial stroma of pannus tissue, which was supported by RT–PCR and cytospin analysis. Conclusions Epithelial-mesenchymal transition may be partially involved in the development of subepithelial corneal fibrosis due to total limbal stem cell deficiency. PMID:21179238

  8. Lattice Boltzmann model for thermal free surface flows with liquid-solid phase transition

    International Nuclear Information System (INIS)

    Attar, Elham; Koerner, Carolin

    2011-01-01

    Purpose: The main objective of this work is to develop an algorithm to use the Lattice Boltzmann method for solving free surface thermal flow problems with solid/liquid phase changes. Approach: A multi-distribution function model is applied to simulate hydrodynamic flow and the coupled thermal diffusion-convection problem. Findings: The free surface problem, i.e. the reconstruction of the missing distribution functions at the interface, can be solved by applying a physical transparent momentum and heat flux based methodology. The developed method is subsequently applied to some test cases in order to assess its computational potentials. Practical implications: Many industrial processes involve problems where non-isothermal motion and simultaneous solidification of fluids with free surface is important. Examples are all castings processes and especially foaming processes which are characterized by a huge and strongly changing surface. Value: A reconstruction algorithm to treat a thermal hydrodynamic problem with free surfaces is presented which is physically transparent and easy to implement.

  9. Turbulence kinetic energy budget during the afternoon transition - Part 1: Observed surface TKE budget and boundary layer description for 10 intensive observation period days

    Science.gov (United States)

    Nilsson, Erik; Lohou, Fabienne; Lothon, Marie; Pardyjak, Eric; Mahrt, Larry; Darbieu, Clara

    2016-07-01

    The decay of turbulence kinetic energy (TKE) and its budget in the afternoon period from midday until zero-buoyancy flux at the surface is studied in a two-part paper by means of measurements from the Boundary Layer Late Afternoon and Sunset Turbulence (BLLAST) field campaign for 10 intensive observation period days. Here, in Part 1, near-surface measurements from a small tower are used to estimate a TKE budget. The overall boundary layer characteristics and mesoscale situation at the site are also described based upon taller tower measurements, radiosoundings and remote sensing instrumentation. Analysis of the TKE budget during the afternoon transition reveals a variety of different surface layer dynamics in terms of TKE and TKE decay. This is largely attributed to variations in the 8 m wind speed, which is responsible for different amounts of near-surface shear production on different afternoons and variations within some of the afternoon periods. The partitioning of near-surface production into local dissipation and transport in neutral and unstably stratified conditions was investigated. Although variations exist both between and within afternoons, as a rule of thumb, our results suggest that about 50 % of the near-surface production of TKE is compensated for by local dissipation near the surface, leaving about 50 % available for transport. This result indicates that it is important to also consider TKE transport as a factor influencing the near-surface TKE decay rate, which in many earlier studies has mainly been linked with the production terms of TKE by buoyancy and wind shear. We also conclude that the TKE tendency is smaller than the other budget terms, indicating a quasi-stationary evolution of TKE in the afternoon transition. Even though the TKE tendency was observed to be small, a strong correlation to mean buoyancy production of -0.69 was found for the afternoon period. For comparison with previous results, the TKE budget terms are normalized with

  10. Turbulence kinetic energy budget during the afternoon transition – Part 1: Observed surface TKE budget and boundary layer description for 10 intensive observation period days

    Directory of Open Access Journals (Sweden)

    E. Nilsson

    2016-07-01

    Full Text Available The decay of turbulence kinetic energy (TKE and its budget in the afternoon period from midday until zero-buoyancy flux at the surface is studied in a two-part paper by means of measurements from the Boundary Layer Late Afternoon and Sunset Turbulence (BLLAST field campaign for 10 intensive observation period days. Here, in Part 1, near-surface measurements from a small tower are used to estimate a TKE budget. The overall boundary layer characteristics and mesoscale situation at the site are also described based upon taller tower measurements, radiosoundings and remote sensing instrumentation. Analysis of the TKE budget during the afternoon transition reveals a variety of different surface layer dynamics in terms of TKE and TKE decay. This is largely attributed to variations in the 8 m wind speed, which is responsible for different amounts of near-surface shear production on different afternoons and variations within some of the afternoon periods. The partitioning of near-surface production into local dissipation and transport in neutral and unstably stratified conditions was investigated. Although variations exist both between and within afternoons, as a rule of thumb, our results suggest that about 50 % of the near-surface production of TKE is compensated for by local dissipation near the surface, leaving about 50 % available for transport. This result indicates that it is important to also consider TKE transport as a factor influencing the near-surface TKE decay rate, which in many earlier studies has mainly been linked with the production terms of TKE by buoyancy and wind shear. We also conclude that the TKE tendency is smaller than the other budget terms, indicating a quasi-stationary evolution of TKE in the afternoon transition. Even though the TKE tendency was observed to be small, a strong correlation to mean buoyancy production of −0.69 was found for the afternoon period. For comparison with previous results, the TKE

  11. The transition radiation. 2. experimental study of the optical transition radiation

    International Nuclear Information System (INIS)

    Couillaud, Ch.; Haouat, G.; Seguin, S.; Striby, S.

    1999-01-01

    Optical-transition-radiation-based diagnostics have been widely used for many years on electron accelerators in order to measure beam energy and transverse and longitudinal emittances. These diagnostics are very attractive for high brightness electron beams used as drivers for radiation sources. Such diagnostics have been performed on the ELSA facility (18 MeV electron energy, 100 A peak current) using both a single interface and an OTR-Wartski interferometer. We present the accelerator, the experimental set-up and the method for analyzing the OTR angular distribution. Then, the experimental results are described and compared with those from the three gradient method. In addition, we present a beam energy measurement using OTR interferogram analysis. (author)

  12. THE HOMOGENEOUS STUDY OF TRANSITING SYSTEMS (HoSTS). I. THE PILOT STUDY OF WASP-13

    Energy Technology Data Exchange (ETDEWEB)

    Gomez Maqueo Chew, Yilen; Cargile, Phillip; Hebb, Leslie; Stassun, Keivan G. [Department of Physics and Astronomy, Vanderbilt University, Nashville, TN 37235 (United States); Faedi, Francesca; Pollacco, Don [Department of Physics, University of Warwick, Coventry CV4 7AL (United Kingdom); Doyle, Amanda P.; Smalley, Barry [Astrophysics Group, Keele University, Staffordshire ST5 5BG (United Kingdom); Ghezzi, Luan; Cunha, Katia; Smith, Verne V. [Observatorio Nacional, Rua Gal. Jose Cristino 77, Rio de Janeiro, RJ 20921-400 (Brazil); Sousa, Sergio; Santos, Nuno C. [Centro de Astrofisica, Universidade do Porto, Rua das Estrelas, 4150-762 Porto (Portugal); Barros, Susana C. C. [LAM (Laboratoire d' Astrophysique de Marseille) UMR 7326, Aix Marseille Universite, CNRS, F-13388 Marseille (France); Schuler, Simon C. [Stewart Observatory, University of Arizona, Tucson, AZ 85721 (United States); Collier Cameron, Andrew, E-mail: yilen.gomez@vanderbilt.edu [School of Physics and Astronomy, University of St Andrews, St Andrews, Fife KY16 9SS (United Kingdom)

    2013-05-01

    We present the fundamental stellar and planetary properties of the transiting planetary system WASP-13 within the framework of the Homogeneous Study of Transiting Systems (HoSTS). HoSTS aims to derive the fundamental stellar (T{sub eff}, [Fe/H], M{sub *}, R{sub *}) and planetary (M{sub pl}, R{sub pl}, T{sub eq}) physical properties of known transiting planets using a consistent methodology and homogeneous high-quality data set. Four spectral analysis techniques are independently applied to a Keck+HIRES spectrum of WASP-13 considering two distinct cases: unconstrained parameters and constrained log g from transit light curves. We check the derived stellar temperature against that from a different temperature diagnostic based on an INT+IDS H{alpha} spectrum. The four unconstrained analyses render results that are in good agreement, and provide an improvement of 50% in the precision of T{sub eff}, and of 85% in [Fe/H] with respect to the WASP-13 discovery paper. The planetary parameters are then derived via the Monte Carlo Markov Chain modeling of the radial velocity and light curves, in iteration with stellar evolutionary models to derive realistic uncertainties. WASP-13 (1.187 {+-} 0.065 M{sub Sun }; 1.574 {+-} 0.048 R{sub Sun }) hosts a Saturn-mass, transiting planet (0.500 {+-} 0.037 M{sub Jup}; 1.407 {+-} 0.052 R{sub Jup}), and is at the end of its main-sequence lifetime (4-5.5 Gyr). Our analysis of WASP-13 showcases that both a detailed stellar characterization and transit modeling are necessary to well determine the fundamental properties of planetary systems, which are paramount in identifying and determining empirical relationships between transiting planets and their hosts.

  13. Surface technology is essential for transition to a hydrogen-based energy system

    DEFF Research Database (Denmark)

    Nielsen, L. P.; Leisner, P.; Møller, P.

    2018-01-01

    The importance of advanced surface technology for the success of the ongoing energy turnaround in Germany has recently been discussed in this journal. The purpose of the present article is to add views based on the conditions valid for the Nordic region.......The importance of advanced surface technology for the success of the ongoing energy turnaround in Germany has recently been discussed in this journal. The purpose of the present article is to add views based on the conditions valid for the Nordic region....

  14. TOPEM DSC study of glass transition region of polyurethane cationomers

    International Nuclear Information System (INIS)

    Pielichowska, Kinga; Król, Piotr; Król, Bożena; Pagacz, Joanna

    2012-01-01

    Highlights: ► TOPEM DSC method was employed to investigate the glass transition (T g ) region of fluorinated polyurethane cationomers. ► Introduction of fluorine compounds significantly changes thermal behaviour of cationomers in the T g region of hard segments. ► Introduction of fluorine compound leads to changes of the slope in activation diagram of glass transition. - Abstract: In this paper TOPEM DSC method was employed to investigate the glass transition region of fluorinated polyurethane cationomers. Fluorinated polyurethane cationomers have been synthesised in the reaction of MDI with poly(ethylene glycol) (600) and butane1,4-diol or N-methyl- or N-butyldiethanolamine and 2,2,3,3-tetrafluoro-1,4-butanediol. Better rigidity was found for generally amorphous cationomer coats. It was found that introduction of fluorine compound changes thermal behaviour of polyurethane cationomers as well as leads to changes in the slope in activation diagram profiles of glass transition in comparison to polyuretahene cationomer without fluorine compound. Application of TOPEM DSC allows to obtain more information concerning frequency dependence of glass transition region and thermodynamical stability of polyurethane structures.

  15. Second-harmonic and sum-frequency generation for surface studies

    International Nuclear Information System (INIS)

    Hunt, J.H.; Guyot-Sionnest, P.; Shen, Y.R.

    1987-07-01

    Second harmonic generation (SHG) has now been well established as a versatile surface-sensitive probe. It has been used to study electrochemical processes at electrode surfaces, molecular adsorption and desorption at metal and semiconductor surfaces, orientational phase transition of molecular monolayers on water, surface reconstruction and epitaxial growth, and so on. More recently, it has been employed as a tool to monitor monolayer polymerization and other surface reactions, to probe polar order of molecules at interfaces, and to measure molecular nonlinearity. While most surface techniques are restricted to the solid/vacuum environment, SHG is applicable to nearly all interfaces as long as the interfaces are accessible by light. In addition, SHG has the advantages of being capable of in-situ measurements with high temporal, spatial, and spectral resolutions

  16. Q-values of mirror transitions for fundamental interaction studies

    CERN Multimedia

    The $Ft$ values for the $0^{+} \\rightarrow 0^{+}$ superallowed $\\beta$-transitions currently provide the best test of the CVC hypothesis, and the most precise determination of the V$_{ud}$ element of the CKM matrix. Recent experimental advances, including direct mass measurements with Penning traps, have led to the precision in the corrected $Ft$ values being dominated by the theoretical corrections rather than experiment. An alternative route are the isospin $T$=1/2 mirror transitions where experimental uncertainties dominate over the theoretical inputs and which can provide an independent test of CVC, and ultimately an independent evaluation of V$_{ud}$. We propose mass measurements of 4 different mirror transitions aiming for a precision of better than 100eV on the ${Q}$-values.

  17. First principles study of hydroxyapatite surface

    Science.gov (United States)

    Slepko, Alexander; Demkov, Alexander A.

    2013-07-01

    The biomineral hydroxyapatite (HA) [Ca10(PO4)6(OH)2] is the main mineral constituent of mammal bone. We report a theoretical investigation of the HA surface. We identify the low energy surface orientations and stoichiometry under a variety of chemical environments. The surface most stable in the physiologically relevant OH-rich environment is the OH-terminated (1000) surface. We calculate the work function of HA and relate it to the surface composition. For the lowest energy OH-terminated surface we find the work function of 5.1 eV, in close agreement with the experimentally reported range of 4.7 eV-5.1 eV [V. S. Bystrov, E. Paramonova, Y. Dekhtyar, A. Katashev, A. Karlov, N. Polyaka, A. V. Bystrova, A. Patmalnieks, and A. L. Kholkin, J. Phys.: Condens. Matter 23, 065302 (2011), 10.1088/0953-8984/23/6/065302].

  18. The transition radiation. 2. experimental study of the optical transition radiation; Le rayonnement de transition: 2. etude experimentale du rayonnement de transition optique

    Energy Technology Data Exchange (ETDEWEB)

    Couillaud, Ch.; Haouat, G.; Seguin, S.; Striby, S

    1999-07-01

    Optical-transition-radiation-based diagnostics have been widely used for many years on electron accelerators in order to measure beam energy and transverse and longitudinal emittances. These diagnostics are very attractive for high brightness electron beams used as drivers for radiation sources. Such diagnostics have been performed on the ELSA facility (18 MeV electron energy, 100 A peak current) using both a single interface and an OTR-Wartski interferometer. We present the accelerator, the experimental set-up and the method for analyzing the OTR angular distribution. Then, the experimental results are described and compared with those from the three gradient method. In addition, we present a beam energy measurement using OTR interferogram analysis. (author)

  19. Calorimetric study of water's two glass transitions in the presence of LiCl

    Science.gov (United States)

    Ruiz, Guadalupe N.; Amann-Winkel, Katrin; Bove, Livia E.; Corti, Horacio R.

    2018-01-01

    A DSC study of dilute glassy LiCl aqueous solutions in the water-dominated regime provides direct evidence of a glass-to-liquid transition in expanded high density amorphous (eHDA)-type solutions. Similarly, low density amorphous ice (LDA) exhibits a glass transition prior to crystallization to ice Ic. Both glass transition temperatures are independent of the salt concentration, whereas the magnitude of the heat capacity increase differs. By contrast to pure water, the glass transition endpoint for LDA can be accessed in LiCl aqueous solutions above 0.01 mole fraction. Furthermore, we also reveal the endpoint for HDA's glass transition, solving the question on the width of both glass transitions. This suggests that both equilibrated HDL and LDL can be accessed in dilute LiCl solutions, supporting the liquid–liquid transition scenario to understand water's anomalies. PMID:29442107

  20. Photoelectron studies of machined brass surfaces

    Science.gov (United States)

    Potts, A. W.; Merrison, J. P.; Tournas, A. D.; Yacoot, A.

    UV photoelectron spectroscopy has been used to determine the surface composition of machined brass. The results show a considerable change between the photoelectron surface composition and the bulk composition of the same sample determined by energy-dispersive X-ray fluorescence. On the surface the lead composition is increased by ˜900 G. This is consistent with the important part that lead is believed to play in improving the machinability of this alloy.

  1. Different growth mechanisms of Ge by Stranski-Krastanow on Si (111) and (001) surfaces: An STM study

    Energy Technology Data Exchange (ETDEWEB)

    Teys, S.A., E-mail: teys@isp.nsc.ru

    2017-01-15

    Highlights: • Different atomic mechanisms of transition from two-dimensional to three-dimensional-layer growth on Sransky-Krastanov observed. • The transition from 2D–3D Ge growth on Si (111) and (001) is very different. • Various changes in morphology, surface structures and sequence Ge redistribution during the growth shown. • The sequence of appearance of different incorporation places of Ge atoms was shown. - Abstract: Structural and morphological features of the wetting layer formation and the transition to the three-dimensional Ge growth on (111) and (100) Si surfaces under quasi-equilibrium growth conditions were studied by means of scanning tunneling microscopy. The mechanism of the transition from the wetting layer to the three-dimensional Ge growth on Si was demonstrated. The principal differences and general trends of the atomic processes involved in the wetting layers formation on substrates with different orientations were demonstrated. The Ge growth is accompanied by the Ge atom redistribution and partial strain relaxation due to the formation of new surfaces, vacancies and surface structures of a decreased density. The analysis of three-dimensional Ge islands sites nucleation of after the wetting layer formation was carried out on the (111) surface. The transition to the three-dimensional growth at the Si(100) surface begins with single {105} facets nucleation on the rough Ge(100) surface.

  2. Different growth mechanisms of Ge by Stranski-Krastanow on Si (111) and (001) surfaces: An STM study

    International Nuclear Information System (INIS)

    Teys, S.A.

    2017-01-01

    Highlights: • Different atomic mechanisms of transition from two-dimensional to three-dimensional-layer growth on Sransky-Krastanov observed. • The transition from 2D–3D Ge growth on Si (111) and (001) is very different. • Various changes in morphology, surface structures and sequence Ge redistribution during the growth shown. • The sequence of appearance of different incorporation places of Ge atoms was shown. - Abstract: Structural and morphological features of the wetting layer formation and the transition to the three-dimensional Ge growth on (111) and (100) Si surfaces under quasi-equilibrium growth conditions were studied by means of scanning tunneling microscopy. The mechanism of the transition from the wetting layer to the three-dimensional Ge growth on Si was demonstrated. The principal differences and general trends of the atomic processes involved in the wetting layers formation on substrates with different orientations were demonstrated. The Ge growth is accompanied by the Ge atom redistribution and partial strain relaxation due to the formation of new surfaces, vacancies and surface structures of a decreased density. The analysis of three-dimensional Ge islands sites nucleation of after the wetting layer formation was carried out on the (111) surface. The transition to the three-dimensional growth at the Si(100) surface begins with single {105} facets nucleation on the rough Ge(100) surface.

  3. Studies of the phase transitions in UAs with neutron scattering

    International Nuclear Information System (INIS)

    Sinha, S.K.; Lander, G.H.; Shapiro, S.M.; Vogt, O.

    1980-01-01

    Uranium arsenide is known to order with the type-I antiferromagnetic (AF) structure at approx. 126 K, and exhibit a first-order transition to the type-IA AF structure at T/sub N//2. We have now reexamined these transitions with a single crystal. Above T/sub N/ UAs exhibits critical scattering suggesting a tendency to order with an incommensurate wavevector, but then suddenly orders with the AF-I structure. The analysis of the data shows the need to consider anisotropic exchange interactions of cubic symmetry between U moments

  4. Nonlinear acoustic effects in the propagation of surface acoustic waves in SrTiO3 near the structural phase transition

    International Nuclear Information System (INIS)

    Balashova, E.V.; Lemanov, V.V.; Sherman, A.B.

    1986-01-01

    Generation process of a surface acoustic wave with summarized frequency in collinear propagation of two surface acoustic waves in SrTiO 3 crystal near crystal-phase transition O n → D 4h (T c ≅ 105 K) is investigated. Anomalous increase of a nonlinear parameter Γ ∼ (T-T c ) -1 attributed to a fluctuation mechanism is observed. It is shown that the presence of a surface layer in SrTiO 3 having a higher, than in crystal volume, temperature of phase transition results in summarized frequency signal oscillation

  5. Pressure induced phase transitions in transition metal nitrides: Ab initio study

    Energy Technology Data Exchange (ETDEWEB)

    Srivastava, Anurag; Chauhan, Mamta [Advanced Material Research Lab, Indian Institute of Information Technology and Management, Gwalior 474010 (India); Singh, R.K. [Department of Physics, ITM University, Gurgaon 122017 (India)

    2011-12-15

    We have analyzed the stability of transition metal nitrides (TMNs) XN (X = Ti, Zr, Hf, V, Nb, Ta) in their original rocksalt (B1) and hypothetical CsCl (B2) type phases under high compression. The ground state total energy calculation approach of the system has been used through the generalized gradient approximation (GGA) with the Perdew-Burke-Ernzerhof (PBE) type parameterization as exchange correlation functional. In the whole series of nitrides taken into consideration, tantalum nitride is found to be the most stable. We have observed that under compression the original B1-type phase of these nitrides transforms to a B2-type phase. We have also discussed the computation of ground state properties, like the lattice constant (a), bulk modulus (B{sub 0}) and first order pressure derivative of the bulk modulus (B'{sub 0}) of the TMNs and their host elements. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  6. Theoretical studies of the electronic properties of transition metals and transition metal compounds

    International Nuclear Information System (INIS)

    Alward, J.F. Jr.

    1976-01-01

    An efficient new technique is presented for rapidly determining a near-optimum pseudopotential for use in electronic energy band structure calculations. The electronic energy band structures of TiC and ZrC have been obtained and the corresponding reflectivity spectra are in fair agreement with the data. The TiC wavefunctions have been used to determine the electronic charge distribution in the (100) plane, and the results indicate that there is a net transfer of electronic charge from the titanium atom to the carbon atom. By also calculating the energy band structures of TiN and ZrN, and comparing with the carbide results, it was shown that the rigid-band model is not valid. Using the reflectivity data of Weaver, Lynch, and Olson, the electronic energy band structures of tantalum and vanadium were calculated. The vanadium density of valence states is in good agreement with Eastman's photoemission data. Furthermore, the Ta and V reflectivity spectra have been shown to be in good agreement with the data. Finally, the Fermi surfaces calculated for both Ta and V are in very good agreement with Fermi surface data

  7. Electrochemical Characteristics of Layered Transition Metal Oxide Cathode Materials for Lithium Ion Batteries: Surface, Bulk Behavior, and Thermal Properties.

    Science.gov (United States)

    Tian, Chixia; Lin, Feng; Doeff, Marca M

    2018-01-16

    Layered lithium transition metal oxides, in particular, NMCs (LiNi x Co y Mn z O 2 ) represent a family of prominent lithium ion battery cathode materials with the potential to increase energy densities and lifetime, reduce costs, and improve safety for electric vehicles and grid storage. Our work has focused on various strategies to improve performance and to understand the limitations to these strategies, which include altering compositions, utilizing cation substitutions, and charging to higher than usual potentials in cells. Understanding the effects of these strategies on surface and bulk behavior and correlating structure-performance relationships advance our understanding of NMC materials. This also provides information relevant to the efficacy of various approaches toward ensuring reliable operation of these materials in batteries intended for demanding traction and grid storage applications. In this Account, we start by comparing NMCs to the isostructural LiCoO 2 cathode, which is widely used in consumer batteries. Effects of changing the metal content (Ni, Mn, Co) upon structure and performance of NMCs are briefly discussed. Our early work on the effects of partial substitution of Al, Fe, and Ti for Co on the electrochemical and bulk structural properties is then covered. The original aim of this work was to reduce the Co content (and thus the raw materials cost) and to determine the effect of the substitutions on the electrochemical and bulk structural properties. More recently, we have turned to the application of synchrotron and advanced microscopy techniques to understand both bulk and surface characteristics of the NMCs. Via nanoscale-to-macroscale spectroscopy and atomically resolved imaging techniques, we were able to determine that the surfaces of NMC undergo heterogeneous reconstruction from a layered structure to rock salt under a variety of conditions. Interestingly, formation of rock salt also occurs under abuse conditions. The surface

  8. Toxicity of Transition Metal Oxide Nanoparticles: Recent Insights from in vitro Studies

    Directory of Open Access Journals (Sweden)

    Robert S. Aronstam

    2010-10-01

    Full Text Available Nanotechnology has evolved to play a prominent role in our economy. Increased use of nanomaterials poses potential human health risk. It is therefore critical to understand the nature and origin of the toxicity imposed by nanomaterials (nanotoxicity. In this article we review the toxicity of the transition metal oxides in the 4th period that are widely used in industry and biotechnology. Nanoparticle toxicity is compellingly related to oxidative stress and alteration of calcium homeostasis, gene expression, pro-inflammatory responses, and cellular signaling events. The precise physicochemical properties that dictate the toxicity of nanoparticles have yet to be defined, but may include element-specific surface catalytic activity (e.g., metallic, semiconducting properties, nanoparticle uptake, or nanoparticle dissolution. These in vitro studies substantially advance our understanding in mechanisms of toxicity, which may lead to safer design of nanomaterials.

  9. Potential-induced structural transitions of DL-homocysteine monolayers on Au(111) electrode surfaces

    DEFF Research Database (Denmark)

    Zhang, Jingdong; Demetriou, Anna; Welinder, Anne Christina

    2005-01-01

    Monolayers of homocysteine on Au(111)-surfaces have been investigated by voltammetry, in situ scanning tunnelling microscopy (STM) and subtractively normalised interfacial Fourier transform spectroscopy (SNIFTIRS). A pair of sharp voltammetric peaks build up in the potential range 0 to -0.1 V (vs...... potentials at pH 7.7. The molecules pack into highly ordered domains around the peak potential. High-resolution in situ STM reveals a (root 3 x 5) R30 degrees lattice with three homocysteine molecules in each unit cell. The adlayer changes into disordered structures on either side of the peak potential...

  10. Communication: Proper treatment of classically forbidden electronic transitions significantly improves detailed balance in surface hopping

    Energy Technology Data Exchange (ETDEWEB)

    Sifain, Andrew E. [Department of Physics and Astronomy, University of Southern California, Los Angeles, California 90089-0485 (United States); Wang, Linjun [Department of Chemistry, Zhejiang University, Hangzhou 310027 (China); Prezhdo, Oleg V. [Department of Physics and Astronomy, University of Southern California, Los Angeles, California 90089-0485 (United States); Department of Chemistry, University of Southern California, Los Angeles, California 90089-1062 (United States)

    2016-06-07

    Surface hopping is the most popular method for nonadiabatic molecular dynamics. Many have reported that it does not rigorously attain detailed balance at thermal equilibrium, but does so approximately. We show that convergence to the Boltzmann populations is significantly improved when the nuclear velocity is reversed after a classically forbidden hop. The proposed prescription significantly reduces the total number of classically forbidden hops encountered along a trajectory, suggesting that some randomization in nuclear velocity is needed when classically forbidden hops constitute a large fraction of attempted hops. Our results are verified computationally using two- and three-level quantum subsystems, coupled to a classical bath undergoing Langevin dynamics.

  11. Nanostructured surfaces investigated by quantitative morphological studies

    International Nuclear Information System (INIS)

    Perani, Martina; Carapezzi, Stefania; Mutta, Geeta Rani; Cavalcoli, Daniela

    2016-01-01

    The morphology of different surfaces has been investigated by atomic force microscopy and quantitatively analyzed in this paper. Two different tools have been employed to this scope: the analysis of the height–height correlation function and the determination of the mean grain size, which have been combined to obtain a complete characterization of the surfaces. Different materials have been analyzed: SiO_xN_y, InGaN/GaN quantum wells and Si nanowires, grown with different techniques. Notwithstanding the presence of grain-like structures on all the samples analyzed, they present very diverse surface design, underlying that this procedure can be of general use. Our results show that the quantitative analysis of nanostructured surfaces allows us to obtain interesting information, such as grain clustering, from the comparison of the lateral correlation length and the grain size. (paper)

  12. Solid-gate control of insulator to 2D metal transition at SrTiO3 surface

    Science.gov (United States)

    Schulman, Alejandro; Stoliar, Pablo; Kitoh, Ai; Rozenberg, Marcelo; Inoue, Isao H.

    As miniaturization of the semiconductor transistor approaches its limit, semiconductor industries are facing a major challenge to extend information processing beyond what can be attainable by conventional Si-based transistors. Innovative combinations of new materials and new processing platforms are desired. Recent discovery of the 2D electron gas (2DEG) at the surface of SrTiO3 (STO) and its electrostatic control, have carried it to the top of promising materials to be utilized in innovative devices. We report an electrostatic control of the carrier density of the 2DEG formed at the channel of bilayer-gated STO field-effect devices. By applying a gate electric field at room temperature, its highly insulating channel exhibits a transition to metallic one. This transition is accompanied by non-monotonic voltage-gain transfer characteristic with both negative and positive slope regions and unexpected enhancement of the sheet carrier density. We will introduce a numerical model to rationalize the observed features in terms of the established physics of field-effect transistors and the physics of percolation. Furthermore, we have found a clear signature of a Kondo effect that arises due to the interaction between the dilute 2DEG and localized Ti 3d orbitals originated by oxygen vacancies near the channel. On leave from CIC nanoGUNE, Spain.

  13. Investigation of the boundary layer during the transition from volume to surface dominated H- production at the BATMAN test facility

    Science.gov (United States)

    Wimmer, C.; Schiesko, L.; Fantz, U.

    2016-02-01

    BATMAN (Bavarian Test Machine for Negative ions) is a test facility equipped with a 1/8 scale H- source for the ITER heating neutral beam injection. Several diagnostics in the boundary layer close to the plasma grid (first grid of the accelerator system) followed the transition from volume to surface dominated H- production starting with a Cs-free, cleaned source and subsequent evaporation of caesium, while the source has been operated at ITER relevant pressure of 0.3 Pa: Langmuir probes are used to determine the plasma potential, optical emission spectroscopy is used to follow the caesiation process, and cavity ring-down spectroscopy allows for the measurement of the H- density. The influence on the plasma during the transition from an electron-ion plasma towards an ion-ion plasma, in which negative hydrogen ions become the dominant negatively charged particle species, is seen in a strong increase of the H- density combined with a reduction of the plasma potential. A clear correlation of the extracted current densities (jH-, je) exists with the Cs emission.

  14. Investigation of the boundary layer during the transition from volume to surface dominated H⁻ production at the BATMAN test facility.

    Science.gov (United States)

    Wimmer, C; Schiesko, L; Fantz, U

    2016-02-01

    BATMAN (Bavarian Test Machine for Negative ions) is a test facility equipped with a 18 scale H(-) source for the ITER heating neutral beam injection. Several diagnostics in the boundary layer close to the plasma grid (first grid of the accelerator system) followed the transition from volume to surface dominated H(-) production starting with a Cs-free, cleaned source and subsequent evaporation of caesium, while the source has been operated at ITER relevant pressure of 0.3 Pa: Langmuir probes are used to determine the plasma potential, optical emission spectroscopy is used to follow the caesiation process, and cavity ring-down spectroscopy allows for the measurement of the H(-) density. The influence on the plasma during the transition from an electron-ion plasma towards an ion-ion plasma, in which negative hydrogen ions become the dominant negatively charged particle species, is seen in a strong increase of the H(-) density combined with a reduction of the plasma potential. A clear correlation of the extracted current densities (j(H(-)), j(e)) exists with the Cs emission.

  15. Improved modeling of two-dimensional transitions in dense phases on crystalline surfaces. Krypton-graphite system.

    Science.gov (United States)

    Ustinov, E A

    2015-02-21

    This paper presents a refined technique to describe two-dimensional phase transitions in dense fluids adsorbed on a crystalline surface. Prediction of parameters of 2D liquid-solid equilibrium is known to be an extremely challenging problem, which is mainly due to a small difference in thermodynamic functions of coexisting phases and lack of accuracy of numerical experiments in case of their high density. This is a serious limitation of various attempts to circumvent this problem. To improve this situation, a new methodology based on the kinetic Monte Carlo method was applied. The methodology involves analysis of equilibrium gas-liquid and gas-solid systems undergoing an external potential, which allows gradual shifting parameters of the phase coexistence. The interrelation of the chemical potential and tangential pressure for each system is then treated with the Gibbs-Duhem equation to obtain the point of intersection corresponding to the liquid/solid-solid equilibrium coexistence. The methodology is demonstrated on the krypton-graphite system below and above the 2D critical temperature. Using experimental data on the liquid-solid and the commensurate-incommensurate transitions in the krypton monolayer derived from adsorption isotherms, the Kr-graphite Lennard-Jones parameters have been corrected resulting in a higher periodic potential modulation.

  16. The dynamics of ozone generation and mode transition in air surface micro-discharge plasma at atmospheric pressure

    International Nuclear Information System (INIS)

    Shimizu, Tetsuji; Zimmermann, Julia L; Morfill, Gregor E; Sakiyama, Yukinori; Graves, David B

    2012-01-01

    We present the transient, dynamic behavior of ozone production in surface micro-discharge (SMD) plasma in ambient air. Ultraviolet absorption spectroscopy at 254 nm was used to measure the time development of ozone density in a confined volume. We observed that ozone density increases monotonically over 1000 ppm for at least a few minutes when the input power is lower than ∼0.1 W/cm 2 . Interestingly, when input power is higher than ∼0.1 W/cm 2 , ozone density starts to decrease in a few tens of seconds at a constant power density, showing a peak ozone density. A model calculation suggests that the ozone depletion at higher power density is caused by quenching reactions with nitrogen oxides that are in turn created by vibrationally excited nitrogen molecules reacting with O atoms. The observed mode transition is significantly different from classical ozone reactors in that the transition takes place over time at a constant power. In addition, we observed a positive correlation between time-averaged ozone density and the inactivation rate of Escherichia coli on adjacent agar plates, suggesting that ozone plays a key role in inactivating bacteria under the conditions considered here. (paper)

  17. An investigation of the reflection of low energy electrons from the surfaces of layered transition metal dichalcogenides

    International Nuclear Information System (INIS)

    Smith, A.E.; Mohamed, M.H.; Wohlenberg, T.; Johnson, E.; Chadderton, L.T.; Moeller, P.J.

    1980-01-01

    Experimental measurements, using the total current spectroscopy (TCS) technique, on the energy dependence of the reflection of low energy electrons from clean surfaces of layered transition metal dichalcogenides are reported for the molybdenum semiconductor compounds 2H-MoS 2 and 2H-MoSe 2 . A simple model calculation involving both elastic and inelastic scattering is presented and correspondence established with the experimental spectra. In this picture information on the electronic band structure of the materials can then be extracted from the single particle component of the inelastic scattering. The model is extended to show that a feature in the 2H-MoS 2 experimental spectrum may be attributed to the excitation of an intermediate plasmon. (Auth.)

  18. Numerical study of compressible magnetoconvection with an open transitional boundary

    International Nuclear Information System (INIS)

    Hanami, H.; Tajima, T.

    1990-08-01

    We study by computer simulation nonlinear evolution of magnetoconvection in a system with a dynamical open boundary between the convection region and corona of the sun. We study a model in which the fluid is subject to the vertical gravitation, magnetohydrodynamics (MHD), and high stratification, through an MHD code with the MacCormack-Donner cell hybrid scheme in order to well represent convective phenomena. Initially the vertical fluid flux penetrates from the convectively unstable zone at the bottom into the upper diffuse atmosphere. As the instability develops, the magnetic fields are twisted by the convection motion and the folding magnetic fields is observed. When the magnetic pressure is comparable to the thermal pressure in the upper layer of convective zone, strong flux expulsion from the convective cell interior toward the cell boundary appears. Under appropriate conditions our simulation exhibits no shock formation incurred by the fluid convected to the photosphere, in contrast to earlier works with box boundaries. The magnetic field patterns observed are those of concentrated magnetic flux tubes, accumulation of dynamo flux near the bottom boundary, pinched flux near the downdraft region, and the surface movement of magnetic flux toward the downdraft region. Many of these computationally observed features are reminiscent of solar observations of the fluid and magnetic structures of their motions

  19. Studies of the Superconducting Transition in the Mo/Au-Bilayer Thin Films

    Science.gov (United States)

    Sadleir, John; Smith, Stephen; Iyomoto, naoko; Bandler, Simon; Chervenak, Jay; Brown, Ari; Brekowsky, Regis; Kilbourne, Caroline; Robinson, Ian

    2007-01-01

    At NASA Goddard, microcalorimeter arrays using superconducting transition edge sensor thermometers (TESs) are under development for high energy resolution X-ray astrophysics applications. We report on our studies of the superconducting transition in our Mo/Au-bilayer TES films including: low current measurements of the superconducting bilayer's resistance transition versus temperature on pixels with different normal metal absorber attachment designs and measured temperature scaling of the critical current and critical magnetic field.

  20. Surface studies of liquid metals and alloys

    International Nuclear Information System (INIS)

    Bastasz, Robert

    2003-01-01

    Liquid metals and alloys have been proposed for use in nuclear fusion reactors to serve as replaceable plasma-facing surfaces that remove particles and heat from reacting plasmas. Several materials are being considered for this purpose including lithium, gallium, and tin as well as some of the alloys made from these elements. In order to better understand the properties of liquid surfaces, the technique of low-energy ion scattering was used to examine the surface composition of several of these materials in vacuum as a function of temperature. Oxygen is found to rapidly segregate to the surface of several metallic liquids. The segregation process can be interpreted using a simple thermodynamic model based on Gibbs theory. In the case of an alloy of Sn and Li, Li also segregates to the liquid surface. This provides a means to produce a surface enriched in Li, which is more plasma compatible than Sn, without the need to handle large quantities of liquid Li. (author)

  1. Home Away from Home?: A Case Study of Student Transitions to an International Branch Campus

    Science.gov (United States)

    Cicchetti, Kaitlin Oyler

    2017-01-01

    This study explored the transition experience of home-campus students attending an international branch campus. The studied was informed by a diverse range of literature, including the internationalization of higher education and student affairs, development of international branch campuses, students in transition, the development of student…

  2. Value of radionuclide oesophageal transit in studies of functional dysphagia

    International Nuclear Information System (INIS)

    Llamas-Elvira, J.M.; Martinez-Parades, M.; Velasco-Lajo, T.

    1986-01-01

    Radionuclide oesophageal transit time was evaluated in 70 individuals, divided into three groups: normal individuals, patients with non-organic dysphagia and patients with primary oesophageal motility disorders treated with per-endoscopic forced pneumatic dilatation. In all of them the oesophageal transit time of a bolus of water with 18.5 MBq (500 μCi) of 99 Tcsup(m) sulphur colloid was assessed, as was the percentage of residual activity of the bolus in the oesophagus. There was a significant difference in these parameters between the control group and the group with non-organic dysphagia, the diagnostic capacity of this test being 93% sensitivity, 100% specificity, 100% positive predictive value and 90% negative predictive value, which suggests its inclusion in diagnostic protocols of dysphagias. In patients with primary oesophageal motility disorders, a significant decrease in values of residual activity has been observed after treatment with per-endoscopic forced pneumatic dilation. (author)

  3. X-ray Absorption Study of Graphene Oxide and Transition Metal Oxide Nanocomposites.

    Science.gov (United States)

    Gandhiraman, Ram P; Nordlund, Dennis; Javier, Cristina; Koehne, Jessica E; Chen, Bin; Meyyappan, M

    2014-08-14

    The surface properties of the electrode materials play a crucial role in determining the performance and efficiency of energy storage devices. Graphene oxide and nanostructures of 3d transition metal oxides were synthesized for construction of electrodes in supercapacitors, and the electronic structure and oxidation states were probed using near-edge X-ray absorption fine structure. Understanding the chemistry of graphene oxide would provide valuable insight into its reactivity and properties as the graphene oxide transformation to reduced-graphene oxide is a key step in the synthesis of the electrode materials. Polarized behavior of the synchrotron X-rays and the angular dependency of the near-edge X-ray absorption fine structures (NEXAFS) have been utilized to study the orientation of the σ and π bonds of the graphene oxide and graphene oxide-metal oxide nanocomposites. The core-level transitions of individual metal oxides and that of the graphene oxide nanocomposite showed that the interaction of graphene oxide with the metal oxide nanostructures has not altered the electronic structure of either of them. As the restoration of the π network is important for good electrical conductivity, the C K edge NEXAFS spectra of reduced graphene oxide nanocomposites confirms the same through increased intensity of the sp 2 -derived unoccupied states π* band. A pronounced angular dependency of the reduced sample and the formation of excitonic peaks confirmed the formation of extended conjugated network.

  4. Studies of melting, crystallization, and commensurate-incommensurate transitions in two dimensions: Third year progress report

    International Nuclear Information System (INIS)

    Mockler, R.C.; O'Sullivan, W.J.

    1988-09-01

    The free expansion melting of a 2D suspension of micron-size spheres contained between parallel silica plates has been analyzed in some detail. The translational and orientational correlation functions conform with KTHNY theory prediction of a two-step melting process. The visual observations and study of the defect structures and evolution strongly suggest the process is first order with two-phase coexistence taking the place of the intermediate (hexatic) phase. On the other hand, melting of a 2.88 μm monolayer on water is in accord with KTHNY including the observation of dislocation-pair unbinding at the first transition. However, there is no evidence of the dissociation of dislocation into free disclinations at the second transition (the defect structure is much too complex here). Dynamic light scattering experiments on a 2D crystal on the surface of water yield viscous damping factors, force constants and the Lame coefficients. 2D computer simulation, in collaboration with Noel Clark's group, reveal cooperative motion along chains of particles (''snakes''). They appear to be the principal cause of diffusion near the melting point and important in the melting process. 16 refs

  5. Transitional circuitry for studying the properties of DNA

    Science.gov (United States)

    Trubochkina, N.

    2018-01-01

    The article is devoted to a new view of the structure of DNA as an intellectual scheme possessing the properties of logic and memory. The theory of transient circuitry, developed by the author for optimal computer circuits, revealed an amazing structural similarity between mathematical models of transition silicon elements and logic and memory circuits of solid state transient circuitry and atomic models of parts of DNA.

  6. Cobalt surface modification during γ-Fe{sub 2}O{sub 3} nanoparticle synthesis by chemical-induced transition

    Energy Technology Data Exchange (ETDEWEB)

    Li, Junming [School of Physical Science and Technology, Southwest University, Chongqing 400715 (China); Li, Jian, E-mail: aizhong@swu.edu.cn [School of Physical Science and Technology, Southwest University, Chongqing 400715 (China); Chen, Longlong; Lin, Yueqiang; Liu, Xiaodong; Gong, Xiaomin [School of Physical Science and Technology, Southwest University, Chongqing 400715 (China); Li, Decai [School of Mechanical and Control Engineering, Beijing Jiaotong University, Beijing 100044 (China)

    2015-02-01

    In the chemical-induced transition of FeCl{sub 2} solution, the FeOOH/Mg(OH){sub 2} precursor was transformed into spinel structured γ-Fe{sub 2}O{sub 3} crystallites, coated with a FeCl{sub 3}·6H{sub 2}O layer. CoCl{sub 2} surface modified γ-Fe{sub 2}O{sub 3} nanoparticles were prepared by adding Co(NO{sub 3}){sub 2} during the synthesis. CoFe{sub 2}O{sub 4} modified γ-Fe{sub 2}O{sub 3} nanoparticles were prepared by adding NaOH during the surface modification with Co(NO{sub 3}){sub 2}. The CoFe{sub 2}O{sub 4} layer grew epitaxially on the γ-Fe{sub 2}O{sub 3} crystallite to form a composite crystallite, which was coated by CoCl{sub 2}·6H{sub 2}O. The composite could not be distinguished using X-ray diffraction or transmission electron microscopy, since CoFe{sub 2}O{sub 4} and γ-Fe{sub 2}O{sub 3} possess similar spinel structures and lattice constants. X-ray photoelectron spectroscopy was used to distinguish them. The saturation magnetization and coercivity of the spinel structured γ-Fe{sub 2}O{sub 3}-based nanoparticles were related to the grain size. - Highlights: • γ-Fe{sub 2}O{sub 3} nanoparticles were synthesized by chemical induced transition. • CoCl{sub 2} modified nanoparticles were prepared by additional Co(NO{sub 3}){sub 2} during synthesization. • CoFe{sub 2}O{sub 4} modified nanoparticles were prepared by additional Co(NO{sub 3}){sub 2} and NaOH. • The magnetism of the nanoparticles is related to the grain size.

  7. Cobalt surface modification during γ-Fe2O3 nanoparticle synthesis by chemical-induced transition

    International Nuclear Information System (INIS)

    Li, Junming; Li, Jian; Chen, Longlong; Lin, Yueqiang; Liu, Xiaodong; Gong, Xiaomin; Li, Decai

    2015-01-01

    In the chemical-induced transition of FeCl 2 solution, the FeOOH/Mg(OH) 2 precursor was transformed into spinel structured γ-Fe 2 O 3 crystallites, coated with a FeCl 3 ·6H 2 O layer. CoCl 2 surface modified γ-Fe 2 O 3 nanoparticles were prepared by adding Co(NO 3 ) 2 during the synthesis. CoFe 2 O 4 modified γ-Fe 2 O 3 nanoparticles were prepared by adding NaOH during the surface modification with Co(NO 3 ) 2 . The CoFe 2 O 4 layer grew epitaxially on the γ-Fe 2 O 3 crystallite to form a composite crystallite, which was coated by CoCl 2 ·6H 2 O. The composite could not be distinguished using X-ray diffraction or transmission electron microscopy, since CoFe 2 O 4 and γ-Fe 2 O 3 possess similar spinel structures and lattice constants. X-ray photoelectron spectroscopy was used to distinguish them. The saturation magnetization and coercivity of the spinel structured γ-Fe 2 O 3 -based nanoparticles were related to the grain size. - Highlights: • γ-Fe 2 O 3 nanoparticles were synthesized by chemical induced transition. • CoCl 2 modified nanoparticles were prepared by additional Co(NO 3 ) 2 during synthesization. • CoFe 2 O 4 modified nanoparticles were prepared by additional Co(NO 3 ) 2 and NaOH. • The magnetism of the nanoparticles is related to the grain size

  8. Potential-induced structural transitions of DL-homocysteine monolayers on Au(111) electrode surfaces

    International Nuclear Information System (INIS)

    Zhang Jingdong; Demetriou, Anna; Welinder, Anne Christina; Albrecht, Tim; Nichols, Richard J.; Ulstrup, Jens

    2005-01-01

    Monolayers of homocysteine on Au(111)-surfaces have been investigated by voltammetry, in situ scanning tunnelling microscopy (STM) and subtractively normalised interfacial Fourier transform spectroscopy (SNIFTIRS). A pair of sharp voltammetric peaks build up in the potential range 0 to -0.1V (vs. SCE) in phosphate buffer pH 7.7. The peak half-widths are about 25mV at a scan rate of 10mVs -1 . This is much smaller than for a one-electron Faradaic process (90.6mV) under similar conditions. The coverage of homocysteine is 6.1 (+/-0.2)x10 -10 molcm -2 , or 5.9x10 -5 Ccm -2 , from Au-S reductive desorption at -0.8V (SCE) in 0.1M NaOH, while the charge is only about 8x10 -6 Ccm -2 (pH 7.7) for the 0 to -0.1V peak. This suggests a capacitive origin. The peak potential and shape depend on pH. At pH 7.7 both cathodic and anodic peak currents reach a maximum, but drop at both higher and lower pH. The midpoint potential shows biphasic behaviour, decreasing linearly with increasing pH until pH 10.4 towards a constant value at higher pH. The cathodic and anodic peak charges decay at pH both higher and lower than 7.7. The homocysteine monolayer was investigated by in situ STM at different potentials at pH 7.7. The molecules pack into highly ordered domains around the peak potential. High-resolution in situ STM reveals a (√3x5) R30 deg. lattice with three homocysteine molecules in each unit cell. The adlayer changes into disordered structures on either side of the peak potential. This process is reversible. We propose that the voltammetric peaks are capacitive. The ordered domains are formed only around the potential of zero charge (pzc) and dissipate at potentials on either side of the peak, inducing mirror charge flow in the metallic electrode as the charged -COO - and -NH 3 + groups approach the surface. No bands for carboxylate coordinated to the surface were observed in SNIFTIRS implying more subtle orientation changes of the charged groups on transcending the voltammetric

  9. Surface adsorption of lattice HP proteins: Thermodynamics and structural transitions using Wang-Landau sampling

    International Nuclear Information System (INIS)

    Li Yingwai; Landau, David P; Wüst, Thomas

    2012-01-01

    Wang-Landau sampling has been applied to investigate the thermodynamics and structural properties of a lattice hydrophobic-polar heteropolymer (the HP protein model) interacting with an attractive substrate. For simplicity, we consider a short HP sequence consisting of only 36 monomers interacting with a substrate which attracts all monomers in the sequence. The conformational “phase transitions” have been identified by a canonical analysis of the specific heat and suitable structural observables. Three major “transitions”, namely, adsorption, hydrophobic core formation and “flattening” of adsorbed structures, are observed. Depending on the surface attractive strength relative to the intra-protein attraction among the H monomers, these processes take place in different sequences upon cooling.

  10. High-resolution structural studies of ultra-thin magnetic, transition metal overlayers and two-dimensional transition metal oxides using synchrotron radiation

    International Nuclear Information System (INIS)

    Kellar, S.A.; Lawrence Berkeley National Lab., CA

    1997-05-01

    This thesis report the surface-structure determination of three, ultra-thin magnetic transition-metal films, Fe/Au(100), Mn/Ni(100), and Mn/Cu(100) using Angle-Resolved Photoemission Extended Fine Structure (ARPEFS) and photoelectron holography. These structural studies are the first to use non-s initial states in the ARPEFS procedure. This thesis also reports an ARPEFS surface-structure determination of a two-dimensional transition-metal oxide, [(1 x 1)O/W(110)] x 12. The authors have analyzed the ARPFES signal from the Au 4f 7/5 core level of the Au(1 ML)/Fe(15 ML)/Au(100) system. The analysis shows that the Fe grows layer by layer with one monolayer of gold, acting as a surfactant, remaining on top of the growing Fe layers. These surface gold atoms sit in the four-fold hollow site, 1.67 ± 0.02 A above the iron surface. The grown Fe layer is very much like the bulk, bcc iron, with an interlayer spacing of 1.43 ± 0.03 A. Analysis of the Mn 3p ARPEFS signals from c(2 x 2)Mn/Ni(100) and c(2 x 2)Mn/Cu(100) shows that the Mn forms highly corrugated surface alloys. The corrugation of the Mn/Ni(100) and Mn/Cu(100) systems are 0.24 ± 0.02 A and 0.30 ± 0.04 A respectively. In both cases the Mn is sticking above the plane of the surface substrate atoms. For the Mn/Ni(100) system the first layer Ni is contracted 4% from the bulk value. The Mn/Cu(100) system shows bulk spacing for the substrate Cu. Photoelectron holography shows that the Mn/Ni interface is very abrupt with very little Mn leaking into the second layer, while the Mn/Cu(100) case has a significant amount of Mn leaking into the second layer. A new, five-element electrostatic electron lens was developed for hemispherical electron-energy analyzers. This lens system can be operated at constant transverse or constants angular magnification, and has been optimized for use with the very small photon-spot sizes. Improvements to the hemispherical electron-energy analyzer are also discussed

  11. High-resolution structural studies of ultra-thin magnetic, transition metal overlayers and two-dimensional transition metal oxides using synchrotron radiation

    Energy Technology Data Exchange (ETDEWEB)

    Kellar, S.A. [Univ. of California, Berkeley, CA (United States). Dept. of Chemistry]|[Lawrence Berkeley National Lab., CA (United States). Advanced Light Source Div.

    1997-05-01

    This thesis report the surface-structure determination of three, ultra-thin magnetic transition-metal films, Fe/Au(100), Mn/Ni(100), and Mn/Cu(100) using Angle-Resolved Photoemission Extended Fine Structure (ARPEFS) and photoelectron holography. These structural studies are the first to use non-s initial states in the ARPEFS procedure. This thesis also reports an ARPEFS surface-structure determination of a two-dimensional transition-metal oxide, [(1 x 1)O/W(110)] x 12. The authors have analyzed the ARPFES signal from the Au 4f{sub 7/5} core level of the Au(1 ML)/Fe(15 ML)/Au(100) system. The analysis shows that the Fe grows layer by layer with one monolayer of gold, acting as a surfactant, remaining on top of the growing Fe layers. These surface gold atoms sit in the four-fold hollow site, 1.67 {+-} 0.02 A above the iron surface. The grown Fe layer is very much like the bulk, bcc iron, with an interlayer spacing of 1.43 {+-} 0.03 A. Analysis of the Mn 3p ARPEFS signals from c(2 x 2)Mn/Ni(100) and c(2 x 2)Mn/Cu(100) shows that the Mn forms highly corrugated surface alloys. The corrugation of the Mn/Ni(100) and Mn/Cu(100) systems are 0.24 {+-} 0.02 A and 0.30 {+-} 0.04 A respectively. In both cases the Mn is sticking above the plane of the surface substrate atoms. For the Mn/Ni(100) system the first layer Ni is contracted 4% from the bulk value. The Mn/Cu(100) system shows bulk spacing for the substrate Cu. Photoelectron holography shows that the Mn/Ni interface is very abrupt with very little Mn leaking into the second layer, while the Mn/Cu(100) case has a significant amount of Mn leaking into the second layer. A new, five-element electrostatic electron lens was developed for hemispherical electron-energy analyzers. This lens system can be operated at constant transverse or constants angular magnification, and has been optimized for use with the very small photon-spot sizes. Improvements to the hemispherical electron-energy analyzer are also discussed.

  12. 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.

  13. Synchrotron X-ray topographic studies of para-ferroelectric transition in ammonium sulphate crystal

    International Nuclear Information System (INIS)

    Bhat, H.L.; Roberts, K.J.

    1993-01-01

    Ammonium sulphate undergoes a para-ferroelectric transition at 223 K. The transition is presumably first order in nature. White radiation topographic studies of this transition are presented here. The existence of pre-transition effects due to lattice deformation leading to severe strain is noticed. This sometimes resulted in dislocation generation. The well defined phase boundary observed in this crystal confirms the first order nature of this transition. The zigzag nature of the phase boundary with preferably oriented segments has been attributed to the specific properties of the strain tensors of the transition. Ferroelectric domains have also been detected by faint dynamical x-ray contrast of their images. (author). 7 refs., 1 fig

  14. [Epidemiological transition of mycosis diseases in sub-Saharan Africa: from surface to depth].

    Science.gov (United States)

    Chandenier, J; Desoubeaux, G

    2015-02-01

    Fungi are schematically responsible for three distinct kinds of infections: superficial mycoses, subcutaneous and deep ones. The current socio-epidemiological transition observed in sub-Saharan Africa does not actually lead to similar consequences regarding these three categories of fungal entities. For instance, it has long been known that superficial mycoses are very prevalent in tropical areas, since they are partly due to the warm climate and the promiscuity. They are mostly caused by dermatophytic fungi or Malassezia sp. (Pityriasis versicolor). Subcutaneous mycoses are rarer, and usually due to dimorphic fungi which are accidentally inoculated into the body after a skin injury or a trauma. Sometimes very spectacular, the clinical outcome is then described as chronic. Thus, chromoblastomycosis, rhinoentomophtoromycosis or mycetoma are some examples of subcutaneous mycoses which remain well-known by practitioners of endemic countries. Deep mycoses (or invasive / systemic mycoses) are defined by fungal infections of deep anatomical sites that should be normally sterile. By contrast with the other entities mentioned above, the outcome may be rapidly fatal for the patient. One of the most outstanding examples was the great increasing of cryptococcal meningitis during the HIV outbreak in the 80'. A few other similar mycoses may be feared in a near future, since they usually occur in contexts of important immunosuppression which are about to be definitely experienced in Africa: overall increase of chronic diseases like diabetes, lengthening life expectancy and its associated diseases, widespread medical practices which were only seen in advanced intensive care units, onco-haematology departments or graft centers so far. Thus, the deep mycoses will inevitably increase in Africa, as they did in all developed countries over the last two decades. The consequences will not only be limited to the clinical management as described above: the diagnostic approach is also

  15. Dimensionally similar studies of confinement and H-mode transition in ASDEX Upgrade and JET

    International Nuclear Information System (INIS)

    Ryter, F.; Stober, J.; Suttrop, W.

    2001-01-01

    Joint experiments on confinement and L-H transition were performed in ASDEX Upgrade and JET. The confinement experiments suggest that the invariance principle is not always fulfilled at high density. For the L-H transition studies, the dimensionless variables taken at the plasma edge can be in general only made identical per pair, due to the condition imposed by the L-H transition. This new approach to investigate the L-H physics suggests a weak dependence of the L-H transition mechanism on collisionality. (author)

  16. Dimensionally similar studies of confinement and H-mode transition in ASDEX Upgrade and JET

    International Nuclear Information System (INIS)

    Ryter, F.; Stober, J.; Suttrop, W.

    1999-01-01

    Joint experiments on confinement and L-H transition were performed in ASDEX Upgrade and JET. The confinement experiments suggest that the invariance principle is not always fulfilled at high density. For the L-H transition studies, the dimensionless variables taken at the plasma edge can be in general only made identical per pair, due to the condition imposed by the L-H transition. This new approach to investigate the L-H physics suggests a weak dependence of the L-H transition mechanism on collisionality. (author)

  17. Health and wellbeing during transition to adulthood for young people with intellectual disabilities: A qualitative study.

    Science.gov (United States)

    Young-Southward, Genevieve; Cooper, Sally-Ann; Philo, Christopher

    2017-11-01

    Transition to adulthood may have negative consequences for health and wellbeing in individuals with intellectual disabilities (ID), but this aspect of transition has received little investigation. This qualitative study aimed to explore the transition experiences of individuals with ID from their own perspectives, and from that of their parents, in order to identify health or wellbeing implications of transition. Semi-structured interviews were conducted with 17 young people with mild, moderate and severe ID aged 16-27 years and with 23 parents of young people with mild, moderate, severe and profound ID aged 16-26 years. Interviews were analysed using thematic analysis, deploying both emic and etic coding categories. This study provides direct insights into the issues on health and wellbeing that young people with ID and their parents find important during transition. The primary health implication of transition centred on mental health and wellbeing; young people experienced heightened anxiety during transition, and themes identified as contributing to anxiety included: a lack of meaningful activity following school exit; inadequate support during transition; and difficulties associated with 'growing up'. Problem behaviours and obesity were also implicated. The transition from school needs to be better supported in order to ease anxiety for young people during this difficult period. Copyright © 2017 Elsevier Ltd. All rights reserved.

  18. Influence of defects on the adhesion of transition metals on non-polar MgO(001) surface: comparative theoretical analysis

    International Nuclear Information System (INIS)

    Zhukovskii, Yu.F.; Kotomin, E.A.

    2004-01-01

    Full text: First principles simulations were performed for noble (Ag) and transition (Cu) atoms adsorbed on regular and defective MgO(001) substrate [1]. Both metal atoms and surface O vacancies (F s centers) were distributed uniformly with one Ag (Cu) atom or F 2 defect per 2x2 surface supercell. Surface O 2- ions are the energetically more preferable for metal atom adsorption on a regular substrate as compared to Mg 2+ ions. The nature of the interaction between Ag or Cu adatoms and a defectless MgO substrate is physisorption (despite the difference in the adsorption energies: 0.62 eV vs. 0.39 eV per Cu and Ag adatom, respectively). Above the F s centers, metal atoms are bounded much stronger as compared with the regular O 2- sites (2.4 eV vs. 2.1 eV per Cu and Ag adatoms, respectively). This is accompanied by a substantial charge transfer towards each adatom (Δq Cu = 0.41 e and Δq Ag = 0.32 e) as well as a formation of partly covalent Me-F s bonds across the interface (Mulliken bond populations p Cu-F s = 0.25 e and p Ag-F s = 0.33 e). Thus, adsorption of transition metal atom on the defective MgO(001) substrate clearly indicates a strong electrostatic bonding because of the considerable interfacial charge redistribution. [1] Yu.F. Zhukovskii, E.A. Kotomin, and G. Borstel, Adsorption of single Ag and Cu atoms on regular and defective MgO(001) substrates: an ab initio study - Vacuum, 73 (2004) in press

  19. Study of the low energy gamma transitions of molybdenum 99; Etude des transitions gamma de basse energie du molybdene 99

    Energy Technology Data Exchange (ETDEWEB)

    Ravier, J.

    1959-07-01

    The study of the decay scheme of Mo{sup 99} has been performed on the magnetic iron-less and double focalization spectrograph of the Institute of Nuclear Physics of Lyon. Methods of internal and external conversion have been used. The intensities of the Mo{sup 99} sources used were not strong enough to determine the characteristics of the internal conversion accurately but were sufficient to precise the decay scheme at low energy. We have determined the internal conversion ratio for the transition of 180 KeV, we have got: 0.13 ± 0.03 which is not in agreement with the value given by a previous experiment based on γ-γ coincidence. Our method seems to be more reliable. We confirm the E2 feature of this transition and its 5/2+ spin. We have determined another important parameter for the 180 KeV de-excitation: the percentage of transitions that do not pass by the isomeric level but by the 140 KeV level is (6 ± 2)%, the isomeric level being at 142 KeV. The gamma spectra at low energy has been studied through the photoelectric effect in a lead converter [French] L'etude du schema de desintegration du Mo{sup 99} deja faite par differents auteurs a ete reprise par des methodes de conversion interne et externe, an moyen du spectrographe magnetique sans fer et a double focalisation de l'Institut de Physique Nucleaire de Lyon. Apres avoir cherche les possibilites d'obtention de sources de haute activite specifique par separation isotopique Szilard-Chalmers sur des molybdates alcalins, le spectre de conversion interne a basse energie a ete mesure. Ainsi se trouverent etre determines les coefficients partiaux de conversion interne. Le spectre γ a basse energie a ete etudier au moyen de l'effet photoelectrique sur un convertisseur de plomb. Les coefficients de conversion interne et les intensites relatives des differentes transitions ont ete calcules moyennant certaines hypotheses. La comparaison entre les valeurs donnees par la theorie et l'experience des differentes

  20. Study the Postbuckling of Hexagonal Piezoelectric Nanowires with Surface Effect

    Directory of Open Access Journals (Sweden)

    O. Rahmani

    2014-04-01

    Full Text Available Piezoelectric nanobeams having circular, rectangular and hexagonal cross-sections are synthesized and used in various Nano structures; however, piezoelectric nanobeams with hexagonal cross-sections have not been studied in detail. In particular, the physical mechanisms of the surface effect and the role of surface stress, surface elasticity and surface piezoelectricity have not been discussed thoroughly. The present study investigated post-buckling behavior of piezoelectric nanobeams by examining surface effects. The energy method was applied to post-buckling of hexagonal nanobeams and the critical buckling voltage and amplitude are derived analytically from bulk and surface material properties and geometric factors.

  1. Magneto-optical study of the Verwey transition in magnetite

    International Nuclear Information System (INIS)

    Neal, J.R.; Behan, A.J.; Mokhtari, A.; Ahmed, M.R.; Blythe, H.J.; Fox, A.M.; Gehring, G.A.

    2007-01-01

    We have made the first detailed Faraday measurements on thin films of Fe 3 O 4 for 10 xy , which is analysed for the changes in the energy, oscillator strength, and width of the transitions. A significant anomaly is seen in these optical parameters within about 10 K of the Verwey temperature. However, there are also some differences between the optical parameters above and below T v over a wider temperature range. The results are interpreted to give valuable information on the orbital ordering

  2. Raman Scattering and Surface Photovoltage Spectroscopy Studies of InGaAs/GaAs Radial Superlattices

    Science.gov (United States)

    Angelova, T.; Cros, A.; Ivanov, Ts.; Donchev, V.; Cantarero, A.; Shtinkov, N.; Deneke, Ch.; Schmidt, O. G.

    2011-12-01

    In this work we get insight into the multilayer structure of rolled-up microtube radial superlattices (RSLs) by the study of the optical and folded acoustic phonon modes of individual microtubes. Raman results show shifts of the InGaAs and GaAs related longitudinal optical modes that can be related to the strain state of the tubes. The folding of the acoustic modes has been related with the periodicity of the artificial superlattice formed by the multiple turns of the heterostructures. Information on the electronic structure and optical transitions of RSLs has been obtained by surface photovoltage spectroscopy. Room temperature spectra reveal several electronic transitions with energies below 1.3 eV. These transitions have been identified as originating from defect levels at the interfaces, as well as from the RSLs and the In0.215Ga0.785As/GaAs quantum well in the unfolded regions of the sample.

  3. Design of the study on transitions in employment, ability and motivation (STREAM)

    NARCIS (Netherlands)

    Geuskens, G.A.; Ybema, J.F.; Heuvel, S.G. van den; Wind, A. de; Leijten, M.S.; Joling, C.I.; Blatter, B.M. van; Burdorf, A.; Beek, A.J. van der; Bongers, P.M.

    2013-01-01

    The objective of the Study on Transitions in Employment, Ability and Motivation (STREAM) is to acquire knowledge on determinants of healthy and productive work participation among persons aged 45–64 years. A research framework was developed with main outcomes of productivity and transitions in

  4. Saudi Deaf Students Post-Secondary Transitioning Experience: A Grounded Theory Study

    Science.gov (United States)

    Almotiri, Abdullah

    2017-01-01

    Understanding how deaf and hard-of-hearing (DHH) international students transition to post-secondary institutions is important for ensuring their academic and personal success. In this grounded theory study, five Saudi Arabian students who are DHH and enrolled at Gallaudet University were interviewed about their transition experience. Participants…

  5. Transitions from nanoscale to microscale dynamic friction mechanisms on polyethylene and silicon surfaces

    International Nuclear Information System (INIS)

    Niederberger, S.; Gracias, D. H.; Komvopoulos, K.; Somorjai, G. A.

    2000-01-01

    The dynamic friction mechanisms of polyethylene and silicon were investigated for apparent contact pressures and contact areas in the ranges of 8 MPa-18 GPa and 17 nm2-9500 μm2, respectively. Friction force measurements were obtained with a friction force microscope, scanning force microscope, and pin-on-disk tribometer. Silicon and diamond tips with a nominal radius of curvature between 100 nm and 1.2 mm were slid against low- and high-density polyethylene and Si(100) substrates under contact loads in the range of 5 nN-0.27 N. The low friction coefficients obtained with all material systems at low contact pressures indicated that deformation at the sliding interface was primarily elastic. Alternatively, the significantly higher friction coefficients at higher contact pressures suggested that plastic deformation was the principal mode of deformation. The high friction coefficients of polyethylene observed with large apparent contact areas are interpreted in terms of the microstructure evolution involving the rearrangement of crystalline regions (lamellae) nearly parallel to the sliding direction, which reduces the surface resistance to plastic shearing. Such differences in the friction behavior of polyethylene resulting from stress-induced microstructural changes were found to occur over a relatively large range of the apparent contact area. The friction behavior of silicon was strongly affected by the presence of a native oxide film. Results are presented to demonstrate the effect of the scale of deformation at the contact interface on the dynamic friction behavior and the significance of contact parameters on the friction measurements obtained with different instruments. (c) 2000 American Institute of Physics

  6. Synchrotron x-ray diffraction study of liquid surfaces

    DEFF Research Database (Denmark)

    Als-Nielsen, Jens Aage; Pershan, P.S.

    1983-01-01

    A spectrometer for X-ray diffraction and refraction studies of horizontal, free surfaces of liquids is described. As an illustration smetic-A layering at the surface of a liquid crystal is presented.......A spectrometer for X-ray diffraction and refraction studies of horizontal, free surfaces of liquids is described. As an illustration smetic-A layering at the surface of a liquid crystal is presented....

  7. Exploring the surface reactivity of 3d metal endofullerenes: a density-functional theory study.

    Science.gov (United States)

    Estrada-Salas, Rubén E; Valladares, Ariel A

    2009-09-24

    Changes in the preferential sites of electrophilic, nucleophilic, and radical attacks on the pristine C60 surface with endohedral doping using 3d transition metal atoms were studied via two useful reactivity indices, namely the Fukui functions and the molecular electrostatic potential. Both of these were calculated at the density functional BPW91 level of theory with the DNP basis set. Our results clearly show changes in the preferential reactivity sites on the fullerene surface when it is doped with Mn, Fe, Co, or Ni atoms, whereas there are no significant changes in the preferential reactivity sites on the C60 surface upon endohedral doping with Cu and Zn atoms. Electron affinities (EA), ionization potentials (IP), and HOMO-LUMO gaps (Eg) were also calculated to complete the study of the endofullerene's surface reactivity. These findings provide insight into endofullerene functionalization, an important issue in their application.

  8. Transcriptomic analysis reveals metabolic switches and surface remodeling as key processes for stage transition in Trypanosoma cruzi

    Directory of Open Access Journals (Sweden)

    Luisa Berná

    2017-03-01

    Full Text Available American trypanosomiasis is a chronic and endemic disease which affects millions of people. Trypanosoma cruzi, its causative agent, has a life cycle that involves complex morphological and functional transitions, as well as a variety of environmental conditions. This requires a tight regulation of gene expression, which is achieved mainly by post-transcriptional regulation. In this work we conducted an RNAseq analysis of the three major life cycle stages of T. cruzi: amastigotes, epimastigotes and trypomastigotes. This analysis allowed us to delineate specific transcriptomic profiling for each stage, and also to identify those biological processes of major relevance in each state. Stage specific expression profiling evidenced the plasticity of T. cruzi to adapt quickly to different conditions, with particular focus on membrane remodeling and metabolic shifts along the life cycle. Epimastigotes, which replicate in the gut of insect vectors, showed higher expression of genes related to energy metabolism, mainly Krebs cycle, respiratory chain and oxidative phosphorylation related genes, and anabolism related genes associated to nucleotide and steroid biosynthesis; also, a general down-regulation of surface glycoprotein coding genes was seen at this stage. Trypomastigotes, living extracellularly in the bloodstream of mammals, express a plethora of surface proteins and signaling genes involved in invasion and evasion of immune response. Amastigotes mostly express membrane transporters and genes involved in regulation of cell cycle, and also express a specific subset of surface glycoprotein coding genes. In addition, these results allowed us to improve the annotation of the Dm28c genome, identifying new ORFs and set the stage for construction of networks of co-expression, which can give clues about coded proteins of unknown functions.

  9. Gendered transitions to adulthood by college field of study in the United States

    Directory of Open Access Journals (Sweden)

    Siqi Han

    2016-09-01

    Full Text Available Background: Field of study may influence the timing of transitions to the labor market, marriage, and parenthood among college graduates. Research to date has yet to study how field of study is associated with the interweaving of these transitions in the USA. Objective: The current study examines gendered influences of college field of study on transitions to a series of adult roles, including full-time work, marriage, and parenthood. Methods: We use Cox proportional hazards models and multinomial logistic regression to examine gendered associations between field of study and the three transitions among college graduates of the NLSY97 (National Longitudinal Survey of Youth cohort. Results: Men majoring in STEM achieve early transitions to full-time work, marriage, and parenthood; women majoring in STEM show no significant advantage in finding full-time work and delayed marriage and childbearing; women in business have earlier transitions to full-time work and marriage than women in other fields, demonstrating an advantage similar to that of men in STEM. Conclusions: The contrast between men and women in STEM shows that transition to adulthood remains gendered; the contrast between women in STEM and women in business illustrates that a prestigious career may not necessarily delay family formation. Contribution: The paper shows how stratification by field of study creates gendered demographic outcomes for college graduates. It also demonstrates that women's decisions regarding marriage and parenthood do not uniformly respond to the economic prospect of their work.

  10. The multi-level perspective analysis: Indonesia geothermal energy transition study

    Science.gov (United States)

    Wisaksono, A.; Murphy, J.; Sharp, J. H.; Younger, P. L.

    2018-01-01

    The study adopts a multi-level perspective in technology transition to analyse how the transition process in the development of geothermal energy in Indonesia is able to compete against the incumbent fossil-fuelled energy sources. Three levels of multi-level perspective are socio-technical landscape (ST-landscape), socio-technical regime (ST-regime) and niche innovations in Indonesia geothermal development. The identification, mapping and analysis of the dynamic relationship between each level are the important pillars of the multi-level perspective framework. The analysis considers the set of rules, actors and controversies that may arise in the technological transition process. The identified geothermal resource risks are the basis of the emerging geothermal technological innovations in Indonesian geothermal. The analysis of this study reveals the transition pathway, which yields a forecast for the Indonesian geothermal technology transition in the form of scenarios and probable impacts.

  11. Ab initio molecular dynamics study of pressure-induced phase transition in ZnS

    International Nuclear Information System (INIS)

    Martinez, Israel; Durandurdu, Murat

    2006-01-01

    The pressure-induced phase transition in zinc sulfide is studied using a constant-pressure ab initio technique. The reversible phase transition from the zinc-blende structure to a rock-salt structure is successfully reproduced through the simulations. The transformation mechanism at the atomistic level is characterized and found to be due to a monoclinic modification of the simulation cell, similar to that obtained in SiC. This observation supports the universal transition state of high-pressure zinc-blende to rock-salt transition in semiconductor compounds. We also study the role of stress deviations on the transformation mechanism and find that the system follows the same transition pathway under nonhydrostatic compressions as well

  12. Impact of surface impurity on phase transitions in amorphous micro silica

    DEFF Research Database (Denmark)

    Haastrup, Sonja; Yu, Donghong; Yue, Yuanzheng

    2016-01-01

    In this work we study three types of spherically shaped micron and submicron sized amorphous micro silica (MS) as common raw material for production of porous calcium silicate products used for insulation, which are selected on basis of chemical composition and production method. Two of them have...... silica content of 96% (from silicon production) and one has that of 92% (from ferro-silicon production). In order to achieve high quality calcium silicate products, which strongly depends on the characteristics of the raw MS, it is crucial to study the chemical and physical properties of the raw MS...

  13. Technology Transition and Adoption: A Study in Search of Metrics for Evaluating Transition

    Science.gov (United States)

    2010-12-01

    develops a technology on time, within budget, and performs as advertised meets all conventional standards for success. However, if the technology gets...Model-Based Integration of Embedded Software ( MoBIES ) 0 USAF 1 0 0 0 0 76 Project Mobius: A Study on the Feasibility of Learning by Reading 0 0 0 1 0...Engine Generator (MSEG) Program 50 1 0 1,203 0 0 1 75 Model-Based Integration of Embedded Software ( MoBIES ) 45 1 0 1,659 0 0 1 76 Project Mobius: A

  14. Gendered transitions to adulthood by college field of study in the United States.

    Science.gov (United States)

    Han, Siqi; Tumin, Dmitry; Qian, Zhenchao

    2016-01-01

    Field of study may influence the timing of transitions to the labor market, marriage, and parenthood among college graduates. Research to date has yet to study how field of study is associated with the interweaving of these transitions in the USA. The current study examines gendered influences of college field of study on transitions to a series of adult roles, including full-time work, marriage, and parenthood. We use Cox proportional hazards models and multinomial logistic regression to examine gendered associations between field of study and the three transitions among college graduates of the NLSY97 (National Longitudinal Survey of Youth) cohort. Men majoring in STEM achieve early transitions to full-time work, marriage, and parenthood; women majoring in STEM show no significant advantage in finding full-time work and delayed marriage and childbearing; women in business have earlier transitions to full-time work and marriage than women in other fields, demonstrating an advantage similar to that of men in STEM. The contrast between men and women in STEM shows that transition to adulthood remains gendered; the contrast between women in STEM and women in business illustrates that a prestigious career may not necessarily delay family formation.

  15. Gendered transitions to adulthood by college field of study in the United States

    Science.gov (United States)

    Han, Siqi; Tumin, Dmitry; Qian, Zhenchao

    2017-01-01

    BACKGROUND Field of study may influence the timing of transitions to the labor market, marriage, and parenthood among college graduates. Research to date has yet to study how field of study is associated with the interweaving of these transitions in the USA. OBJECTIVE The current study examines gendered influences of college field of study on transitions to a series of adult roles, including full-time work, marriage, and parenthood. METHODS We use Cox proportional hazards models and multinomial logistic regression to examine gendered associations between field of study and the three transitions among college graduates of the NLSY97 (National Longitudinal Survey of Youth) cohort. RESULTS Men majoring in STEM achieve early transitions to full-time work, marriage, and parenthood; women majoring in STEM show no significant advantage in finding full-time work and delayed marriage and childbearing; women in business have earlier transitions to full-time work and marriage than women in other fields, demonstrating an advantage similar to that of men in STEM. CONCLUSIONS The contrast between men and women in STEM shows that transition to adulthood remains gendered; the contrast between women in STEM and women in business illustrates that a prestigious career may not necessarily delay family formation. PMID:29075146

  16. The glass transition in cured epoxy thermosets: A comparative molecular dynamics study in coarse-grained and atomistic resolution

    Energy Technology Data Exchange (ETDEWEB)

    Langeloth, Michael; Böhm, Michael C.; Müller-Plathe, Florian [Eduard-Zintl-Institut für Anorganische und Physikalische Chemie and Center of Smart Interfaces, Technische Universität Darmstadt, Alarich Weiss Straße 4, D-64287 Darmstadt (Germany); Sugii, Taisuke, E-mail: taisuke.sugii.zs@hitachi.com [Center for Technology Innovation – Mechanical Engineering, Research & Development Group, Hitachi, Ltd., 832-2, Horiguchi, Hitachinaka, Ibaraki 312-0034 (Japan)

    2015-12-28

    We investigate the volumetric glass transition temperature T{sub g} in epoxy thermosets by means of molecular dynamics simulations. The epoxy thermosets consist of the resin bisphenol A diglycidyl ether and the hardener diethylenetriamine. A structure based coarse-grained (CG) force field has been derived using iterative Boltzmann inversion in order to facilitate simulations of larger length scales. We observe that T{sub g} increases clearly with the degree of cross-linking for all-atomistic (AA) and CG simulations. The transition T{sub g} in CG simulations of uncured mixtures is much lower than in AA-simulations due to the soft nature of the CG potentials, but increases all the more with the formation of rigid cross-links. Additional simulations of the CG mixtures in contact with a surface show the existence of an interphase region of about 3 nm thickness in which the network properties deviate significantly from the bulk. In accordance to experimental studies, we observe that T{sub g} is reduced in this interphase region and gradually increases to its bulk value with distance from the surface. The present study shows that the glass transition is a local phenomenon that depends on the network structure in the immediate environment.

  17. The glass transition in cured epoxy thermosets: A comparative molecular dynamics study in coarse-grained and atomistic resolution

    International Nuclear Information System (INIS)

    Langeloth, Michael; Böhm, Michael C.; Müller-Plathe, Florian; Sugii, Taisuke

    2015-01-01

    We investigate the volumetric glass transition temperature T g in epoxy thermosets by means of molecular dynamics simulations. The epoxy thermosets consist of the resin bisphenol A diglycidyl ether and the hardener diethylenetriamine. A structure based coarse-grained (CG) force field has been derived using iterative Boltzmann inversion in order to facilitate simulations of larger length scales. We observe that T g increases clearly with the degree of cross-linking for all-atomistic (AA) and CG simulations. The transition T g in CG simulations of uncured mixtures is much lower than in AA-simulations due to the soft nature of the CG potentials, but increases all the more with the formation of rigid cross-links. Additional simulations of the CG mixtures in contact with a surface show the existence of an interphase region of about 3 nm thickness in which the network properties deviate significantly from the bulk. In accordance to experimental studies, we observe that T g is reduced in this interphase region and gradually increases to its bulk value with distance from the surface. The present study shows that the glass transition is a local phenomenon that depends on the network structure in the immediate environment

  18. High Precision Renormalization Group Study of the Roughening Transition

    CERN Document Server

    Hasenbusch, M; Pinn, K

    1994-01-01

    We confirm the Kosterlitz-Thouless scenario of the roughening transition for three different Solid-On-Solid models: the Discrete Gaussian model, the Absolute-Value-Solid-On-Solid model and the dual transform of the XY model with standard (cosine) action. The method is based on a matching of the renormalization group flow of the candidate models with the flow of a bona fide KT model, the exactly solvable BCSOS model. The Monte Carlo simulations are performed using efficient cluster algorithms. We obtain high precision estimates for the critical couplings and other non-universal quantities. For the XY model with cosine action our critical coupling estimate is $\\beta_R^{XY}=1.1197(5)$. For the roughening coupling of the Discrete Gaussian and the Absolute-Value-Solid-On-Solid model we find $K_R^{DG}=0.6645(6)$ and $K_R^{ASOS}=0.8061(3)$, respectively.

  19. Magneto-optical study of the Verwey transition in magnetite

    Energy Technology Data Exchange (ETDEWEB)

    Neal, J.R. [Department of Physics and Astronomy, University of Sheffield, Sheffield S3 7RH (United Kingdom); Behan, A.J. [Department of Physics and Astronomy, University of Sheffield, Sheffield S3 7RH (United Kingdom); Mokhtari, A. [Department of Physics and Astronomy, University of Sheffield, Sheffield S3 7RH (United Kingdom); Ahmed, M.R. [Department of Physics and Astronomy, University of Sheffield, Sheffield S3 7RH (United Kingdom); Blythe, H.J. [Department of Physics and Astronomy, University of Sheffield, Sheffield S3 7RH (United Kingdom); Fox, A.M. [Department of Physics and Astronomy, University of Sheffield, Sheffield S3 7RH (United Kingdom); Gehring, G.A. [Department of Physics and Astronomy, University of Sheffield, Sheffield S3 7RH (United Kingdom)]. E-mail: G.A.Gehring@Sheffield.ac.uk

    2007-03-15

    We have made the first detailed Faraday measurements on thin films of Fe{sub 3}O{sub 4} for 10transitions. A significant anomaly is seen in these optical parameters within about 10 K of the Verwey temperature. However, there are also some differences between the optical parameters above and below T {sub v} over a wider temperature range. The results are interpreted to give valuable information on the orbital ordering.

  20. A DFT study of volatile organic compounds adsorption on transition metal deposited graphene

    International Nuclear Information System (INIS)

    Kunaseth, Manaschai; Poldorn, Preeyaporn; Junkeaw, Anchalee; Meeprasert, Jittima; Rungnim, Chompoonut; Namuangruk, Supawadee; Kungwan, Nawee; Inntam, Chan; Jungsuttiwong, Siriporn

    2017-01-01

    Highlights: • VOCs removal via modified carbon-based adsorbent using density functional theory. • The single-vacancy defective graphene (SDG) with metal-deposited significantly increase the adsorption efficiency. • TM-doped SDG is a suitable adsorbent material for VOC removal. • Electron in hybridized sp"2-orbitals of heteroatoms has an effect on mode of adsorption. - Abstract: Recently, elevated global emission of volatile organic compounds (VOCs) was associated to the acceleration and increasing severity of climate change worldwide. In this work, we investigated the performance of VOCs removal via modified carbon-based adsorbent using density functional theory. Here, four transition metals (TMs) including Pd, Pt, Ag, and Au were deposited onto single-vacancy defective graphene (SDG) surface to increase the adsorption efficiency. Five prototypical VOCs including benzene, furan, pyrrole, pyridine, and thiophene were used to study the adsorption capability of metal-deposited graphene adsorbent. Calculation results revealed that Pd, Pt, Au, and Ag atoms and nanoclusters bind strongly onto the SDG surface. In this study, benzene, furan and pyrrole bind in the π-interaction mode using delocalized π-electron in aromatic ring, while pyridine and thiophene favor X- interaction mode, donating lone pair electron from heteroatom. In terms of adsorption, pyridine VOC adsorption strengths to the TM-cluster doped SDG surfaces are Pt_4 (−2.11 eV) > Pd_4 (−2.05 eV) > Ag_4 (−1.53 eV) > Au_4 (−1.87 eV). Our findings indicate that TM-doped SDG is a suitable adsorbent material for VOC removal. In addition, partial density of states analysis suggests that benzene, furan, and pyrrole interactions with TM cluster are based on p-orbitals of carbon atoms, while pyridine and thiophene interactions are facilitated by hybridized sp"2-orbitals of heteroatoms. This work provides a key insight into the fundamentals of VOCs adsorption on carbon-based adsorbent.

  1. Transitional lumbosacral vertebral anomaly in the dog: a radiographic study

    International Nuclear Information System (INIS)

    Morgan, J.P.

    1999-01-01

    Transitional lumbosacral vertebral anomalies have for some time been suggested as a possible cause of cauda equina syndrome (especially in the German shepherd dog [GSD]), a condition recently thought to be inherited. The frequency of this condition within a large clinical population and the radiographic features used in its detection are reported. In a group of 143 patients, the sexes were similarly represented and the GSD was greatly over represented. The anomaly is characterised by separation of the first sacral segment that was identified on the lateral view by the presence of a radiolucent disc space between what are normally the first and second sacral segments. On the ventrodorsal view, the anomaly was characterised by separation of the spinous processes between what are normally the first and second sacral segments. In the presence of the transitional segment, the nature of the sacroiliac joint at the level of the anomalous segment varies from a strong ilial attachment, with the presence of a wing-like lateral process, to a weakened ilial attachment because of the presence of a lateral process, shaped as that seen on a lumbar segment. These patterns were present unilaterally or bilaterally and result in symmetrical or asymmetrical patterns. The effect of the weakening of the sacroiliac attachment was thought to result in premature disc degeneration, which, together with spinal canal stenosis, resulted in potential compression of the overlying spinal nerves and creation of a cauda equina syndrome. The condition is thought to have clinical significance and should be selected against in breeding, especially in the GSD

  2. Parametric study of separation and transition characteristics over an airfoil at low Reynolds numbers

    Energy Technology Data Exchange (ETDEWEB)

    Boutilier, Michael S.H.; Yarusevych, Serhiy [University of Waterloo, Waterloo, ON (Canada)

    2012-06-15

    Time-resolved surface pressure measurements are used to experimentally investigate characteristics of separation and transition over a NACA 0018 airfoil for the relatively wide range of chord Reynolds numbers from 50,000 to 250,000 and angles of attack from 0 to 21 . The results provide a comprehensive data set of characteristic parameters for separated shear layer development and reveal important dependencies of these quantities on flow conditions. Mean surface pressure measurements are used to explore the variation in separation bubble position, edge velocity in the separated shear layer, and lift coefficients with angle of attack and Reynolds number. Consistent with previous studies, the separation bubble is found to move upstream and decrease in length as the Reynolds number and angle of attack increase. Above a certain angle of attack, the proximity of the separation bubble to the location of the suction peak results in a reduced lift slope compared to that observed at lower angles. Simultaneous measurements of the time-varying component of surface pressure at various spatial locations on the model are used to estimate the frequency of shear layer instability, maximum root-mean-square (RMS) surface pressure, spatial amplification rates of RMS surface pressure, and convection speeds of the pressure fluctuations in the separation bubble. A power-law correlation between the shear layer instability frequency and Reynolds number is shown to provide an order of magnitude estimate of the central frequency of disturbance amplification for various airfoil geometries at low Reynolds numbers. Maximum RMS surface pressures are found to agree with values measured in separation bubbles over geometries other than airfoils, when normalized by the dynamic pressure based on edge velocity. Spatial amplification rates in the separation bubble increase with both Reynolds number and angle of attack, causing the accompanying decrease in separation bubble length. Values of the

  3. Role of surface studies in science and technology

    Energy Technology Data Exchange (ETDEWEB)

    Karkhanavala, M D [Bhabha Atomic Research Centre, Bombay (India). Chemistry Div.

    1977-01-01

    Reactivity of solids is influenced by the surface properties such as structure, dislocations and composition. Corrosion and erosion are essentially surface phenomena. Surface studies, therefore, assume importance in prevention and minimization of corrosion and erosion. Discussion is illustrated with examples drawn from the field of nuclear power reactor technology.

  4. [Artificial Cysteine Bridges on the Surface of Green Fluorescent Protein Affect Hydration of Its Transition and Intermediate States].

    Science.gov (United States)

    Melnik, T N; Nagibina, G S; Surin, A K; Glukhova, K A; Melnik, B S

    2018-01-01

    Studying the effect of cysteine bridges on different energy levels of multistage folding proteins will enable a better understanding of the process of folding and functioning of globular proteins. In particular, it will create prospects for directed change in the stability and rate of protein folding. In this work, using the method of differential scanning microcalorimetry, we have studied the effect of three cysteine bridges introduced in different structural elements of the green fluorescent protein on the denaturation enthalpies, activation energies, and heat-capacity increments when this protein passes from native to intermediate and transition states. The studies have allowed us to confirm that, with this protein denaturation, the process hardly damages the structure initially, but then changes occur in the protein structure in the region of 4-6 beta sheets. The cysteine bridge introduced in this region decreases the hydration of the second transition state and increases the hydration of the second intermediate state during the thermal denaturation of the green fluorescent protein.

  5. Theoretical studies of potential energy surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Harding, L.B. [Argonne National Laboratory, IL (United States)

    1993-12-01

    The goal of this program is to calculate accurate potential energy surfaces (PES) for both reactive and nonreactive systems. To do this the electronic Schrodinger equation must be solved. Our approach to this problem starts with multiconfiguration self-consistent field (MCSCF) reference wavefunctions. These reference wavefunctions are designed to be sufficiently flexible to accurately describe changes in electronic structure over a broad range of geometries. Electron correlation effects are included via multireference, singles and doubles configuration interaction (MRSDCI) calculations. With this approach, the authors are able to provide useful predictions of the energetics for a broad range of systems.

  6. Reversible and irreversible changes of surface morphology by order-disorder transition in CuAu alloy

    International Nuclear Information System (INIS)

    Sachl, Jindrich; Sima, Vladimir; Pfeiler, Wolfgang

    2004-01-01

    The change of symmetry from the disordered fcc structure to tetragonal or orthorhombic structure is accompanied in CuAu alloy by anisotropy of lattice parameters and also by local generation of c-variants of structural antiphase domains. Macroscopic results of these processes can be observed as a dynamic change of the surface morphology. Some surface changes are reversible, on the other hand the internal stresses connected with the order-disorder transformation are also responsible for irreversible surface deformation effects. The domain structure formation can be influenced by external load and a shape memory effect can be observed at special conditions in CuAu. A combination of in-situ microscopic video cinematography and post-mortem 3-D atomic force microscopy (AFM) has been used for the surface study. The AFM images have enabled a detailed analysis of the surface morphology and the cinematography has given an in-situ information dealing with conditions and kinetics of observed surface changes. Measurements on CuAu single- and poly-crystalline samples have been made for a wide variety of experimental conditions (heating/cooling rates, external load, thermal history of the sample)

  7. Reversible and irreversible changes of surface morphology by order-disorder transition in CuAu alloy

    Energy Technology Data Exchange (ETDEWEB)

    Sachl, Jindrich; Sima, Vladimir; Pfeiler, Wolfgang

    2004-09-22

    The change of symmetry from the disordered fcc structure to tetragonal or orthorhombic structure is accompanied in CuAu alloy by anisotropy of lattice parameters and also by local generation of c-variants of structural antiphase domains. Macroscopic results of these processes can be observed as a dynamic change of the surface morphology. Some surface changes are reversible, on the other hand the internal stresses connected with the order-disorder transformation are also responsible for irreversible surface deformation effects. The domain structure formation can be influenced by external load and a shape memory effect can be observed at special conditions in CuAu. A combination of in-situ microscopic video cinematography and post-mortem 3-D atomic force microscopy (AFM) has been used for the surface study. The AFM images have enabled a detailed analysis of the surface morphology and the cinematography has given an in-situ information dealing with conditions and kinetics of observed surface changes. Measurements on CuAu single- and poly-crystalline samples have been made for a wide variety of experimental conditions (heating/cooling rates, external load, thermal history of the sample)

  8. Multiple and multidimensional transitions from trainee to trained doctor: a qualitative longitudinal study in the UK.

    Science.gov (United States)

    Gordon, Lisi; Jindal-Snape, Divya; Morrison, Jill; Muldoon, Janine; Needham, Gillian; Siebert, Sabina; Rees, Charlotte

    2017-12-01

    To explore trainee doctors' experiences of the transition to trained doctor, we answer three questions: (1) What multiple and multidimensional transitions (MMTs) are experienced as participants move from trainee to trained doctor? (2) What facilitates and hinders doctors' successful transition experiences? (3) What is the impact of MMTs on trained doctors? A qualitative longitudinal study underpinned by MMT theory. Four training areas (health boards) in the UK. 20 doctors, 19 higher-stage trainees within 6 months of completing their postgraduate training and 1 staff grade, associate specialist or specialty doctor, were recruited to the 9-month longitudinal audio-diary (LAD) study. All completed an entrance interview, 18 completed LADs and 18 completed exit interviews. Data were analysed cross-sectionally and longitudinally using thematic Framework Analysis. Participants experienced a multiplicity of expected and unexpected, positive and negative work-related transitions (eg, new roles) and home-related transitions (eg, moving home) during their trainee-trained doctor transition. Factors facilitating or inhibiting successful transitions were identified at various levels: individual (eg, living arrangements), interpersonal (eg, presence of supportive relationships), systemic (eg, mentoring opportunities) and macro (eg, the curriculum provided by Medical Royal Colleges). Various impacts of transitions were also identified at each of these four levels: individual (eg, stress), interpersonal (eg, trainees' children spending more time in childcare), systemic (eg, spending less time with patients) and macro (eg, delayed start in trainees' new roles). Priority should be given to developing supportive relationships (both formal and informal) to help trainees transition into their trained doctor roles, as well as providing more opportunities for learning. Further longitudinal qualitative research is now needed with a longer study duration to explore transition journeys for

  9. Adsorption of branched and dendritic polymers onto flat surfaces: A Monte Carlo study

    International Nuclear Information System (INIS)

    Sommer, J.-U.; Kłos, J. S.; Mironova, O. N.

    2013-01-01

    Using Monte Carlo simulations based on the bond fluctuation model we study the adsorption of starburst dendrimers with flexible spacers onto a flat surface. The calculations are performed for various generation number G and spacer length S in a wide range of the reduced temperature τ as the measure of the interaction strength between the monomers and the surface. Our simulations indicate a two-step adsorption scenario. Below the critical point of adsorption, τ c , a weakly adsorbed state of the dendrimer is found. Here, the dendrimer retains its shape but sticks to the surface by adsorbed spacers. By lowering the temperature below a spacer-length dependent value, τ*(S) c , a step-like transition into a strongly adsorbed state takes place. In the flatly adsorbed state the shape of the dendrimer is well described by a mean field model of a dendrimer in two dimensions. We also performed simulations of star-polymers which display a simple crossover-behavior in full analogy to linear chains. By analyzing the order parameter of the adsorption transition, we determine the critical point of adsorption of the dendrimers which is located close to the critical point of adsorption for star-polymers. While the order parameter for the adsorbed spacers displays a critical crossover scaling, the overall order parameter, which combines both critical and discontinuous transition effects, does not display simple scaling. The step-like transition from the weak into the strong adsorbed regime is confirmed by analyzing the shape-anisotropy of the dendrimers. We present a mean-field model based on the concept of spacer adsorption which predicts a discontinuous transition of dendrimers due to an excluded volume barrier. The latter results from an increased density of the dendrimer in the flatly adsorbed state which has to be overcome before this state is thermodynamically stable

  10. Adsorption of branched and dendritic polymers onto flat surfaces: A Monte Carlo study

    Energy Technology Data Exchange (ETDEWEB)

    Sommer, J.-U. [Leibniz Institute of Polymer Research Dresden e. V., 01069 Dresden (Germany); Institute for Theoretical Physics, Technische Universität Dresden, 01069 Dresden (Germany); Kłos, J. S. [Leibniz Institute of Polymer Research Dresden e. V., 01069 Dresden (Germany); Faculty of Physics, A. Mickiewicz University, Umultowska 85, 61-614 Poznań (Poland); Mironova, O. N. [Leibniz Institute of Polymer Research Dresden e. V., 01069 Dresden (Germany)

    2013-12-28

    Using Monte Carlo simulations based on the bond fluctuation model we study the adsorption of starburst dendrimers with flexible spacers onto a flat surface. The calculations are performed for various generation number G and spacer length S in a wide range of the reduced temperature τ as the measure of the interaction strength between the monomers and the surface. Our simulations indicate a two-step adsorption scenario. Below the critical point of adsorption, τ{sub c}, a weakly adsorbed state of the dendrimer is found. Here, the dendrimer retains its shape but sticks to the surface by adsorbed spacers. By lowering the temperature below a spacer-length dependent value, τ*(S) < τ{sub c}, a step-like transition into a strongly adsorbed state takes place. In the flatly adsorbed state the shape of the dendrimer is well described by a mean field model of a dendrimer in two dimensions. We also performed simulations of star-polymers which display a simple crossover-behavior in full analogy to linear chains. By analyzing the order parameter of the adsorption transition, we determine the critical point of adsorption of the dendrimers which is located close to the critical point of adsorption for star-polymers. While the order parameter for the adsorbed spacers displays a critical crossover scaling, the overall order parameter, which combines both critical and discontinuous transition effects, does not display simple scaling. The step-like transition from the weak into the strong adsorbed regime is confirmed by analyzing the shape-anisotropy of the dendrimers. We present a mean-field model based on the concept of spacer adsorption which predicts a discontinuous transition of dendrimers due to an excluded volume barrier. The latter results from an increased density of the dendrimer in the flatly adsorbed state which has to be overcome before this state is thermodynamically stable.

  11. Biomimetic PDMS-hydroxyurethane terminated with catecholic moieties for chemical grafting on transition metal oxide-based surfaces

    Science.gov (United States)

    de Aguiar, Kelen R.; Rischka, Klaus; Gätjen, Linda; Noeske, Paul-Ludwig Michael; Cavalcanti, Welchy Leite; Rodrigues-Filho, Ubirajara P.

    2018-01-01

    The aim of this work was to synthesize a non-isocyanate poly(dimethylsiloxane) hydroxyurethane with biomimetic terminal catechol moieties, as a candidate for inorganic and metallic surface modification. Such surface modifier is capable to strongly attach onto metallic and inorganic substrates forming layers and, in addition, providing water-repellent surfaces. The non-isocyanate route is based on carbon dioxide cycloaddition into bis-epoxide, resulting in a precursor bis(cyclic carbonate)-polydimethylsiloxane (CCPDMS), thus fully replacing isocyanate in the manufacture process. A biomimetic approach was chosen with the molecular composition being inspired by terminal peptides present in adhesive proteins of mussels, like Mefp (Mytilus edulis foot protein), which bear catechol moieties and are strong adhesives even under natural and saline water. The catechol terminal groups were grafted by aminolysis reaction into a polydimethylsiloxane backbone. The product, PDMSUr-Dopamine, presented high affinity towards inhomogeneous alloy surfaces terminated by native oxide layers as demonstrated by quartz crystal microbalance (QCM-D), as well as stability against desorption by rinsing with ethanol. As revealed by QCM-D, X-ray photoelectron spectroscopy (XPS) and computational studies, the thickness and composition of the resulting nanolayers indicated an attachment of PDMSUr-Dopamine molecules to the substrate through both terminal catechol groups, with the adsorbate exposing the hydrophobic PDMS backbone. This hypothesis was investigated by classical molecular dynamic simulation (MD) of pure PDMSUr-Dopamine molecules on SiO2 surfaces. The computationally obtained PDMSUr-Dopamine assembly is in agreement with the conclusions from the experiments regarding the conformation of PDMSUr-Dopamine towards the surface. The tendency of the terminal catechol groups to approach the surface is in agreement with proposed model for the attachment PDMSUr-Dopamine. Remarkably, the versatile

  12. Energy transitions in France: lessons learned from prospective studies. Contribution to the National Debate on Energy Transition

    International Nuclear Information System (INIS)

    Bibas, Ruben; Hourcade, Jean-Charles

    2013-01-01

    After having outlined that the debates on energy transition in France focus on three main issues (management of greenhouse gas emissions, future of nuclear within the French energy mix, energy security), the authors report the use of the Imaclim-R France model (a multi-sector recursive hybrid model) which is adapted to sensitivity studies for the whole set of hypotheses. As energy parameters, they use data provided by ENCILOWCARB scenarios from a European project (Engaging civil society in low carbon scenarios). After having examined that they are not sufficient to conduct a transition strategy leading to a F4 pathway of reduction of greenhouse gas emissions and/or a progressive phasing out nuclear, they consider the policies which are necessary to mobilise potentials of energy saving and emission reduction. Several scenarios are studied in terms of energy and environmental performances and in terms of economic and social performances: scenarios based on policies and measures with or without additional component (carbon tax, social negotiation, carbon finance)

  13. Measurements of the liquidus surface and solidus transitions of the NaCl–UCl_3 and NaCl–UCl_3–CeCl_3 phase diagrams

    International Nuclear Information System (INIS)

    Sooby, E.S.; Nelson, A.T.; White, J.T.; McIntyre, P.M.

    2015-01-01

    NaCl–UCl_3–PuCl_3 is proposed as the fuel salt for a number of molten salt reactor concepts. No experimental data exists for the ternary system, and limited data is available for the binary compositions of this salt system. Differential scanning calorimetry is used in this study to examine the liquidus surface and solidus transition of a surrogate fuel-salt (NaCl–UCl_3–CeCl_3) and to reinvestigate the NaCl–UCl_3 eutectic phase diagram. The results of this study show good agreement with previously reported data for the pure salt compounds used (NaCl, UCl_3, and CeCl_3) as well as for the eutectic points for the NaCl–UCl_3 and NaCl–CeCl_3 binary systems. The NaCl–UCl_3 liquidus surface produced in this study predicts a 30–40 "°C increase on the NaCl-rich side of the binary phase diagram. The increase in liquidus temperature could prove significant to molten salt reactor modeling.

  14. LEED crystallography studies of the structure of clean and adsorbate-covered Ir, Pt and Rh crystal surfaces

    International Nuclear Information System (INIS)

    Koestner, R.J.

    1982-08-01

    There have only been a few Low Energy Electron Diffraction (LEED) intensity analyses carried out to determine the structure of molecules adsorbed on metal surfaces; most surface crystallography studies concentrated on the structure of clean unreconstructed or atomic adsorbate-covered transition metal faces. The few molecular adsorption systems already investigated by dynamical LEED are CO on Ni(100), Cu(100) and Pd(100) as well as C 2 H 2 and C 2 H 4 adsorbed on Pt(111). The emphasis of this thesis research has been to extend the applicability of LEED crystallography to the more complicated unit cells found in molecular overlayers on transition metals or in there constructed surfaces of clean transition metals

  15. LEED crystallography studies of the structure of clean and adsorbate-covered Ir, Pt and Rh crystal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Koestner, R.J.

    1982-08-01

    There have only been a few Low Energy Electron Diffraction (LEED) intensity analyses carried out to determine the structure of molecules adsorbed on metal surfaces; most surface crystallography studies concentrated on the structure of clean unreconstructed or atomic adsorbate-covered transition metal faces. The few molecular adsorption systems already investigated by dynamical LEED are CO on Ni(100), Cu(100) and Pd(100) as well as C/sub 2/H/sub 2/ and C/sub 2/H/sub 4/ adsorbed on Pt(111). The emphasis of this thesis research has been to extend the applicability of LEED crystallography to the more complicated unit cells found in molecular overlayers on transition metals or in there constructed surfaces of clean transition metals.

  16. A study of the static to kinetic friction transition of polymers

    OpenAIRE

    Lee, Edward Chungjen

    1995-01-01

    This study investigates the transition from static to kinetic friction for structural polymers and continues previous research conducted by Dr. N. S. Eiss, B. McCann, and R. Molique. A new test apparatus which simultaneously measures friction, normal load, and relative velocity was developed to study this transition. The polymers used in this study were nylon, ABS, polycarbonate, and fiberglass filled and unfilled polypropylene. Creep effects of polymers on the static coefficie...

  17. A computational study of pressure-induced structural transition in ThSb

    International Nuclear Information System (INIS)

    Trinadh, Ch.U.M.; Rajagopalan, M.; Natarajan, S.

    1997-01-01

    The pressure induced phase transition from NaCl-type to CsCl-type structure in ThSb was studied using total energy calculations by tight-binding linear muffin tin orbital (TBLMTO) method within atomic sphere approximation (ASA). The density of states (DOS) at ambient pressure was compared with resonant photoemission studies (PES). The variation in interatomic distances during the transition was found to be in agreement with high pressure x-ray diffraction (HPXRD) studies. (author)

  18. Study on surface wave characteristics of free surface flow of liquid metal lithium for IFMIF

    International Nuclear Information System (INIS)

    Hoashi, Eiji; Sugiura, Hirokazu; Yoshihashi-Suzuki, Sachiko; Yamaoka, Nobuo; Horiike, Hiroshi; Kanemura, Takuji; Kondo, Hiroo

    2011-01-01

    The international fusion materials irradiation facility (IFMIF) presents an intense neutron source to develop fusion reactor materials. The free surface flow of a liquid metal Lithium (Li) is planned as a target irradiated by two deuteron beams to generate intense neutrons and it is thus important to obtain knowledge of the surface wave characteristic for the safety and the efficiency of system in the IFMIF. We have been studying on surface wave characteristics experimentally using the liquid metal Li circulation facility at Osaka University and numerically using computational fluid dynamics (CFD) code, FLUENT. This paper reports the results of the surface fluctuation, the wave height and the surface velocity in the free surface flow of the liquid metal Li examined experimentally and numerically. In the experiment, an electro-contact probe apparatus was used to obtain the surface fluctuation and the wave height, and a high speed video was used to measure the surface velocity. We resulted in knowledge of the surface wave growth mechanism. On the other hand, a CFD simulation was also conducted to obtain information on the relation of the free surface with the inner flow. In the simulation, the model included from a two-staged contraction nozzle to a flow channel with a free surface flow region and simulation results were compared with the experimental data. (author)

  19. Transition conductivity study of high temperature superconductor compounds: the role of fluctuations

    International Nuclear Information System (INIS)

    Pagnon, V.

    1991-04-01

    This memory subject is the transition conductivity study of high temperature superconductors in corelation with their anisotropy. Systematic conductivity measurements were made on YBaCuO and BaSrCaCuO in relation with temperature from 4.2 K to 1200 K, and with a magnetic field up to 8 T in several directions. Oxygen order has an effect on the characteristics at YBaCuO transition conductivity. The activation energy for oxygen absorption is about 0.5eV. One method of analysis of the conductivity fluctuations about the transition temperature is proposed. Two separate rates are noticeable in YBaCuO compound. The 3 D fluctuations rate in the immediate neighbourghood of the transition lets place to the 2 D fluctuations rate at high temperature. Transitions temperatures governing each rate are different, that's incompatible with the formula proposed by Lawrence and Doniach. On the other hand, the analogy with quasi-2 D magnetic systems seems more relevant. A magnetic field application or a lowering of oxygen concentration removes the 3 D fluctuations rate. Non ohmic effects observed at the transition conductivity foot are analysis as a non-linear 2 D excitation manifestation of the supraconductive phase. Finally, by measurements on strontium doped YBaCuO crystals, we confirm a metal-insulator transition along the C-Axe when oxygen concentration reduces. This is connected with the specific heat jump. All these results uplighten the fundamental bidimensional character of high transition temperature superconductivity [fr

  20. Study of the coefficients of internal conversion for transition energies approaching the threshold

    International Nuclear Information System (INIS)

    Farani Coursol, Nelcy.

    1979-01-01

    Internal conversion coefficients were determined experimentally with great accuracy for areas of transition energies, which constitute tests for the theories (energies at the most ten kEv above the threshold of K shell), then the results obtained were compared with the values calculated (or to be calculated) from theoretical models. Owing to the difficulties raised by the precise determination of the internal conversion coefficients (ICC), in the first stage we selected radionuclides with a relatively simple decay pattern, the transitions: 30 keV of sup(93m)Nb, 35 keV of sup(125m)Te, 14 keV of 57 Fe and 39 keV of sup(129m)Xe. It was observed that 'problems' exist with respect to the ICC's of the great multipolarity transitions, so the transitions of this kind were examined in a systematic manner. The possibility of penetration effects occurring for the transitions studied experimentally was examined. The considerations are presented which 'authorized' us to disregard the dynamic part of the ICC for the transitions approaching the threshold (L selection rules and life of nuclear levels in relation to Weisskopf-Moszkowski estimations). The Kurie straight line was determined experimentally for the β - transition and the Qsub(β) was evaluated with an important accuracy gain compared with the values available at present. Finally, a certain number of ICC's of transitions already determined with good precision were recalculated, in order to extend our analysis and detect any possible systematic errors [fr

  1. Exploring the need for Transition Readiness Scales within cystic fibrosis services: A qualitative descriptive study.

    Science.gov (United States)

    Bourke, Mary; Houghton, Catherine

    2018-07-01

    To explore healthcare professionals' and patients' perceptions of the potential use of a Transition Readiness Scale in cystic fibrosis care. This included an examination of barriers and facilitators to its implementation along with the identification of key items to include in a Transition Readiness Scale. Due to increasing life expectancy and improved quality of life, more adolescents with cystic fibrosis are transitioning from paediatric to adult health care. To assess and correctly manage this transition, a more structured approach to transition is advocated. This can be achieved using a Transition Readiness Scale to potentially identify or target areas of care in which the adolescent may have poor knowledge. These key items include education, developmental readiness taking into account relationships, reproduction, future plans and self-management skills. Existing tools to gauge readiness concentrate mainly on education and self-care needs assessment as their key items. Currently, there is no specific cystic fibrosis Transition Readiness Scale in use in Ireland or internationally. The study used a descriptive qualitative design. Data were collected using semi-structured interviews (n = 8) and analysed using a thematic approach. The findings identified the potential benefits of this tool and second the resources which need to be in place before its development and implementation into cystic fibrosis services. Transition Readiness Scales have substantial relevance with cystic fibrosis services emphasising the importance of establishing the necessary resources prior to its implementation. These were identified as more staff, a dedicated private space and staff training and education. Significant resources are needed to fully integrate Transition Readiness Scales in practice. The study findings suggest multidisciplinary collaborations, and patient engagement is pivotal in planning and easing the transition process for adolescents with cystic fibrosis. © 2018 The

  2. Modern methods of studying surfaces and their application to glasses

    International Nuclear Information System (INIS)

    Rauschenbach, B.; Haehnert, M.

    1977-05-01

    In the works are demonstrated modern methods for study of solid surfaces and its use of glasses. Study of the interaction of ions, electrons and photons with the glass surface provides information about the composition of the surface and its structure on an atomic scale. A qualitative analysis of a surface can be made with the aid of the Auger electron spectroscopy (AES) and the electron spectroscopy for chemical analysis (ESCA) and with the ion scattering (ISS and RBS) and the secondary ion mass spectrometry (SIMS). The structure of a surface can be studied by means of ion scattering and low-energy electron diffraction (LEED) and the topography of a surface by means of scanning electron microscopy (SEM). The ellipsometry is generally confined to measuring the thickness of very thin layers. The application these methods to the glass surfaces is demonstrated on series of examples. (author)

  3. Study of Confinement/Deconfinement Transition in AdS/QCD with Generalized Warp Factors

    Directory of Open Access Journals (Sweden)

    Shobhit Sachan

    2014-01-01

    Full Text Available We study analytical solutions of charged black holes and thermally charged AdS with generalized warped factors in Einstein-Maxwell-Dilaton system. We calculate Euclidean action for charged AdS and thermally charged AdS. The actions in both backgrounds are regularized by the method of background subtraction. The study of phase transition between charged black hole and thermally charged AdS gives an insight into the confinement/deconfinement transition. The plots of grand potential versus temperature and chemical potential versus transition temperature are obtained.

  4. 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.

  5. Lipid order, saturation and surface property relationships: a study of human meibum saturation.

    Science.gov (United States)

    Mudgil, Poonam; Borchman, Douglas; Yappert, Marta C; Duran, Diana; Cox, Gregory W; Smith, Ryan J; Bhola, Rahul; Dennis, Gary R; Whitehall, John S

    2013-11-01

    Tear film stability decreases with age however the cause(s) of the instability are speculative. Perhaps the more saturated meibum from infants may contribute to tear film stability. The meibum lipid phase transition temperature and lipid hydrocarbon chain order at physiological temperature (33 °C) decrease with increasing age. It is reasonable that stronger lipid-lipid interactions could stabilize the tear film since these interactions must be broken for tear break up to occur. In this study, meibum from a pool of adult donors was saturated catalytically. The influence of saturation on meibum hydrocarbon chain order was determined by infrared spectroscopy. Meibum is in an anhydrous state in the meibomian glands and on the surface of the eyelid. The influence of saturation on the surface properties of meibum was determined using Langmuir trough technology. Saturation of native human meibum did not change the minimum or maximum values of hydrocarbon chain order so at temperatures far above or below the phase transition of human meibum, saturation does not play a role in ordering or disordering the lipid hydrocarbon chains. Saturation did increase the phase transition temperature in human meibum by over 20 °C, a relatively high amount. Surface pressure-area studies showing the late take off and higher maximum surface pressure of saturated meibum compared to native meibum suggest that the saturated meibum film is quite molecularly ordered (stiff molecular arrangement) and elastic (molecules are able to rearrange during compression and expansion) compared with native meibum films which are more fluid agreeing with the infrared spectroscopic results of this study. In saturated meibum, the formation of compacted ordered islands of lipids above the surfactant layer would be expected to decrease the rate of evaporation compared to fluid and more loosely packed native meibum. Higher surface pressure observed with films of saturated meibum compared to native meibum

  6. Experimental Study of Hypersonic Inflatable Aerodynamic Decelerator (HIAD) Aeroshell with Axisymmetric Surface Deflection Patterns

    Science.gov (United States)

    Hollis, Brian R.; Hollingsworth, Kevin E.

    2017-01-01

    A wind tunnel test program was conducted to obtain aeroheating environment data on Hypersonic Inflatable Aerodynamic Decelerator aeroshells with flexible thermal protection systems. Data were obtained on a set of rigid wind tunnel models with surface deflection patterns of various heights that simulated a range of potential in-flight aeroshell deformations. Wind tunnel testing was conducted at Mach 6 at unit Reynolds numbers from 2.1 × 10(exp 6)/ft to 8.3 × 10(exp 6)/ft and angles of attack from 0 deg to 18 deg. Boundary-layer transition onset and global surface heating distribution measurements were performed using phosphor thermography and flow field images were obtained through schlieren photography. Surface deflections were found to both promote early transition of the boundary layer and to augment heating levels for both laminar and turbulent flows. A complimentary computational flow field study was also performed to provide heating predictions for comparison with the measurements as well as boundary layer flow field properties for use in correlating the data. Correlations of the wind tunnel data were developed to predict deflection effects on boundary layer transition and surface heating and were applied to both the wind tunnel test conditions and to the trajectory of NASA's successful IRVE-3 flight test. In general, the correlations produced at least qualitative agreement with the wind tunnel data, although the heating levels were underpredicted for some of the larger surface deflections. For the flight conditions, the correlations suggested that peak heating levels on the leeward side conical flank of the IRVE-3 vehicle may have exceeded those at nose for times late in the trajectory after the peak heating time point. However, the flight estimates were based on a conservative assumption of surface deflection magnitude (i.e., larger) than likely was produced in flight.

  7. Plasma surface interaction studies in Japan

    International Nuclear Information System (INIS)

    Hino, T.; Hirohata, Y.; Yamashina, T.

    1994-01-01

    In order to achieve a long burning time period in a fusion reactor, the interactions between the plasma facing materials and the fusion plasma have to be well controlled. Namely, the radiation loss due to impurities and deterioration of the energy confinement time due to fuel particle recyclings have to be suppressed, in addition to the requirement of heat removal based on a high heat flux component. Recently, in Japan, the plasma facing material/component has been very actively developed for ITER and Large Helical Device (LHD). In this review paper, we briefly introduce the following issues, (1) progress of plasma surface interactions in tokamaks and helical devices, (2) development of plasma facing materials, (3) divertor development, (4) boronization, (5) selective pumping of helium ash, (6) tritium retention, and (7) neutron damage of graphite plasma facing material. (author)

  8. Systems Operations Studies for Automated Guideway Transit Systems : Discrete Event Simulation Model User's Manual.

    Science.gov (United States)

    1982-06-01

    In order to examine specific Automated Guideway Transit (AGT) developments and concepts, and to build a better knowledge base for future decision-making, the Urban Mass Transportation Administration (UMTA) undertook a new program of studies and techn...

  9. A Conceptual Framework for Studying the Safety of Transitions in Emergency Care

    National Research Council Canada - National Science Library

    Behara, Ravi; Wears, Robert L; Perry, Shawna J; Eisenberg, Eric; Murphy, Lexa; Vanderhoef, Mary; Shapiro, Marc; Beach, Christopher; Croskerry, Pat; Cosby, Karen

    2005-01-01

    .... We observed transitions of care in five hospital emergency departments as part of a larger study on safety in emergency care and found that in addition to many other differences in work patterns...

  10. DNS Studies of Transitional Hypersonic Reacting Flows Over 3-D Hypersonic Vehicles

    National Research Council Canada - National Science Library

    Zhong, Xiaolin

    2003-01-01

    The objectives of this research project are to develop CFD techniques and to conduct DNS studies of fundamental flow physics leading to boundary-layer instability and transition in hypersonic flows...

  11. NPS Transit System Passenger Boardings Study: Converting Ticket Sales to Passenger Boardings.

    Science.gov (United States)

    2016-01-01

    This report examines the reporting of passenger boardings (unlinked passenger trips) by NPS transit systems that use a ticket sales conversion methodology. By studying and validating the park units' passenger boarding methodology from converting tick...

  12. Reliability centered maintenance : a case study of railway transit maintenance to achieve optimal performance.

    Science.gov (United States)

    2010-12-01

    The purpose of this qualitative case study was to identify the types of obstacles and patterns experienced by a single heavy rail transit agency located in North America that embedded a Reliability Centered Maintenance (RCM) Process. The outcome of t...

  13. Assessing transition trajectories towards a sustainable energy system: A case study on the Dutch transition to climate-neutral transport fuel chains

    NARCIS (Netherlands)

    Suurs, R.A.A.; Hekkert, M.P.; Meeus, M.T.H.; Nieuwlaar, E.

    2004-01-01

    This paper proposes a method for the ex ante evaluation of technological trajectories. As a case we study the Dutch transport energy system and its transition to climate neutrality. Two technological trajectories are proposed: (i) a sequence of transition steps based on radical infrastructural

  14. Niobium thin film deposition studies on copper surfaces for superconducting radio frequency cavity applications

    Energy Technology Data Exchange (ETDEWEB)

    W. M. Roach, D. B. Beringer, J. R. Skuza, W. A. Oliver, C. Clavero, C. E. Reece, R. A. Lukaszew

    2012-06-01

    Thin film coatings have the potential to increase both the thermal efficiency and accelerating gradient in superconducting radio frequency accelerator cavities. However, before this potential can be realized, systematic studies on structure-property correlations in these thin films need to be carried out since the reduced geometry, combined with specific growth parameters, can modify the physical properties of the materials when compared to their bulk form. Here, we present our systematic studies of Nb thin films deposited onto Cu surfaces to clarify possible reasons for the limited success that this process exhibited in previous attempts. We compare these films with Nb grown on other surfaces. In particular, we study the crystal structure and surface morphology and their effect on superconducting properties, such as critical temperature and lower critical field. We found that higher deposition temperature leads to a sharper critical temperature transition, but also to increased roughness indicating that there are competing mechanisms that must be considered for further optimization.

  15. Niobium thin film deposition studies on copper surfaces for superconducting radio frequency cavity applications

    International Nuclear Information System (INIS)

    Roach, W.M.; Beringer, D.B.; Skuza, J.R.; Oliver, W.A.; Clavero, C.; Reece, C.E.; Lukaszew, R.A.

    2012-01-01

    Thin film coatings have the potential to increase both the thermal efficiency and accelerating gradient in superconducting radio frequency accelerator cavities. However, before this potential can be realized, systematic studies on structure-property correlations in these thin films need to be carried out since the reduced geometry, combined with specific growth parameters, can modify the physical properties of the materials when compared to their bulk form. Here, we present our systematic studies of Nb thin films deposited onto Cu surfaces to clarify possible reasons for the limited success that this process exhibited in previous attempts. We compare these films with Nb grown on other surfaces. In particular, we study the crystal structure and surface morphology and their effect on superconducting properties, such as critical temperature and lower critical field. We found that higher deposition temperature leads to a sharper critical temperature transition, but also to increased roughness indicating that there are competing mechanisms that must be considered for further optimization.

  16. Response of three instruments devoted to surface-area for monodisperse and polydisperse aerosols in molecular and transition regimes

    International Nuclear Information System (INIS)

    Bau, Sebastien; Witschger, Olivier; Gensdarmes, Francois; Thomas, Dominique

    2011-01-01

    An increasing number of experimental and theoretical studies focus on airborne nanoparticles (NP) in relation with many aspects of risk assessment. Indeed, our understanding of the hazards, the actual exposures in the workplace and the limits of engineering controls and personal protective equipment with regard to NP are still under development. Several studies have already identified surface-area as an important determinant of low solubility nanoparticles toxicity. As a consequence, the concept that surface-area could be a relevant metric for characterizing exposure to low solubility airborne NP has been proposed [1]. To provide NP surface-area concentration, some direct-reading instruments have been designed, based on diffusion charging. The actual available instruments providing airborne NP surface-area concentration are studied in this work: LQ1-DC (Matter Engineering), AeroTrak T M 9000 (TSI) and NSAM (TSI model 3550). Their performances regarding monodisperse carbon NP have been investigated by Bau et al.. This work aims at completing the instruments characterization regarding monodisperse NP of other chemical composition (aluminium, copper, silver) and studying their performances against polydisperse aerosols of NP.

  17. Kinetics and mechanisms of the oxide film growth on the surface of α-Fe in transitional domains

    International Nuclear Information System (INIS)

    Mukhambetov, D.G.; Berber, N.N.; Kargin, D.B.; Chalaya, O.V.

    2003-01-01

    The object of this work was to study the kinetics of the α-Fe surface oxidation with prevailing cubic texture at temperatures of 450-500 deg. C. The basic conformity to natural laws and mechanisms of the two-phase thin oxide films grows are determined. (author)

  18. Response of three instruments devoted to surface-area for monodisperse and polydisperse aerosols in molecular and transition regimes

    Energy Technology Data Exchange (ETDEWEB)

    Bau, Sebastien; Witschger, Olivier [Institut National de Recherche et de Securite (INRS), Laboratoire de Metrologie des Aerosols, Rue du Morvan, CS 60027, 54519 Vandoeuvre Cedex (France); Gensdarmes, Francois [Institut de Radioprotection et de Surete Nucleaire (IRSN), Laboratoire de Physique et de Metrologie des Aerosols, BP 68, 91192 Gif-sur-Yvette (France); Thomas, Dominique, E-mail: sebastien.bau@inrs.fr [Laboratoire Reactions et Genie des Procedes (LRGP), groupe SAFE, 1 rue Grandville, BP 20041, 54001 Nancy Cedex (France)

    2011-07-06

    An increasing number of experimental and theoretical studies focus on airborne nanoparticles (NP) in relation with many aspects of risk assessment. Indeed, our understanding of the hazards, the actual exposures in the workplace and the limits of engineering controls and personal protective equipment with regard to NP are still under development. Several studies have already identified surface-area as an important determinant of low solubility nanoparticles toxicity. As a consequence, the concept that surface-area could be a relevant metric for characterizing exposure to low solubility airborne NP has been proposed [1]. To provide NP surface-area concentration, some direct-reading instruments have been designed, based on diffusion charging. The actual available instruments providing airborne NP surface-area concentration are studied in this work: LQ1-DC (Matter Engineering), AeroTrak{sup TM} 9000 (TSI) and NSAM (TSI model 3550). Their performances regarding monodisperse carbon NP have been investigated by Bau et al.. This work aims at completing the instruments characterization regarding monodisperse NP of other chemical composition (aluminium, copper, silver) and studying their performances against polydisperse aerosols of NP.

  19. SFG and SPR Study of Sodium Dodecyl Sulfate Film Assembly on Positively Charged Surfaces

    Science.gov (United States)

    Song, Sanghun; Weidner, Tobias; Wagner, Matthew; Castner, David

    2012-02-01

    This study uses sum frequency generation (SFG) vibrational spectroscopy and surface plasmon resonance (SPR) sensing to investigate the structure of sodium dodecyl sulfate (SDS) films formed on positively charged and hydrophilic surfaces. The SPR signals show a good surface coverage suggesting that full monolayer coverage is reached at 1 mM. SFG spectra of SDS adsorbed exhibits well resolved CH3 peaks and OH peaks. At both 0.2 mM and 1 mM SDS concentration the intensity of both the CH3 and OH peaks decreased close to background levels. We found that the loss of SFG signal at 0.2 mM occurs at this concentration independent of surface charge density. It is more likely that the loss of signal is related to structural inhomogeneity induced by a striped phase - stand-up phase transition. This is supported by a distinct change of the relative SFG phase between CH3/OH near 0.2 mM. The second intensity minimum might be related to charge compensation effects. We observed a substrate dependence for the high concentration transition. We also observed distinct SFG signal phase changes for water molecules associated with SDS layers at different SDS solution concentrations indicating that the orientation of bound water changed with SDS surface structure.

  20. The study of structural phase transitions and static properties using transition metal model pseudopotential (TMMP) for Ca and Sr

    Energy Technology Data Exchange (ETDEWEB)

    Rakhecha, Shalu, E-mail: shalurakhecha@yahoo.com; Vyas, P. R.; Gohel, V. B. [Department of Physics, School of Sciences, Gujarat University, Ahmedabad - 380009, Gujarat (India); Bhatt, N. K. [Department of Physics, Sardar Patel University, Vallabh Vidyanagar - 388120, Gujarat (India)

    2016-05-06

    In the present communication, we have computed static and dynamic properties (binding energy-E, bulk modulus-B and second moment- <ω{sup 2}>) as well as first order pressure induced phase transition (FCC-BCC) using local form of pseudopotential for Calcium and Strontium. The form of pseudopotential used for the computation is directly extracted from Generalized Pseudopotential Theory (GPT) which contains three parameters (r{sub c}, r{sub d} and β). We have suggested a simple method using which pseudopotential is determined by single parameter (β). Our computed results for binding energy and bulk modulii are in excellent agreement with experimental findings and are better than other theoretical results. The present study confirms that s-d hybridization is accounted properly in the presently used pseudopotential and can be extended for the study of lattice mechanical properties of these metals.

  1. Study of mixed ternary transition metal ferrites as potential electrodes for supercapacitor applications

    Directory of Open Access Journals (Sweden)

    Bhamini Bhujun

    Full Text Available Nanocrystallites of three mixed ternary transition metal ferrite (MTTMF were prepared by a facile sol–gel method and adopted as electrode material for supercapacitors. The phase development of the samples was determined using Fourier transform infrared (FT-IR and thermal gravimetric analysis (TG. X-ray diffraction (XRD analysis revealed the formation of a single-phase spinel ferrite in CuCoFe2O4 (CuCoF, NiCoFe2O4 (NiCoF and NiCuFe2O4 (NiCuF. The surface characteristics and elemental composition of the nanocomposites have been studied by means of field emission scanning electron microscopy (FESEM, as well as energy dispersive spectroscopy (EDS. The electrochemical performance of the nanomaterials was evaluated using a two-electrode configuration by cyclic voltammetry, electrochemical impedance spectroscopy and galvanostatic technique in 1 M KOH electrolyte and was found to be in the order of: CuCoF > NiCoF > NiCuF. A maximum specific capacitance of 221 Fg−1 was obtained with CuCoF at a scan rate of 5 mV s−1. In addition to an excellent cycling stability, an energy density of 7.9 kW kg−1 was obtained at a current density of 1 Ag−1. The high electrochemical performance of the MTTMF nanocomposites obtained indicates that these materials are promising electrodes for supercapacitors. Keywords: Mixed ternary transition metal ferrite (MTTMF, Nanocomposites, Sol–gel, Cyclic voltammetry, Asymmetric supercapacitor

  2. [Study on transition metals in airborne particulate matter in Shanghai city's subway].

    Science.gov (United States)

    Bao, Liang-Man; Lei, Qian-Tao; Tan, Ming-Guang; Li, Xiao-Lin; Zhang, Gui-Lin; Liu, Wei; Li, Yan

    2014-06-01

    PM10 and PM2.5 aerosol particle samples were collected at a subway station in Shanghai and their morphology, chemical composition and transition metal species were studied. The mass concentrations of PM10 and PM2.5 inside the subway station were significantly higher than those measured in aboveground ambient air. The PM levels inside subway were much higher than the state control limit. The aerosol composition in the metro station was quite different from that of the aboveground urban particles. Concentrations of Fe, Mn and Cr were higher than the averages of aboveground urban air particles by factors of 8, 2, and 2, respectively, showing a substantial enrichment in subway. Scanning electron microscope (SEM) analysis showed that the subway particles had flat surfaces in combination with parallel scratches and sharp edges and looked like metal sheets or flakes. Furthermore, analysis of the atomic composition of typical subway particles by energy dispersive X-Ray (EDX) spectroscopy showed that oxygen and iron dominated the mass of the particles. The X-ray absorption near-edge structure (XANES) spectroscopy results showed that a fraction (> 26%) of the total iron in the PM10 was in the form of pure Fe, while in the street particles Fe(III) was shown to be a significant fraction of the total iron. The work demonstrated that the underground subway stations in Shanghai were an important microenvironment for exposure to transition metal aerosol for the people taking subway train for commuting every day and those who work in the subway stations, and the metal particle exposure for people in the subway station should not be ignored.

  3. Surface and interface strains studied by x-ray diffraction

    International Nuclear Information System (INIS)

    Akimoto, Koichi; Emoto, Takashi; Ichimiya, Ayahiko

    1998-01-01

    The authors have developed a technique of X-ray diffraction in order to measure strain fields near semiconductor surface and interface. The diffraction geometry is using the extremely asymmetric Bragg-case bulk reflection of a small incident angle to the surface and a large angle exiting from the surface. The incident angle of the X-rays is set near critical angle of total reflection by tuning X-ray energy of synchrotron radiation at the Photon Factory, Japan. For thermally grown-silicon oxide/Si(100) interface, the X-ray intensity of the silicon substrate 311 reflection has been measured. From comparison of the full width at half maxima (FWHM) of X-ray rocking curves of various thickness of silicon oxides, it has been revealed that silicon substrate lattice is highly strained in the thin (less than about 5 nm) silicon oxide/silicon system. In order to know the original silicon surface strain, the authors have also performed the same kind of measurements in the ultra-high vacuum chamber. A clean Si(111) 7x7 surface gives sharper X-ray diffraction peak than that of the native oxide/Si(111) system. From these measurements, it is concluded that the thin silicon oxide film itself gives strong strain fields to the silicon substrates, which may be the reason of the existence of the structural transition layer at the silicon oxide/Si interface

  4. Studies of high coverage oxidation of the Cu(100) surface using low energy positrons

    Science.gov (United States)

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

    2012-02-01

    The study of oxidation of single crystal metal surfaces is important in understanding the corrosive and catalytic processes associated with thin film metal oxides. The structures formed on oxidized transition metal surfaces vary from simple adlayers of chemisorbed oxygen to more complex structures which result from the diffusion of oxygen into subsurface regions. 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. Calculations are performed for various high coverage missing row structures ranging between 0.50 and 1.50 ML oxygen coverage. The results of calculations of positron binding energy, positron work function, and annihilation characteristics of surface trapped positrons with relevant core electrons as function of oxygen coverage are compared with experimental data obtained from studies of oxidation of the Cu(100) surface using positron annihilation induced Auger electron spectroscopy (PAES).

  5. Oxidation of clean silicon surfaces studied by four-point probe surface conductance measurements

    DEFF Research Database (Denmark)

    Petersen, Christian Leth; Grey, Francois; Aono, M.

    1997-01-01

    We have investigated how the conductance of Si(100)-(2 x 1) and Si(111)-(7 x 7) surfaces change during exposure to molecular oxygen. A monotonic decrease in conductance is seen as the (100) surfaces oxidizes. In contract to a prior study, we propose that this change is caused by a decrease in sur...

  6. Atomic structure of the SbCu surface alloy: A surface X-ray diffraction study

    DEFF Research Database (Denmark)

    Meunier, I.; Gay, J.M.; Lapena, L.

    1999-01-01

    The dissolution at 400 degrees C of an antimony layer deposited at room temperature on a Cu(111) substrate leads to a surface alloy with a p(root 3x root 3)R 30 degrees x 30 degrees superstructure and a Sb composition of 1/3.We present here a structural study of this Sb-Cu compound by surface X...

  7. Neutron and x-ray scattering studies of ferroelectric phase transitions

    International Nuclear Information System (INIS)

    Dolling, G.

    1982-08-01

    The subject of ferroelectric type phase transitions is introduced by means of examples of two main classes (a) displacive transitions, e.g. KNbO 3 , and (b) order-disorder transitions, e.g. NaNO 2 . The significance of crystal structure and crystal dynamics (i.e. the phonon dispersion relations) for ferroelectric behaviour is emphasized. The chief methods for structure determination are x-ray and neutron diffraction, while the most powerful of all techniques for studying phonon properties is that of coherent inelastic neutron scattering. The most useful type of neutron spectrometer for phase transition studies, the triple axis crystal spectrometer, is discussed in detail. The history of the soft mode theory of displacive phase transitions, and its application to the antiferroelectric and 'almost ferroelectric' transitions in SrTiO 3 , provides an introduction to more recent developments in this area, including over-damped soft modes, central peaks and critical scattering, incommensurate phase transitions (e.g. K 2 SeO 4 ), amplitudons, phasons and finally solitions. The treatment throughout is descriptive and introductory, designed for graduate students

  8. Correlation between catalytic activity and bonding and coordination number of atoms and molecules on transition metal surfaces: theory and experimental evidence

    International Nuclear Information System (INIS)

    Falicov, L.M.; Somorjai, G.A.

    1985-01-01

    Correlation between catalytic activity and low-energy local electronic fluctuation in transition metals is proposed. A theory and calculations are presented which indicate that maximum electronic fluctuants take place at high-coordination metal sites. Either (i) atomically rough surfaces that expose to the reactant molecules atoms with large numbers of nonmagnetic or weakly magnetic neighbors in the first or second layer at the surface or (ii) stepped and kinked surfaces are the most active in carrying out structure-sensitive catalytic reactions. The synthesis of ammonia from N 2 and H 2 over iron and rhenium surfaces, 1 H 2 / 2 H 2 exchange over stepped platinum crystal surfaces at low pressures, and the hydrogenolysis (C - C bond breaking) of isobutane at kinked platinum crystal surfaces are presented as experimental evidence in support of the theory

  9. X-ray Photon Correlation Spectroscopy Study on Dynamics of the Free Surface in Entangled Polystyrene Melt Films

    International Nuclear Information System (INIS)

    Koga, Tadanori; Li Chunhua; Endoh, Maya K; Narayanan, Suresh; Lurio, Laurence; Sinha, Sunil K

    2011-01-01

    The dynamics of polymer chains near the surface of a melt and within thin films remains a subject of inquiry along with the nature of the glass transition in these systems. Recent studies show that the properties of the free surface region are crucial in determining the anomalous glass transition temperature (T g ) reduction of polymer thin films. In this study, by embedding 'dilute' gold nanoparticles in polystyrene (PS) thin films as 'markers', we could successfully probe the diffusive Brownian motion which tracks the local viscosity both at the free surface and within the rest of the single PS thin film far above bulk T g . The technique used was X-ray photon correlation spectroscopy with resonance-enhanced X-rays that allows us to independently measure the motion in the regions of interest at the nanometer scale. We found the presence of the surface reduced viscosity layer in entangled PS thin films at T>>T g .

  10. Non-Conventional Techniques for the Study of Phase Transitions in NiTi-Based Alloys

    Science.gov (United States)

    Nespoli, Adelaide; Villa, Elena; Passaretti, Francesca; Albertini, Franca; Cabassi, Riccardo; Pasquale, Massimo; Sasso, Carlo Paolo; Coïsson, Marco

    2014-07-01

    Differential scanning calorimetry and electrical resistance measurements are the two most common techniques for the study of the phase transition path and temperatures of shape memory alloys (SMA) in stress-free condition. Besides, it is well known that internal friction measurements are also useful for this purpose. There are indeed some further techniques which are seldom used for the basic characterization of SMA transition: dilatometric analysis, magnetic measurements, and Seebeck coefficient study. In this work, we discuss the attitude of these techniques for the study of NiTi-based phase transition. Measurements were conducted on several fully annealed Ni50- x Ti50Cu x samples ranging from 3 to 10 at.% in Cu content, fully annealed at 850 °C for 1 h in vacuum and quenched in water at room temperature. Results show that all these techniques are sensitive to phase transition, and they provide significant information about the existence of intermediate phases.

  11. Work organization, health, and obesity in urban transit operators: A qualitative study.

    Science.gov (United States)

    Dobson, Marnie; Choi, BongKyoo; Schnall, Peter L

    2017-11-01

    Urban transit operators have high rates of obesity, hypertension, and other cardiovascular risk-factors compared to other occupations. There have been few qualitative studies exploring the interrelationships between the organization of transit work, stress, and health including obesity, from the perspective of operators. Five focus groups were conducted at five Divisions in a transit authority in Southern California and included 65 bus and rail operators. Operators reported a great deal of stress related to their work, including 1) time pressures and lack of recovery time; 2) long work shifts and overtime; 3) feeling unsafe when dealing with the public; 4) lack of respect from supervisors and management. Operators believed stressful working conditions negatively impacted their health and weight. This qualitative study yielded new as well as confirmatory data about stress and transit work organization, health, and weight in operators. This study will add to future survey research and interventions in this population. © 2017 Wiley Periodicals, Inc.

  12. Stereophotogrammetric study of surface topography in ion irradiated silver

    International Nuclear Information System (INIS)

    Sokolov, V.N.; Fayazov, I.M.

    1993-01-01

    The irradiated surface topography of polycrystalline silver was studied using the stereophotogrammetric method. The surface of silver was irradiated with 30 keV argon ions at variation for the ion incidence angle in interval of 0-80 deg relative to a surface normal. The influence of the inclination angle of the sample in the SEM on the cone shape of a SEM-picture of the irradiated surface is discussed. The parameters of cones on the irradiated surface of silver were measured by the SEM-stereomethod. The measurements of the sample section perpendicular to the incidence plane are also carried out

  13. Charge-regulation phase transition on surface lattices of titratable sites adjacent to electrolyte solutions: An analog of the Ising antiferromagnet in a magnetic field

    Science.gov (United States)

    Shore, Joel D.; Thurston, George M.

    2018-01-01

    We report a charge-patterning phase transition on two-dimensional square lattices of titratable sites, here regarded as protonation sites, placed in a low-dielectric medium just below the planar interface between this medium and a salt solution. We calculate the work-of-charging matrix of the lattice with use of a linear Debye-Hückel model, as input to a grand-canonical partition function for the distribution of occupancy patterns. For a large range of parameter values, this model exhibits an approximate inverse cubic power-law decrease of the voltage produced by an individual charge, as a function of its in-lattice separation from neighboring titratable sites. Thus, the charge coupling voltage biases the local probabilities of proton binding as a function of the occupancy of sites for many neighbors beyond the nearest ones. We find that even in the presence of these longer-range interactions, the site couplings give rise to a phase transition in which the site occupancies exhibit an alternating, checkerboard pattern that is an analog of antiferromagnetic ordering. The overall strength W of this canonical charge coupling voltage, per unit charge, is a function of the Debye length, the charge depth, the Bjerrum length, and the dielectric coefficients of the medium and the solvent. The alternating occupancy transition occurs above a curve of thermodynamic critical points in the (pH-pK,W) plane, the curve representing a charge-regulation analog of variation of the Néel temperature of an Ising antiferromagnet as a function of an applied, uniform magnetic field. The analog of a uniform magnetic field in the antiferromagnet problem is a combination of pH-pK and W, and 1/W is the analog of the temperature in the antiferromagnet problem. We use Monte Carlo simulations to study the occupancy patterns of the titratable sites, including interactions out to the 37th nearest-neighbor category (a distance of 74 lattice constants), first validating simulations through

  14. In situ diffraction studies of electrode surface structure during gold electrodeposition

    International Nuclear Information System (INIS)

    Magnussen, O.M.; Krug, K.; Ayyad, A.H.; Stettner, J.

    2008-01-01

    Surface X-ray scattering (SXS) in transmission geometry provides a valuable tool for in situ structural studies of electrochemical interfaces under reaction conditions, as illustrated here for homoepitaxial electrodeposition on Au(1 0 0) and Au(1 1 1) electrodes. Employing diffusion-limited deposition conditions to separate the effects of potential and deposition rate, a mutual interaction between the interface structure and the growth behavior is found. Time-dependent SXS measurements during Au(1 0 0) homoepitaxy show with decreasing potential transitions from step flow to layer-by-layer growth, then to multilayer growth, and finally back to layer-by-layer growth. This complex growth behavior can be explained within the framework of kinetic growth theory by the effect of potential, Cl adsorbates and the Au surface structure, specifically the presence of the surface reconstruction, on the Au surface mobility. Conversely, the electrodeposition process influences the structure of the reconstructed Au surface, as illustrated for Au(1 1 1), where a significant deposition-induced compression of the Au surface layer as compared to Au(1 1 1) surfaces under ultrahigh vacuum conditions or in Au-free electrolyte is found. This compression increases towards more negative potentials, which may be explained by a release of potential-induced surface stress

  15. Surface study of fusion research in universities linkage organization

    International Nuclear Information System (INIS)

    Miyahara, Akira.

    1980-04-01

    The surface studies for nuclear fusion research consist of the studies on the surface process and the surface damage. The problems with the surface study are different at different research stages. The plasma-wall interaction in the ignition stage is mainly concerned with heating. The impurity control becomes important in the breakeven stage. In the longer burn experiment, the problems of plasma contamination and ash accumulation are serious, and the blistering is also a problem. From the reactor aspect, the reduction of life of wall due to the irradiation of high fluence must be considered. The surface damage due to plasma disruption is a very big problem. The activities concerning the surface studies in university-linked organizations are the surface characterization for fusion reactor materials by low energy ion scattering spectroscopy, the high power ion irradiation test for CTR first wall, data compilation on plasma-wall interaction, the studies of sputtering process and surface coating, and the study on hydrogen isotope permeation through metals for fusion reactors. Other activities such as the sample characterization at many universities using the SUS 304 samples from the same lot, and the collaboration works on JIPP-T-2 plasma wall experiments are introduced. Concerning the surface study, US-Japan or international collaboration are strongly expected. (Kato, T.)

  16. Study of coupled-cluster correlations on electromagnetic transitions and hyperfine structure constants of W VI

    International Nuclear Information System (INIS)

    Bhowmik, Anal; Majumder, Sonjoy; Roy, Sourav; Dutta, Narendra Nath

    2017-01-01

    This work presents precise calculations of important electromagnetic transition amplitudes along with details of their many-body correlations using the relativistic coupled-cluster method. Studies of hyperfine interaction constants, useful for plasma diagnostics, with this correlation exhaustive many-body approach, are another important area of this work. The calculated oscillator strengths of allowed transitions, amplitudes of forbidden transitions and lifetimes are compared with the other theoretical results wherever available and they show a good agreement. Hyperfine constants of different isotopes of W VI, presented in this paper, will be helpful in gaining an accurate picture of the abundances of this element in different astronomical bodies. (paper)

  17. Synchrotron radiation topography studies of the phase transition in LaGaO3 crystals

    International Nuclear Information System (INIS)

    Yao, G.D.; Dudley, M.; Wang, Y.; Liu, X.; Liebermann, R.C.

    1991-01-01

    An investigation of the orthorhombic to rhombohedral phase transformation occurring at 145degC in lanthanum gallate has been conducted using white beam synchrotron X-ray topography (WBSXRT). The existence of the first order transition was confirmed by differential thermal analysis and X-ray diffractometer powder analysis. Subsequent to this, synchrotron white beam Laue patterns were recorded in situ as a function of temperature, during the transition. Before the transition point was reached, (112) orth type reflection twinning was found to be dominant although a small amount of (110) orth type twinning was also observed in the same crystal. Beyond the transition point, not only did the structural change become evident but also reflection twinning on the (110) rhom planes was observed. The scale of this twinning became finer as the temperature was increased beyond the transition temperature. The twinning observed in both the low and high temperature phases gives rise to deformation of the (011) rhom surface plane which creates problems for the potential use of this material as a substrate for growing high Tc superconducting epitaxial layers. (orig.)

  18. Synchrotron radiation topography studies of the phase transition in LaGaO sub 3 crystals

    Energy Technology Data Exchange (ETDEWEB)

    Yao, G.D.; Dudley, M. (Dept. of Materials Science and Engineering, SUNY at Stony Brook, NY (USA)); Wang, Y.; Liu, X.; Liebermann, R.C. (Dept. of Earth and Space Sciences, SUNY at Stony Brook, NY (USA))

    1991-05-01

    An investigation of the orthorhombic to rhombohedral phase transformation occurring at 145degC in lanthanum gallate has been conducted using white beam synchrotron X-ray topography (WBSXRT). The existence of the first order transition was confirmed by differential thermal analysis and X-ray diffractometer powder analysis. Subsequent to this, synchrotron white beam Laue patterns were recorded in situ as a function of temperature, during the transition. Before the transition point was reached, (112){sub orth} type reflection twinning was found to be dominant although a small amount of (110){sub orth} type twinning was also observed in the same crystal. Beyond the transition point, not only did the structural change become evident but also reflection twinning on the (110){sub rhom} planes was observed. The scale of this twinning became finer as the temperature was increased beyond the transition temperature. The twinning observed in both the low and high temperature phases gives rise to deformation of the (011){sub rhom} surface plane which creates problems for the potential use of this material as a substrate for growing high Tc superconducting epitaxial layers. (orig.).

  19. Synchrotron radiation topography studies of the phase transition in LaGaO 3 crystals

    Science.gov (United States)

    Yao, G.-D.; Dudley, M.; Wang, Y.; Liu, X.; Liebermann, R. C.

    1991-05-01

    An investigation of the orthorhombic to rhombohedral phase transformation occurring at 145°C in lanthanum gallate has been conducted using white beam synchrotron X-ray topography (WBSXRT). The existence of the first order transition was confirmed by differential thermal analysis and X-ray diffractometer powder analysis. Subsequent to this, synchrotron white beam Laue patterns were recorded in situ as a function of temperature, during the transition. Before the transition point was reached, (112) orth type reflection twinning was found to be dominant although a small amount of (110) orth type twinning was also observed in the same crystal. Beyond the transition point, not only did the structural change become evident but also reflection twinning on the (110) rhom planes was observed. The scale of this twinning became finer as the temperature was increased beyond the transition temperature. The twinning observed in both the low and high temperature phases gives rise to deformation of the (011) rhom surface plane which creates problems for the potential use of this material as a substrate for growing high Tc superconducting epitaxial layers.

  20. DFT studies of hydrocarbon combustion on metal surfaces.

    Science.gov (United States)

    Arya, Mina; Mirzaei, Ali Akbar; Davarpanah, Abdol Mahmood; Barakati, Seyed Masoud; Atashi, Hossein; Mohsenzadeh, Abas; Bolton, Kim

    2018-02-02

    Catalytic combustion of hydrocarbons is an important technology to produce energy. Compared to conventional flame combustion, the catalyst enables this process to operate at lower temperatures; hence, reducing the energy required for efficient combustion. The reaction and activation energies of direct combustion of hydrocarbons (CH → C + H) on a series of metal surfaces were investigated using density functional theory (DFT). The data obtained for the Ag, Au, Al, Cu, Rh, Pt, and Pd surfaces were used to investigate the validity of the Brønsted-Evans-Polanyi (BEP) and transition state scaling (TSS) relations for this reaction on these surfaces. These relations were found to be valid (R 2  = 0.94 for the BEP correlation and R 2  = 1.0 for the TSS correlation) and were therefore used to estimate the energetics of the combustion reaction on Ni, Co, and Fe surfaces. It was found that the estimated transition state and activation energies (E TS  = -69.70 eV and E a  = 1.20 eV for Ni, E TS  = -87.93 eV and E a  = 1.08 eV for Co and E TS  = -92.45 eV and E a  = 0.83 eV for Fe) are in agreement with those obtained by DFT calculations (E TS  = -69.98 eV and E a  = 1.23 eV for Ni, E TS  = -87.88 eV and E a  = 1.08 eV for Co and E TS  = -92.57 eV and E a  = 0.79 eV for Fe). Therefore, these relations can be used to predict energetics of this reaction on these surfaces without doing the time consuming transition state calculations. Also, the calculations show that the activation barrier for CH dissociation decreases in the order Ag ˃ Au ˃ Al ˃ Cu ˃ Pt ˃ Pd ˃ Ni > Co > Rh > Fe.

  1. X-ray Absorption Study of Graphene Oxide and Transition Metal Oxide Nanocomposites

    OpenAIRE

    Gandhiraman, Ram P.; Nordlund, Dennis; Javier, Cristina; Koehne, Jessica E.; Chen, Bin; Meyyappan, M.

    2014-01-01

    The surface properties of the electrode materials play a crucial role in determining the performance and efficiency of energy storage devices. Graphene oxide and nanostructures of 3d transition metal oxides were synthesized for construction of electrodes in supercapacitors, and the electronic structure and oxidation states were probed using near-edge X-ray absorption fine structure. Understanding the chemistry of graphene oxide would provide valuable insight into its reactivity and properties...

  2. Theoretical study of B3-to-B1 phase transition in ZnS

    International Nuclear Information System (INIS)

    Li, Qiang; Zhang, Rui; Lv, Tianquan; Cao, Qilong

    2016-01-01

    The pressure-induced phase transformation from B3 to B1 structures in ZnS using first-principle projector-augmented wave method is studied. To understand the nature and driving force behind the transition, the interesting properties in both phases, including enthalpy, phonon dispersion curves and elastic constants, are systematically investigated. The results show that the calculated transition pressure is within the range of 16.33 GPa to 19.04 GPa, which is in good agreement with the available experimental and theoretical data. The transition process can be viewed as the appearance and disappearance of very slight lattice distortion accompanied by the movement of Zn and S atoms along the [111] crystallographic axis. The physical driving force of the B3–B1 phase transition is confirmed to be a coupling effect between the mechanical instability of B3 phase under pressure and the softening acoustic phonon mode resulting from the pressure-induced lattice deformation. For B1 phase, it is further predicted that a new phase transition takes place at about 59.9 GPa. - Highlights: • The phase transformation from B3 to B1 structures in ZnS is studied using first-principle method. • The predicted transition pressure is within the range of 16.33 to 19.04 GPa. • The transition process can be viewed as the appearance and disappearance of very slight lattice distortion. • Physical driving force of the transition is a coupling effect between the mechanical instability and softening phonon. • For B1 phase, it is further predicted that a new phase transition takes place at about 59.9 GPa.

  3. Optimizing Bus Frequencies under Uncertain Demand: Case Study of the Transit Network in a Developing City

    Directory of Open Access Journals (Sweden)

    Zhengfeng Huang

    2013-01-01

    Full Text Available Various factors can make predicting bus passenger demand uncertain. In this study, a bilevel programming model for optimizing bus frequencies based on uncertain bus passenger demand is formulated. There are two terms constituting the upper-level objective. The first is transit network cost, consisting of the passengers’ expected travel time and operating costs, and the second is transit network robustness performance, indicated by the variance in passenger travel time. The second term reflects the risk aversion of decision maker, and it can make the most uncertain demand be met by the bus operation with the optimal transit frequency. With transit link’s proportional flow eigenvalues (mean and covariance obtained from the lower-level model, the upper-level objective is formulated by the analytical method. In the lower-level model, the above two eigenvalues are calculated by analyzing the propagation of mean transit trips and their variation in the optimal strategy transit assignment process. The genetic algorithm (GA used to solve the model is tested in an example network. Finally, the model is applied to determining optimal bus frequencies in the city of Liupanshui, China. The total cost of the transit system in Liupanshui can be reduced by about 6% via this method.

  4. Magnetic transition phase diagram of cobalt clusters electrodeposited on HOPG: Experimental and micromagnetic modelling study

    Energy Technology Data Exchange (ETDEWEB)

    Rivera, M., E-mail: mrivera@fisica.unam.m [Imperial College London, Department of Chemistry, South Kensington Campus, London SW7 2AZ (United Kingdom); Rios-Reyes, C.H. [Universidad Autonoma Metropolitana-Azcapotzalco, Departamento de Materiales, Av. San Pablo 180, Col. Reynosa Tamaulipas, C.P. 02200, Mexico D.F. (Mexico); Universidad Autonoma del Estado de Hidalgo, Centro de Investigaciones Quimicas, Mineral de la Reforma, Hidalgo, C.P. 42181 (Mexico); Mendoza-Huizar, L.H. [Universidad Autonoma del Estado de Hidalgo, Centro de Investigaciones Quimicas, Mineral de la Reforma, Hidalgo, C.P. 42181 (Mexico)

    2011-04-15

    The magnetic transition from mono- to multidomain magnetic states of cobalt clusters electrodeposited on highly oriented pyrolytic graphite electrodes was studied experimentally using Magnetic Force Microscopy. From these images, it was found that the critical size of the magnetic transition is dominated by the height rather than the diameter of the aggregate. This experimental behavior was found to be consistent with a theoretical single-domain ferromagnetic model that states that a critical height limits the monodomain state. By analyzing the clusters magnetic states as a function of their dimensions, magnetic exchange constant and anisotropy value were obtained and used to calculate other magnetic properties such as the exchange length, magnetic wall thickness, etc. Finally, a micromagnetic simulation study correctly predicted the experimental magnetic transition phase diagram. - Research highlights: > Electrodeposition of cobalt clusters. > Mono to multidomain magnetic transition. > Magnetic phase diagram.

  5. Magnetic transition phase diagram of cobalt clusters electrodeposited on HOPG: Experimental and micromagnetic modelling study

    International Nuclear Information System (INIS)

    Rivera, M.; Rios-Reyes, C.H.; Mendoza-Huizar, L.H.

    2011-01-01

    The magnetic transition from mono- to multidomain magnetic states of cobalt clusters electrodeposited on highly oriented pyrolytic graphite electrodes was studied experimentally using Magnetic Force Microscopy. From these images, it was found that the critical size of the magnetic transition is dominated by the height rather than the diameter of the aggregate. This experimental behavior was found to be consistent with a theoretical single-domain ferromagnetic model that states that a critical height limits the monodomain state. By analyzing the clusters magnetic states as a function of their dimensions, magnetic exchange constant and anisotropy value were obtained and used to calculate other magnetic properties such as the exchange length, magnetic wall thickness, etc. Finally, a micromagnetic simulation study correctly predicted the experimental magnetic transition phase diagram. - Research highlights: → Electrodeposition of cobalt clusters. →Mono to multidomain magnetic transition. → Magnetic phase diagram.

  6. 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.

  7. 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

  8. Overview of the Ozone Water-Land Environmental Transition Study: Summary of Observations and Initial Results

    Science.gov (United States)

    Berkoff, T.; Sullivan, J.; Pippin, M. R.; Gronoff, G.; Knepp, T. N.; Twigg, L.; Schroeder, J.; Carrion, W.; Farris, B.; Kowalewski, M. G.; Nino, L.; Gargulinski, E.; Rodio, L.; Sanchez, P.; Desorae Davis, A. A.; Janz, S. J.; Judd, L.; Pusede, S.; Wolfe, G. M.; Stauffer, R. M.; Munyan, J.; Flynn, J.; Moore, B.; Dreessen, J.; Salkovitz, D.; Stumpf, K.; King, B.; Hanisco, T. F.; Brandt, J.; Blake, D. R.; Abuhassan, N.; Cede, A.; Tzortziou, M.; Demoz, B.; Tsay, S. C.; Swap, R.; Holben, B. N.; Szykman, J.; McGee, T. J.; Neilan, J.; Allen, D.

    2017-12-01

    The monitoring of ozone (O3) in the troposphere is of pronounced interest due to its known toxicity and health hazard as a photo-chemically generated pollutant. One of the major difficulties for the air quality modeling, forecasting and satellite communities is the validation of O3 levels in sharp transition regions, as well as near-surface vertical gradients. Land-water gradients of O3 near coastal regions can be large due to differences in surface deposition, boundary layer height, and cloud coverage. Observations in horizontal and vertical directions over the Chesapeake Bay are needed to better understand O3 formation and redistribution within regional recirculation patterns. The O3 Water-Land Environmental Transition Study (OWLETS) was a field campaign conducted in the summer 2017 in the VA Tidewater region to better characterize O3 across the coastal boundary. To obtain over-water measurements, the NASA Langley Ozone Lidar as well as supplemental measurements from other sensors (e.g. Pandora, AERONET) were deployed on the Chesapeake Bay Bridge Tunnel (CBBT) 7-8 miles offshore. These observations were complimented by NASA Goddard's Tropospheric Ozone Lidar along with ground-based measurements over-land at the NASA Langley Research Center (LaRC) in Hampton, VA. On measurement days, time-synchronized data were collected, including launches of ozonesondes from CBBT and LaRC sites that provided additional O3, wind, and temperature vertical distribution differences between land and water. These measurements were complimented with: in-situ O3 sensors on two mobile cars, a micro-pulse lidar at Hampton University, an in-situ O3 sensor on a small UAV-drone, and Virginia DEQ air-quality sites. Two aircraft and a research vessel also contributed to OWLETS at various points during the campaign: the NASA UC-12B with the GeoTASO passive remote sensor, the NASA C-23 with an in-situ chemistry analysis suite, and a SERC research vessel with both remote and in-situ sensors. This

  9. Glass transition temperature of PMMA/modified alumina nanocomposite: Molecular dynamic study

    OpenAIRE

    Mohammadi, Maryam; Davoodi, Jamal; Javanbakht, Mahdi; Rezaei, Hamidreza

    2017-01-01

    In this study, the effect of alumina and modified alumina nanoparticles in a PMMA/alumina nanocomposite was investigated. To attain this goal, the glass transition behavior of poly methyl methacrylate (PMMA), PMMA/alumina and PMMA/hydroxylated alumina nanocomposites were investigated by molecular dynamic simulations (MD). All the MD simulations were performed using the Materials Studio 6.0 software package of Accelrys. To obtain the glass transition temperature, the variation of density vs. t...

  10. Assembly of Collagen Matrices as a Phase Transition Revealed by Structural and Rheologic Studies

    OpenAIRE

    Forgacs, Gabor; Newman, Stuart A.; Hinner, Bernhard; Maier, Christian W.; Sackmann, Erich

    2003-01-01

    We have studied the structural and viscoelastic properties of assembling networks of the extracellular matrix protein type-I collagen by means of phase contrast microscopy and rotating disk rheometry. The initial stage of the assembly is a nucleation process of collagen monomers associating to randomly distributed branched clusters with extensions of several microns. Eventually a sol-gel transition takes place, which is due to the interconnection of these clusters. We analyzed this transition...

  11. A study of the transition pathways of school level scholarship ...

    African Journals Online (AJOL)

    Hennie

    intervention. The benefits reported included a sound preparation for life and academic studies, and other benefits that the .... fied (on average) in this study as stress inducing. Adding further ...... Cambridge, MA: Harvard Education Press.

  12. Magnetic phase transitions in Er7Rh3 studied on single crystals

    International Nuclear Information System (INIS)

    Tsutaoka, Takanori; Obata, Keisuke; Cheyvuth, Seng; Koyama, Keiichi

    2014-01-01

    Highlights: • Magnetic and electrical properties of Er 7 Rh 3 were studied on single crystals. • The magnetic phase diagram along the c-axis was constructed. • The field-induced magnetic transitions in Er 7 Rh 3 can be explained by the magnetic structure with two magnetic propagation vectors. • The anomalies of electrical resistivity can also be described by the magnetic structure in Er 7 Rh 3 . - Abstract: Magnetic phase transitions in Er 7 Rh 3 with the Th 7 Fe 3 type hexagonal structure have been studied on single crystals by measuring magnetization, magnetic susceptibility and electrical resistivity. Er 7 Rh 3 possesses antiferromagnetic state below T N = 13 K. In the ordered state, the two successive magnetic transitions at T t1 = 6.2 K and T t2 = 4.5 K were observed. Several field-induced magnetic transitions were also observed along the a- and c-axes below T N ; magnetic field H – temperature T phase diagram along the c-axis was constructed. The field-induced magnetic transitions in Er 7 Rh 3 can be explained by the magnetic structure with two magnetic propagation vectors which were derived by the previous neutron diffraction studies. Electrical resistivity shows humps just below the magnetic transition temperatures, T N and T t1 due to the super-zone gap formation at the Fermi level; these anomalies can also be described by the magnetic structure changes in Er 7 Rh 3

  13. Fermi surfaces, spin-mixing parameter, and colossal anisotropy of spin relaxation in transition metals from ab initio theory

    Science.gov (United States)

    Zimmermann, Bernd; Mavropoulos, Phivos; Long, Nguyen H.; Gerhorst, Christian-Roman; Blügel, Stefan; Mokrousov, Yuriy

    2016-04-01

    The Fermi surfaces and Elliott-Yafet spin-mixing parameter (EYP) of several elemental metals are studied by ab initio calculations. We focus first on the anisotropy of the EYP as a function of the direction of the spin-quantization axis [B. Zimmermann et al., Phys. Rev. Lett. 109, 236603 (2012), 10.1103/PhysRevLett.109.236603]. We analyze in detail the origin of the gigantic anisotropy in 5 d hcp metals as compared to 5 d cubic metals by band structure calculations and discuss the stability of our results against an applied magnetic field. We further present calculations of light (4 d and 3 d ) hcp crystals, where we find a huge increase of the EYP anisotropy, reaching colossal values as large as 6000 % in hcp Ti. We attribute these findings to the reduced strength of spin-orbit coupling, which promotes the anisotropic spin-flip hot loops at the Fermi surface. In order to conduct these investigations, we developed an adapted tetrahedron-based method for the precise calculation of Fermi surfaces of complicated shape and accurate Fermi-surface integrals within the full-potential relativistic Korringa-Kohn-Rostoker Green function method.

  14. A SPITZER IRS STUDY OF INFRARED VARIABILITY IN TRANSITIONAL AND PRE-TRANSITIONAL DISKS AROUND T TAURI STARS

    International Nuclear Information System (INIS)

    Espaillat, C.; Furlan, E.; D'Alessio, P.; Sargent, B.; Muzerolle, J.; Nagel, E.; Calvet, N.; Watson, Dan M.

    2011-01-01

    We present a Spitzer IRS study of variability in 14 T Tauri stars in the Taurus and Chamaeleon star-forming regions. The sample is composed of transitional and pre-transitional objects which contain holes and gaps in their disks. We detect variability between 5 and 38 μm in all but two of our objects on timescales of 2-3 years. Most of the variability observed can be classified as seesaw behavior, whereby the emission at shorter wavelengths varies inversely with the emission at longer wavelengths. For many of the objects we can reasonably reproduce the observed variability using irradiated disk models, particularly by changing the height of the inner disk wall by ∼20%. When the inner wall is taller, the emission at the shorter wavelengths is higher since the inner wall dominates the emission at 2-8 μm. The taller inner wall casts a larger shadow on the outer disk wall, leading to less emission at wavelengths beyond 20 μm where the outer wall dominates. We discuss how the possible presence of planets in these disks could lead to warps that cause changes in the height of the inner wall. We also find that crystalline silicates are common in the outer disks of our objects and that in the four disks in the sample with the most crystalline silicates, variability on timescales of 1 week is present. In addition to explaining the infrared variability described above, planets can create shocks and collisions which can crystallize the dust and lead to short timescale variability.

  15. Surface studies with high-energy ion beams

    Energy Technology Data Exchange (ETDEWEB)

    Stensgaard, Ivan [Aarhus Univ. (Denmark). Inst. of Physics

    1992-07-01

    High-energy ion scattering is an extremely useful technique for surface studies. Three methods for surface composition analysis (Rutherford backscattering, nuclear-reaction analysis and elastic recoil detection) are discussed. Directional effects in ion-beam surface interactions (shadowing and blocking) form the basis for surface structure analysis with high-energy ion beams and these phenomena are addressed in some detail. It is shown how surface relaxation and reconstruction, as well as positions of adsorbed atoms, can be determined by comparison with computer simulations. A special technique called transmission channelling is introduced and shown to be particularly well suited for studies of adsorption positions, even of hydrogen. Recent developments in the field are demonstrated by discussing a large number of important (experimental) applications which also include surface dynamics and melting, as well as epitaxy and interface structure. (author).

  16. Electrochemical, surface analytical and quantum chemical studies ...

    Indian Academy of Sciences (India)

    subject of numerous studies due to their high technological value and wide range .... Mulliken population analysis of atoms in triazole derivatives, depending on the ... 2102–0003) with an accelerating voltage of 20 kV, at a scan speed=slow 5 and ... the corrosion rate can also be determined by Tafel extra- polation of either ...

  17. Study on Surface Permeability of Concrete under Immersion

    OpenAIRE

    Liu, Jun; Xing, Feng; Dong, Biqin; Ma, Hongyan; Pan, Dong

    2014-01-01

    In this paper, concrete specimens are immersed in ultrapure water, to study the evolutions of surface permeability, pore structure and paste microstructure following the prolonging of immersion period. According to the results, after 30-day immersion, the surface permeability of concrete becomes higher as compared with the value before immersion. However, further immersion makes the surface permeability decrease, so that the value measured after 150-day immersion is only half that measured af...

  18. Adsorption of branched and dendritic polymers onto flat surfaces: A Monte Carlo study

    Science.gov (United States)

    Sommer, J.-U.; Kłos, J. S.; Mironova, O. N.

    2013-12-01

    Using Monte Carlo simulations based on the bond fluctuation model we study the adsorption of starburst dendrimers with flexible spacers onto a flat surface. The calculations are performed for various generation number G and spacer length S in a wide range of the reduced temperature τ as the measure of the interaction strength between the monomers and the surface. Our simulations indicate a two-step adsorption scenario. Below the critical point of adsorption, τc, a weakly adsorbed state of the dendrimer is found. Here, the dendrimer retains its shape but sticks to the surface by adsorbed spacers. By lowering the temperature below a spacer-length dependent value, τ*(S) model of a dendrimer in two dimensions. We also performed simulations of star-polymers which display a simple crossover-behavior in full analogy to linear chains. By analyzing the order parameter of the adsorption transition, we determine the critical point of adsorption of the dendrimers which is located close to the critical point of adsorption for star-polymers. While the order parameter for the adsorbed spacers displays a critical crossover scaling, the overall order parameter, which combines both critical and discontinuous transition effects, does not display simple scaling. The step-like transition from the weak into the strong adsorbed regime is confirmed by analyzing the shape-anisotropy of the dendrimers. We present a mean-field model based on the concept of spacer adsorption which predicts a discontinuous transition of dendrimers due to an excluded volume barrier. The latter results from an increased density of the dendrimer in the flatly adsorbed state which has to be overcome before this state is thermodynamically stable.

  19. Spin glass transition in canonical AuFe alloys: A numerical study

    International Nuclear Information System (INIS)

    Zhang, Kai-Cheng; Li, Yong-Feng; Liu, Gui-Bin; Zhu, Yan

    2012-01-01

    Although spin glass transitions have long been observed in diluted magnetic alloys, e.g. AuFe and CuMn alloys, previous numerical studies are not completely consistent with the experiment results. The abnormal critical exponents of the alloys remain still puzzling. By employing parallel tempering algorithm with finite-size scaling analysis, we investigated the phase transitions in canonical AuFe alloys. Our results strongly support that spin glass transitions occur at finite temperatures in the alloys. The calculated critical exponents agree well with those obtained from experiments. -- Highlights: ► By simulation we investigated the abnormal critical exponents observed in canonical SG alloys. ► The critical exponents obtained from our simulations agree well with those measured from experiments. ► Our results strongly support that RKKY interactions lead to SG transitions at finite temperatures.

  20. Experimental study of linear magnetic dichroism in photoionization satellite transitions of atomic rubidium

    International Nuclear Information System (INIS)

    Jaenkaelae, K.; Alagia, M.; Feyer, V.; Richter, R.; Prince, K. C.

    2011-01-01

    Laser orientation in the initial state has been used to study the properties of satellite transitions in inner-shell photoionization of rubidium atoms. The linear magnetic dichroism in the angular distribution (LMDAD) has been utilized to probe the continuum waves of orbital angular momentum conserving monopole, and angular momentum changing conjugate satellites, accompanying the 4p ionization of atomic Rb. We show experimentally that LMDAD of both types of satellite transitions is nonzero and that LMDAD of monopole satellites, measured as a function of photon energy, mimics the LMDAD of direct photoionization, whereas the LMDAD of conjugate transitions deviates drastically from that trend. The results indicate that conjugate transitions cannot be described theoretically without explicit inclusion of electron-electron interaction. The present data can thus be used as a very precise test of current models for photoionization.

  1. Application of positron annihilation induced auger electron spectroscopy to the study of surface chemistry

    International Nuclear Information System (INIS)

    Weiss, A.H.; Yang, G.; Nangia, A.; Kim, J.H.; Fazleev, N.G.

    1996-01-01

    Positron annihilation induced Auger Electron Spectroscopy (PAES), makes use a beam of low energy positrons to excite Auger transitions by annihilating core electrons. This novel mechanism provides PAES with a number of unique features which distinguishes it from other methods of surface analysis. In PAES the very large collisionally induced secondary electron background which is present under the low energy Auger peaks using conventional techniques can be eliminated by using a positron beam whose energy is below the range of Auger electron energies. In addition, PAES is more surface selective than conventional Auger Spectroscopy because the PAES signal originates almost exclusively from the topmost atomic layer due to the fact that the positrons annihilating with the core electrons are trapped in an image correlation well just outside the surface. In this paper, recent applications of Positron Annihilation Induced Auger Electron Spectroscopy (PAES) to the study of surface structure and surface chemistry will be discussed including studies of the growth, alloying and inter-diffusion of ultrathin layers of metals, metals on semiconductors, and semiconductors on semiconductors. In addition, the possibilities for future application of PAES to the study of catalysis and surface chemistry will be outlined. (author)

  2. U-Zr alloy: XPS and TEM study of surface passivation

    Science.gov (United States)

    Paukov, M.; Tkach, I.; Huber, F.; Gouder, T.; Cieslar, M.; Drozdenko, D.; Minarik, P.; Havela, L.

    2018-05-01

    Surface reactivity of Uranium metal is an important factor limiting its practical applications. Bcc alloys of U with various transition metals are much less reactive than pure Uranium. So as to specify the mechanism of surface protection, we have been studying the U-20 at.% Zr alloy by photoelectron spectroscopy and transmission electron microscopy. The surface was studied in as-obtained state, in various stages of surface cleaning, and during an isochronal annealing cycle. The analysis based on U-4f, Zr-3p, and O-1 s spectra shows that a Zr-rich phase segregates at the surface at temperatures exceeding 550 K, which provides a self-assembled coating. The comparison of oxygen exposure of the stoichiometric and coated surfaces shows that the coating is efficiently preventing the oxidation of uranium even at elevated temperatures. The coating can be associated with the UZr2+x phase. TEM study indicated that the coating is about 20 nm thick. For the clean state, the U-4f core-level lines of the bcc alloy are practically identical to those of α-U, revealing similar delocalization of the 5f electronic states.

  3. A study of the transition pathways of school level scholarship ...

    African Journals Online (AJOL)

    This study tracked the progress of alumni of an educational intervention two or three years post school, in order to investigate their pathways to their destinations of work and study. Forty percent of the alumni were successfully traced, and asked to fill in an online questionnaire. Of the 104 traced alumni, 80% reported good ...

  4. Study of mixed ternary transition metal ferrites as potential electrodes for supercapacitor applications

    Science.gov (United States)

    Bhujun, Bhamini; Tan, Michelle T. T.; Shanmugam, Anandan S.

    Nanocrystallites of three mixed ternary transition metal ferrite (MTTMF) were prepared by a facile sol-gel method and adopted as electrode material for supercapacitors. The phase development of the samples was determined using Fourier transform infrared (FT-IR) and thermal gravimetric analysis (TG). X-ray diffraction (XRD) analysis revealed the formation of a single-phase spinel ferrite in CuCoFe2O4 (CuCoF), NiCoFe2O4 (NiCoF) and NiCuFe2O4 (NiCuF). The surface characteristics and elemental composition of the nanocomposites have been studied by means of field emission scanning electron microscopy (FESEM), as well as energy dispersive spectroscopy (EDS). The electrochemical performance of the nanomaterials was evaluated using a two-electrode configuration by cyclic voltammetry, electrochemical impedance spectroscopy and galvanostatic technique in 1 M KOH electrolyte and was found to be in the order of: CuCoF > NiCoF > NiCuF. A maximum specific capacitance of 221 Fg-1 was obtained with CuCoF at a scan rate of 5 mV s-1. In addition to an excellent cycling stability, an energy density of 7.9 kW kg-1 was obtained at a current density of 1 Ag-1. The high electrochemical performance of the MTTMF nanocomposites obtained indicates that these materials are promising electrodes for supercapacitors.

  5. Participation in modified sports programs: a longitudinal study of children's transition to club sport competition.

    Science.gov (United States)

    Eime, Rochelle M; Casey, Meghan M; Harvey, Jack T; Charity, Melanie J; Young, Janet A; Payne, Warren R

    2015-07-14

    Many children are not physically active enough for a health benefit. One avenue of physical activity is modified sport programs, designed as an introduction to sport for young children. This longitudinal study identified trends in participation among children aged 4-12 years. Outcomes included continuation in the modified sports program, withdrawal from the program or transition to club sport competition. De-identified data on participant membership registrations in three popular sports in the Australian state of Victoria were obtained from each sport's state governing body over a 4-year period (2009-2012 for Sport A and 2010-2013 for Sports B and C). From the membership registrations, those who were enrolled in a modified sports program in the first year were tracked over the subsequent three years and classified as one of: transition (member transitioned from a modified sport program to a club competition); continue (member continued participation in a modified sport program; or withdraw (member discontinued a modified program and did not transition to club competition). Many modified sports participants were very young, especially males aged 4-6 years. More children withdrew from their modified sport program rather than transitioning. There were age differences between when boys and girls started, withdrew and transitioned from the modified sports programs. If we can retain children in sport it is likely to be beneficial for their health. This study highlights considerations for the development and implementation of sport policies and programming to ensure lifelong participation is encouraged for both males and females.

  6. The influence of undergraduate education on professional practice transition: a comparative descriptive study.

    Science.gov (United States)

    Williams, Bev; Richard, Liz; Al Sayah, Fatima

    2015-03-01

    Graduates from Problem/Context Based Learning (CBL) undergraduate nursing programs often express concern that they may not be as well prepared for transition to graduate nursing practice as their colleagues from more traditional lecture-based programs. To determine if there is a difference in how graduates from CBL and non-CBL programs describe their transition to graduate practice within the first 2 years of graduation. This was a comparative descriptive study that involved the use of a web-based survey. A convenience sample of 163 graduate nurses with 1 to 2 years of experience consented to be part of the study. They completed a researcher-designed questionnaire, which consisted of 26 items based on entry to practice competencies identified by the provincial professional nursing organization. There was no significant difference in the transition experience of graduates from CBL and traditional education programs within their first 2 years following graduation. These results confirm the findings of authors who compared transition among CBL and non-CBL graduates who had graduated anywhere from six months to several years following graduation. It is clear that CBL programs do prepare graduates to successfully transition into graduate nurse practice. Graduates from both CBL and non-CBL programs indicated a need for more formal agency sponsored orientation and transition assistance programs at the beginning of their initial employment. Copyright © 2014 Elsevier Ltd. All rights reserved.

  7. Positron beam studies of solids and surfaces: A summary

    International Nuclear Information System (INIS)

    Coleman, P.G.

    2006-01-01

    A personal overview is given of the advances in positron beam studies of solids and surfaces presented at the 10th International Workshop on Positron Beams, held in Doha, Qatar, in March 2005. Solids studied include semiconductors, metals, alloys and insulators, as well as biophysical systems. Surface studies focussed on positron annihilation-induced Auger electron spectroscopy (PAES), but interesting applications of positron-surface interactions in fields as diverse as semiconductor technology and studies of the interstellar medium serve to illustrate once again the breadth of scientific endeavour covered by slow positron beam investigations

  8. Positron beam studies of solids and surfaces: A summary

    Science.gov (United States)

    Coleman, P. G.

    2006-02-01

    A personal overview is given of the advances in positron beam studies of solids and surfaces presented at the 10th International Workshop on Positron Beams, held in Doha, Qatar, in March 2005. Solids studied include semiconductors, metals, alloys and insulators, as well as biophysical systems. Surface studies focussed on positron annihilation-induced Auger electron spectroscopy (PAES), but interesting applications of positron-surface interactions in fields as diverse as semiconductor technology and studies of the interstellar medium serve to illustrate once again the breadth of scientific endeavour covered by slow positron beam investigations.

  9. The Transition of High-Resolution NASA MODIS Sea Surface Temperatures into the WRF Environmental Modeling System

    Science.gov (United States)

    Case, Jonathan L.; Jedlove, Gary J.; Santos, Pablo; Medlin, Jeffrey M.; Rozumalski, Robert A.

    2009-01-01

    The NASA Short-term Prediction Research and Transition (SPoRT) Center has developed a Moderate Resolution Imaging Spectroradiometer (MODIS) sea surface temperature (SST) composite at 2-km resolution that has been implemented in version 3 of the National Weather Service (NWS) Weather Research and Forecasting (WRF) Environmental Modeling System (EMS). The WRF EMS is a complete, full physics numerical weather prediction package that incorporates dynamical cores from both the Advanced Research WRF (ARW) and the Non-hydrostatic Mesoscale Model (NMM). The installation, configuration, and execution of either the ARW or NMM models is greatly simplified by the WRF EMS to encourage its use by NWS Weather Forecast Offices (WFOs) and the university community. The WRF EMS is easy to run on most Linux workstations and clusters without the need for compilers. Version 3 of the WRF EMS contains the most recent public release of the WRF-NMM and ARW modeling system (version 3 of the ARW is described in Skamarock et al. 2008), the WRF Pre-processing System (WPS) utilities, and the WRF Post-Processing program. The system is developed and maintained by the NWS National Science Operations Officer Science and Training Resource Coordinator. To initialize the WRF EMS with high-resolution MODIS SSTs, SPoRT developed the composite product consisting of MODIS SSTs over oceans and large lakes with the NCEP Real-Time Global (RTG) filling data over land points. Filling the land points is required due to minor inconsistencies between the WRF land-sea mask and that used to generate the MODIS SST composites. This methodology ensures a continuous field that adequately initializes all appropriate arrays in WRF. MODIS composites covering the Gulf of Mexico, western Atlantic Ocean and the Caribbean are generated daily at 0400, 0700, 1600, and 1900 UTC corresponding to overpass times of the NASA Aqua and Terra polar orbiting satellites. The MODIS SST product is output in gridded binary-1 (GRIB-1) data

  10. A simple method for preparing radioactive capsules in colon transit study

    International Nuclear Information System (INIS)

    Wang Shyhjen; Lin Wanyu; Tsai Shihchuan; Chen Granhun

    2000-01-01

    Colon transit study is currently performed by delivering technetium-99m or indium-111 labelled activated charcoal to the colon in a methacrylate-coated capsule (coated capsule). However, the coating procedure is complicated and methacrylate has not been approved by the Food and Drug Administration. Therefore, a simpler method is needed for the clinical routine use of colon transit study. In this study, we used a commercial empty enteric capsule and a coated capsule for the measurement of colon transit time. We compared the in vitro stability and in vivo scintigraphy of 99m Tc-labelled activated charcoal in the coated capsule and the enteric capsule to evaluate the possibility of clinical usage of the enteric capsule for colon transit time study. Activated charcoal powder was mixed with 99m Tc-diethylene triamine penta-acetic acid (DTPA) and vaporized to dryness. The dry 99m Tc-DTPA activated charcoal was loaded into the coated capsule and the enteric capsule. In vitro stability study was performed by immersing these capsules in a colourless buffer of variable pH which mimicked the conditions in the stomach and the small bowel. Capsule disruption was determined. Colon transit scintigraphy with 99m Tc-DTPA charcoal was performed in five normal volunteers using these two capsules. The in vitro stability of these two types of capsule was similar and the colon transit scintigraphy findings were almost identical. Most capsules dissolved in the ascending colon and very few in the terminal ileum. It is concluded that enteric capsule is a suitable alternative to coated capsule for measurement of colon transit. (orig.)

  11. Electroreflectance and the problem of studying plasma-surface interactions

    International Nuclear Information System (INIS)

    Preppernau, B.L.

    1995-01-01

    A long standing problem in low-temperature plasma discharge physics is to understand in detail the mutual interaction of real exposed surfaces (electrodes) with the reactive plasma environment. In particular, one wishes to discern the influence of these surfaces on the plasma parameters given their contributions from secondary electrons and ions. This paper briefly reviews the known surface interaction processes as well as currently available diagnostics to study the interface between plasmas and surfaces. Next comes a discussion describing the application of plasma-modulated electroreflectance to this research and some potential experimental techniques

  12. Sputter deposited bioceramic coatings: surface characterisation and initial protein adsorption studies using surface-MALDI-MS

    DEFF Research Database (Denmark)

    Boyd, A. R.; Burke, G. A.; Duffy, H.

    2011-01-01

    Protein adsorption onto calcium phosphate (Ca–P) bioceramics utilised in hard tissue implant applications has been highlighted as one of the key events that influences the subsequent biological response, in vivo. This work reports on the use of surface-matrix assisted laser desorption ionisation...... to a combination of growth factors and lipoproteins present in serum. From the data obtained here it is evident that surface-MALDI-MS has significant utility as a tool for studying the dynamic nature of protein adsorption onto the surfaces of bioceramic coatings, which most likely plays a significant role...

  13. Study on hydrophilicity of polymer surfaces improved by plasma treatment

    International Nuclear Information System (INIS)

    Lai Jiangnan; Sunderland, Bob; Xue Jianming; Yan, Sha; Zhao Weijiang; Folkard, Melvyn; Michael, Barry D.; Wang Yugang

    2006-01-01

    Surface properties of polycarbonate (PC), polypropylene (PP), polyethylene terephthalate (PET) samples treated by microwave-induced argon plasma have been studied with contact angle measurement, X-ray photoelectron spectroscopy (XPS) and scanned electron microscopy (SEM). It is found that plasma treatment modified the surfaces both in composition and roughness. Modification of composition makes polymer surfaces tend to be highly hydrophilic, which mainly depended on the increase of ratio of oxygen-containing group as same as other papers reported. And this experiment further revealed that C=O bond is Key factor to the improvement of the hydrophilicity of polymer surfaces. Our SEM observation on PET shown that the roughness of the surface has also been improved in micron scale and it has influence on the surface hydrophilicity

  14. Contribution to the study of superconducting magnets using high transition temperature superconducting materials

    International Nuclear Information System (INIS)

    Lecrevisse, Thibault

    2012-01-01

    The new industrial superconductors using high critical temperature compounds offer new possibilities for superconducting magnetism. Indeed they allow higher magnetic field with the same classical cryogenics at 4.2 K on one hand, and on the other hand they also pave the way for superconducting magnets working between 10 K and 30 K. The high temperature superconductors are then needed in order to produce magnetic fields higher than 16 T (case of HTS dipole insert for Large Hadron Collider at CERN) or to increase the specific density stored in one SMES (Superconducting Magnetic Energy Storage, in the case of the SuperSMES ANR Project).Nevertheless the indisputable assets (critical temperature, critical magnetic field, mechanical stresses) brought by the use of High critical temperature superconductors like YBCO, used in superconducting magnets, require to solve some challenges. Their behavior is still badly understood, especially during the resistive transitions. To succeed in protecting these conductors we need a new reflection on protection schemes designed to avoid the thermal and mechanical damages. The answer to the question: 'Can we use those materials in the long run inside superconducting magnets?' is now inescapable.Some answers are given here. The use of the conductors is approached through various experimental studies to understand the material (electrical characterization and modeling of the critical surface) and to define the key stages of high critical temperature superconducting magnets manufacturing (work on the junctions between conductors and pancakes). This study led to the creation of two coils in order to identify the issues related to the use of YBCO tapes. A numerical thermo-electrical model of the high critical temperature superconductor has been developed and a numerical code based on the CEA software CASTEM (Finish Elements Model) allowed to study the resistive transition (or quench) behavior of those conductor and coil. The code has been

  15. Surface magnetism studied by polarized light emission after He+ scattering

    NARCIS (Netherlands)

    Manske, J; Dirska, M; Lubinski, G; Schleberger, M; Narmann, A; Hoekstra, R

    Surface magnetism is studied by means of an ion beam of low energy (2-15 keV) scattered off the surface under grazing incidence conditions. During the scattering, a small fraction of the ions is neutralized into excited states which decay subsequently by light emission. The circular polarization of

  16. A DFT study of volatile organic compounds adsorption on transition metal deposited graphene

    Energy Technology Data Exchange (ETDEWEB)

    Kunaseth, Manaschai, E-mail: manaschai@nanotec.or.th [Nanoscale Simulation Laboratory, National Nanotechnology Center (NANOTEC), National Science and Technology Development Agency (NSTDA), Pathum Thani, 12120 (Thailand); Poldorn, Preeyaporn [Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Ubon Ratchathani University, Ubon Ratchathani, 34190 (Thailand); Junkeaw, Anchalee; Meeprasert, Jittima; Rungnim, Chompoonut; Namuangruk, Supawadee [Nanoscale Simulation Laboratory, National Nanotechnology Center (NANOTEC), National Science and Technology Development Agency (NSTDA), Pathum Thani, 12120 (Thailand); Kungwan, Nawee [Department of Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200 (Thailand); Inntam, Chan [Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Ubon Ratchathani University, Ubon Ratchathani, 34190 (Thailand); Jungsuttiwong, Siriporn, E-mail: siriporn.j@ubu.ac.th [Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Ubon Ratchathani University, Ubon Ratchathani, 34190 (Thailand)

    2017-02-28

    Highlights: • VOCs removal via modified carbon-based adsorbent using density functional theory. • The single-vacancy defective graphene (SDG) with metal-deposited significantly increase the adsorption efficiency. • TM-doped SDG is a suitable adsorbent material for VOC removal. • Electron in hybridized sp{sup 2}-orbitals of heteroatoms has an effect on mode of adsorption. - Abstract: Recently, elevated global emission of volatile organic compounds (VOCs) was associated to the acceleration and increasing severity of climate change worldwide. In this work, we investigated the performance of VOCs removal via modified carbon-based adsorbent using density functional theory. Here, four transition metals (TMs) including Pd, Pt, Ag, and Au were deposited onto single-vacancy defective graphene (SDG) surface to increase the adsorption efficiency. Five prototypical VOCs including benzene, furan, pyrrole, pyridine, and thiophene were used to study the adsorption capability of metal-deposited graphene adsorbent. Calculation results revealed that Pd, Pt, Au, and Ag atoms and nanoclusters bind strongly onto the SDG surface. In this study, benzene, furan and pyrrole bind in the π-interaction mode using delocalized π-electron in aromatic ring, while pyridine and thiophene favor X- interaction mode, donating lone pair electron from heteroatom. In terms of adsorption, pyridine VOC adsorption strengths to the TM-cluster doped SDG surfaces are Pt{sub 4} (−2.11 eV) > Pd{sub 4} (−2.05 eV) > Ag{sub 4} (−1.53 eV) > Au{sub 4} (−1.87 eV). Our findings indicate that TM-doped SDG is a suitable adsorbent material for VOC removal. In addition, partial density of states analysis suggests that benzene, furan, and pyrrole interactions with TM cluster are based on p-orbitals of carbon atoms, while pyridine and thiophene interactions are facilitated by hybridized sp{sup 2}-orbitals of heteroatoms. This work provides a key insight into the fundamentals of VOCs adsorption on carbon

  17. Density functional theory study for the enhanced sulfur tolerance of Ni catalysts by surface alloying

    Science.gov (United States)

    Hwang, Bohyun; Kwon, Hyunguk; Ko, Jeonghyun; Kim, Byung-Kook; Han, Jeong Woo

    2018-01-01

    Sulfur compounds in fuels deactivate the surface of anode materials in solid oxide fuel cells (SOFCs), which adversely affect the long-term durability. To solve this issue, it is important to design new SOFC anode materials with high sulfur tolerance. Unfortunately, it is difficult to completely replace the traditional Ni anode owing to its outstanding reactivity with low cost. As an alternative, alloying Ni with transition metals is a practical strategy to enhance the sulfur resistance while taking advantage of Ni metal. Therefore, in this study, we examined the effects of transition metal (Cu, Rh, Pd, Ag, Pt, and Au) doping into a Ni catalyst on not only the adsorption of H2S, HS, S, and H but also H2S decomposition using density functional theory (DFT) calculations. The dopant metals were selected rationally by considering the stability of the Ni-based binary alloys. The interactions between sulfur atoms produced by H2S dissociation and the surface are weakened by the dopant metals at the topmost layer. In addition, the findings show that H2S dissociation can be suppressed by doping transition metals. It turns out that these effects are maximized in the Au-doped Ni catalyst. Our DFT results will provide useful insights into the design of sulfur-tolerant SOFC anode materials.

  18. Use of fluorescence to probe the surface dynamics during disorder-to-order transition and cluster formation in dihalonaphthalene-water thin films on Al2O3(0001)

    International Nuclear Information System (INIS)

    Evans, M.A.; Hoss, D.R.; Howard, K.E.; Louie, A.D.; Bishop, A.J.; Martin, K.A.; Nishimura, A.M.

    2006-01-01

    Amorphous dihalonaphthalenes that are prepared by vacuum deposition onto a cold Al 2 O 3 surface form electronically excited dimers when optically pumped, and their emission is characteristically red-shifted, broad and featureless compared to the monomeric fluorescence. If the surface is heated, the adlayer undergoes a disorder-to-order transition at a temperature characteristic of the molecule. Since pure crystalline dihalonaphthalenes typically fluoresce and do not exhibit excimeric features, the transition was studied by taking advantage of the changes in the spectral characteristics of the adlayer. These included transmittance, and emission from fluorescence and excimer. The combination of these methods allowed a close look at the surface dynamics of molecules on the surface of Al 2 O 3 as the adlayer was heated from the deposition temperature to desorption. If a bilayer is formed by depositing water onto the surface with the organic adlayer on top, water, with its lower desorption energy, can be made to percolate into the organic layer. The optical probes indicate that the water clearly associates with the organic molecules while the excess water desorbs. By varying the coverage of either the water or the dihalonaphthalene, the stoichiometric composition of the cluster can be determined and are reported here

  19. School Transitions: A Qualitative Study of the Supports Provided by Washington State Special Education Administrators

    Science.gov (United States)

    Lewinsohn, Kari

    2013-01-01

    This study investigated the role of special education administrators in the transition planning process for children with disabilities ages 3-21 in selected Washington school districts. A basic qualitative study was selected to construct meaning from a described phenomenon. The study sought to identify and explain how special education…

  20. A study of the colonic transit function by dual radionuclide colon scintigraphy

    International Nuclear Information System (INIS)

    Yang Weidong; Sun Buzhou; Song Changyi; Lu Jinyan; Wang Shejiao; Zheng Xianghong; Huang Lin; Lei Yamei

    1999-01-01

    Objective: To establish a new, simple and noninvasive method which can quantitatively analyze the colonic transit function by dual radionuclide colon scintigraphy. Methods: 24 patients with constipation and 32 normal controls were studied. Na 131 I was sealed into capsule made by polyvinylchloride which can not be digested and absorbed in gastrointestinal tract. Patients and normal volunteers swallow 131 I capsules and drink 99 Tc m labelled sulfur colloid solution at the same time. The static image was acquired at the regular time, then calculate the Geometric Center values (GC). Results: 1) The capsules can be clearly located through the colonic contour shown by 99 Tc m labeled sulfur colloid when it reached the large bowel. 2) The transiting time from mouth to cecum, through colon and through whole gastrointestinal in normal people were (6.61 +- 1.94), (36.61 +- 10.51) and (42.72 +- 10.02) h, respectively, in constipation group were (8.03 +- 3.63), (65.50 +- 28.40) and (74.05 +- 28.17) h, respectively. There was no significant difference (P > 0.05) in two groups compared with each other. But the transiting time through colon and whole gastrointestinal in constipation was slower than that in normal people, with significant difference (P < 0.01). 3) Through examination the colonic transit abnormality can be divided into three patterns: whole colon transit delay, right-colon transit delay and left-colon transit delay. Conclusions: This method is a simple, physiologic and quantitative in evaluating the colonic transit, it can also stage the colonic dyskinesia of the patients

  1. Frailty transitions and types of death in Chinese older adults: a population-based cohort study

    Science.gov (United States)

    Jiang, Xiao-yan; Wang, Xiao-feng; Shi, Yan; Hai, Hua

    2018-01-01

    Background Little is known about the adverse effects of frailty transitions. In this study, we aimed to characterize the transitions between frailty states and examine their associations with the type of death among older adults in China, a developing country with a rapidly growing aging population. Methods We used data of 11,165 older adults (aged 65–99 years) from the 2002 and 2005 waves of the Chinese Longitudinal Healthy Longevity Survey (CLHLS). Overall, 44 health deficits were used to construct frailty index (FI; range: 0–1), which was then categorized into a three-level variable: nonfrail (FI ≤0.10), prefrail (0.100.21). Outcome was four types of death based on bedridden days and suffering state (assessed in the 2008 wave of CLHLS). Results During the 3-year period, 3,394 (30.4%) participants had transitioned between different frailty states (nonfrail, prefrail, and frail), one-third transitioned to death, and one-third remained in previous frailty states. Transitions to greater frailty (ie, “worsening”) were more common than transitions to lesser frailty (ie, “improvement”). Among four categories of frailty transitions, “worsening” and “remaining frail” had increased risks of painful death, eg, with odds ratios of 1.92 (95% confidence interval [CI] =1.41, 2.62) and 4.75 (95% CI =3.32, 6.80), respectively, for type 4 death (ie, ≥30 bedridden days with suffering before death). Conclusion This large sample of older adults in China supports that frailty is a dynamic process, characterized by frequent types of transitions. Furthermore, those who remained frail had the highest likelihood of experiencing painful death, which raises concerns about the quality of life in frail populations. PMID:29805253

  2. Temperature-dependent vibrational spectroscopy to study order-disorder transitions in charge transfer complexes

    Directory of Open Access Journals (Sweden)

    Rohan Isaac

    2018-02-01

    Full Text Available Charge-transfer (CT complexes are a promising class of materials for the semiconductor industry because of their versatile properties. This class of compounds shows a variety of phase transitions, which are of interest because of their potential impact on the electronic characteristics. Here temperature-dependent vibrational spectroscopy is used to study structural phase transitions in a set of organic CT complexes. Splitting and broadening of infrared-active phonons in the complex formed between pyrene and pyromellitic dianhydride (PMDA confirm the structural transition is of the order-disorder type and complement previous x-ray diffraction (XRD results. We show that this technique is a powerful tool to characterize transitions, and apply it to a range of binary CT complexes composed of polyaromatic hyrdocarbons (anthracene, perylene, phenanthrene, pyrene, and stilbene and PMDA. We extend the understanding of transitions in perylene-PMDA and pyrene-PMDA, and show that there are no order-disorder transitions present in anthracene-PMDA, stilbene-PMDA and phenanthrene-PMDA in the temperature range investigated here.

  3. Temperature-dependent vibrational spectroscopy to study order-disorder transitions in charge transfer complexes

    Science.gov (United States)

    Isaac, Rohan; Goetz, Katelyn P.; Roberts, Drew; Jurchescu, Oana D.; McNeil, L. E.

    2018-02-01

    Charge-transfer (CT) complexes are a promising class of materials for the semiconductor industry because of their versatile properties. This class of compounds shows a variety of phase transitions, which are of interest because of their potential impact on the electronic characteristics. Here temperature-dependent vibrational spectroscopy is used to study structural phase transitions in a set of organic CT complexes. Splitting and broadening of infrared-active phonons in the complex formed between pyrene and pyromellitic dianhydride (PMDA) confirm the structural transition is of the order-disorder type and complement previous x-ray diffraction (XRD) results. We show that this technique is a powerful tool to characterize transitions, and apply it to a range of binary CT complexes composed of polyaromatic hyrdocarbons (anthracene, perylene, phenanthrene, pyrene, and stilbene) and PMDA. We extend the understanding of transitions in perylene-PMDA and pyrene-PMDA, and show that there are no order-disorder transitions present in anthracene-PMDA, stilbene-PMDA and phenanthrene-PMDA in the temperature range investigated here.

  4. A proposal to study the esophageal transit by biomagnetic and scintigraphic study

    International Nuclear Information System (INIS)

    Daghastanli, N.A.; Braga, F.J.H.N.; Baffa, O.

    1996-01-01

    The initial results for a new apparatus to study the esophageal transit time is studied in asymptomatic persons for a yogurt bolus (10 ml). The bolus is uniformly labeled with 5 g of ferrite powder (biomagnetic study, B) or 350 MBq of 99m Tc (scintigraphic study, C). For the B study the detection is made by means two pair of coils in opposite phase excited by a 10 k Hz sinusoidal voltage. The signal response is obtained when the bolus traverses the coils placed on the regions-of-interest (ROIs) of the esophagus (furcula, F and xiphoid process, X) and produces a signal voltage that is measured by a lock-in amplifier Stanford SR530. For C studies an Orbiter Siemens scintillation camera is used linked to a computer. The data analysis shows a (4.1±0.7)s in B studies and (3.7±0.9)s in C studies (R=0.6, P<0.07)

  5. Transitions Study of predictors of illness progression in young people with mental ill health: study methodology.

    Science.gov (United States)

    Purcell, R; Jorm, A F; Hickie, I B; Yung, A R; Pantelis, C; Amminger, G P; Glozier, N; Killackey, E; Phillips, L; Wood, S J; Mackinnon, A; Scott, E; Kenyon, A; Mundy, L; Nichles, A; Scaffidi, A; Spiliotacopoulos, D; Taylor, L; Tong, J P Y; Wiltink, S; Zmicerevska, N; Hermens, Daniel; Guastella, Adam; McGorry, P D

    2015-02-01

    An estimated 75% of mental disorders begin before the age of 24 and approximately 25% of 13-24-year-olds are affected by mental disorders at any one time. To better understand and ideally prevent the onset of post-pubertal mental disorders, a clinical staging model has been proposed that provides a longitudinal perspective of illness development. This heuristic model takes account of the differential effects of both genetic and environmental risk factors, as well as markers relevant to the stage of illness, course or prognosis. The aim of the Transitions Study is to test empirically the assumptions that underpin the clinical staging model. Additionally, it will permit investigation of a range of psychological, social and genetic markers in terms of their capacity to define current clinical stage or predict transition from less severe or enduring to more severe and persistent stages of mental disorder. This paper describes the study methodology, which involves a longitudinal cohort design implemented within four headspace youth mental health services in Australia. Participants are young people aged 12-25 years who have sought help at headspace and consented to complete a comprehensive assessment of clinical state and psychosocial risk factors. A total of 802 young people (66% female) completed baseline assessments. Annual follow-up assessments have commenced. The results of this study may have implications for the way mental disorders are diagnosed and treated, and progress our understanding of the pathophysiologies of complex mental disorders by identifying genetic or psychosocial markers of illness stage or progression. © 2013 Wiley Publishing Asia Pty Ltd.

  6. Thermodynamic study of phase transitions of imidazoles and 1-methylimidazoles

    International Nuclear Information System (INIS)

    Almeida, Ana R.R.P.; Monte, Manuel J.S.

    2012-01-01

    Highlights: → Sublimation vapor pressures of imidazole, N-methylimidazole and four derivatives were measured. → Liquid vapor pressures were also measured for four of the compounds studied. → Vapor pressure results enabled determination of sublimation, vaporization, and fusion enthalpy. → From enthalpies of sublimation, enthalpies of intermolecular N-H...N bonds were estimated. - Abstract: The vapor pressures of imidazole, N-methylimidazole and of their dichloro and dicyano substituted compounds were measured at different temperatures, in the crystalline phase for two of them, and in crystalline and liquid phases for the other four. From these measurements, enthalpies and standard entropies of sublimation and vaporization were derived. The results allowed the determination of the triple points (p, T) coordinates of the four compounds studied in both condensed phases as well as the calculation of their enthalpy of fusion. Enthalpies and temperatures of fusion were also determined using d.s.c. The experimental results enabled the estimation of the enthalpy of the intermolecular N-H...N bonds in the imidazoles studied.

  7. Thermodynamic study of phase transitions of imidazoles and 1-methylimidazoles

    Energy Technology Data Exchange (ETDEWEB)

    Almeida, Ana R.R.P., E-mail: ana.figueira@fc.up.pt [Centro de Investigacao em Quimica, Departamento de Quimica e Bioquimica, Faculdade de Ciencias da Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007 Porto (Portugal); Monte, Manuel J.S., E-mail: mjmonte@fc.up.pt [Centro de Investigacao em Quimica, Departamento de Quimica e Bioquimica, Faculdade de Ciencias da Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007 Porto (Portugal)

    2012-01-15

    Highlights: > Sublimation vapor pressures of imidazole, N-methylimidazole and four derivatives were measured. > Liquid vapor pressures were also measured for four of the compounds studied. > Vapor pressure results enabled determination of sublimation, vaporization, and fusion enthalpy. > From enthalpies of sublimation, enthalpies of intermolecular N-H...N bonds were estimated. - Abstract: The vapor pressures of imidazole, N-methylimidazole and of their dichloro and dicyano substituted compounds were measured at different temperatures, in the crystalline phase for two of them, and in crystalline and liquid phases for the other four. From these measurements, enthalpies and standard entropies of sublimation and vaporization were derived. The results allowed the determination of the triple points (p, T) coordinates of the four compounds studied in both condensed phases as well as the calculation of their enthalpy of fusion. Enthalpies and temperatures of fusion were also determined using d.s.c. The experimental results enabled the estimation of the enthalpy of the intermolecular N-H...N bonds in the imidazoles studied.

  8. Study of transitional nuclei at TRISTAN. Progress report

    International Nuclear Information System (INIS)

    Petry, R.F.

    1983-01-01

    During the past calendar year the Oklahoma group has participated in decay studies on the following nuclides: 99 Rb, 99 Sr, 101 Y, and 100 Y. The resulting information on the structure of these nuclides has defined band structure for the first time in the odd-A nuclei in this region. The principal investigator also participated in a measurement of the g-factor of an excited state in 97 Zr and two attempts to measure the quadrupole moment of the same state. Details of these and other activities are given

  9. Application of surface science to the study of the corrosion of PWR primary circuit materials

    International Nuclear Information System (INIS)

    Harris, S.J.

    1989-04-01

    This thesis describes a study of the corrosion and oxidation of PWR primary circuit materials using surface sensitive spectroscopic techniques. An X-ray photoemission spectroscopy (XPS) study of a number of mixed oxides of known composition is described and the information obtained is related to XPS measurements made on the surface of iron and nickel based alloys oxidised under controlled conditions. A secondary ion mass spectroscopy (SIMA) study on these mixed transition metal oxides is also described. The gaseous oxidation of stainless steel 3041 and Inconel-690 is examined. Both alloys were oxidised at 600K in air with the composition of the oxide films formed studied by a range of surface spectroscopic methods. Further experimental work was performed on Inconel-690 to examine the effects of surface pretreatment and the effects of low oxygen partial pressures on the formation of oxide films at 600 K. The incorporation of the radionuclide, cobalt-60, into the oxide films formed on structural components of a PWR, result in the build up of radiation fields. A method of pretreating the surface of the alloy stainless steel 3041, in order to reduce the level of cobalt adsorbed into the oxide film formed under simulated primary coolant conditions is examined and contrasts with treatments which have been developed to release cobalt adsorbed in existing oxide layers under reactor conditions are discussed. (author)

  10. Coal Transition in the Netherlands. An historical case study for the project 'Coal Transitions: Research and Dialogue on the Future of Coal'

    International Nuclear Information System (INIS)

    Gales, Ben; Hoelsgens, Rick

    2017-01-01

    This is one of the 6 country case-studies commissioned to collect experience on past coal transitions. The 6 countries are: Czech Republic, the Netherlands, Poland, Spain, UK, USA. Their role in the Coal Transitions project was to provide background information for a Synthesis Report for decision makers, and provide general lessons for national project teams to take into account in developing their coal transitions pathways for the future. This document provides on overview of coal transitions in the Netherlands in the post-war period. The main focus is an in depth case study of the reconversion of the Limburg region in the South-east of the country which took place from 1965 to 1990. This is discussed in the first part of the document. The later part of the document discusses the re-emergence of coal as an energy source in the Netherlands and present challenges to phasing out coal use

  11. Experimental studies of photon-surface interaction dynamics in the alkali halides

    International Nuclear Information System (INIS)

    Haglund, R.F. Jr.; Tolk, N.H.

    1986-01-01

    We describe recent measurements which have provided, in unprecedented detail, insights into the electronic mechanisms through which energy carried into a material by photon irradiation is absorbed, localized and rechanneled to produce desorption, surface modification, erosion and damage. The specific object of these studies has been desorption induced by electronic transition in alkali halide crystals, with particular emphasis on the dynamics of changes in the surface and near-surface regions. In our experiments, the irradiating ultraviolet photons are provided by a synchrotron storage ring, and the dynamical information about desorption products is obtained from optical measurements of the quantum states, yields and velocity distributions of neutral ground-state and excited-state atoms ejected from the surface of the irradiating material. These studies have shown that the dominant exit channels in photon-induced particle emission are those producing ground-state and excited-state neutral atoms. Using dynamical information about these desorbing neutral species, obtained, for example, by laser-induced fluorescence and laser Doppler spectroscopy, we are generating an increasingly comprehensive picture of the dynamics of electronic energy flow into and out of pure crystalline surfaces in these prototypical dielectrics. We are also beginning to be able to relate desorption dynamics to specific materials properties, and to discriminate between pure surface and near-surface effects in these materials. Applications of these techniques to the problem of photon-induced surface damage and to analysis of surface dynamics in dielectric materials are discussed, and the relationships between these nearly ideal model materials and the non-crystalline, covalently bonded materials more typical of real optical elements are pointed out. 19 refs., 13 figs

  12. Microscopic Study of Surface Microtopographic Characteristics of Dental Implants

    Science.gov (United States)

    Sezin, M.; Croharé, L.; Ibañez, J.C.

    2016-01-01

    Objective: To determine and compare the micro topographic characteristics of dental implants submitted to different surface treatments, using scanning electron microscopy (SEM). Materials and Methods: Implants were divided into 7 groups of 3 specimens each, according to the surface treatment used: group 1: Osseotite, BIOMET 3i; group 2: SLA surface, Institut Straumann AG; group 3: Oxalife surface, Tree-Oss implant; group 4: B&W implant surface; group 5: Q-implant surface; group 6: ML implant surface; group 7: RBM surface, Rosterdent implant. The surfaces were examined under SEM (Carl Zeiss FE-SEM-SIGMA). Image Proplus software was used to determine the number and mean diameter of pores per area unit (mm). The data obtained were analyzed with the Mann-Whitney test. A confocal laser microscope (LEXT-OLS4100 Olympus) was used to conduct the comparative study of surface roughness (Ra). Data were analyzed using Tukey's HSD test. Results: The largest average pore diameter calculated in microns was found in group 5 (3.45 µm+/-1.91) while the smallest in group 7 (1.47µm+/-1.29). Significant differences were observed among each one of the groups studied (p<0.05). The largest number of pores/mm2 was found in group 2 (229343) and the smallest number in group 4 (10937). Group 2 showed significant differences regarding the other groups (p<0.05). The greatest roughness (Ra) was observed in group 2 (0.975µm+/-0.115) and the smallest in group 4 (0.304µm+/-0.063). Group 2 was significantly different from the other groups (p<0.05). Conclusion: The micro topography observed in the different groups presented dissimilar and specific features, depending on the chemical treatment used for the surfaces.. PMID:27335615

  13. Applications of neural networks to the studies of phase transitions of two-dimensional Potts models

    Science.gov (United States)

    Li, C.-D.; Tan, D.-R.; Jiang, F.-J.

    2018-04-01

    We study the phase transitions of two-dimensional (2D) Q-states Potts models on the square lattice, using the first principles Monte Carlo (MC) simulations as well as the techniques of neural networks (NN). We demonstrate that the ideas from NN can be adopted to study these considered phase transitions efficiently. In particular, even with a simple NN constructed in this investigation, we are able to obtain the relevant information of the nature of these phase transitions, namely whether they are first order or second order. Our results strengthen the potential applicability of machine learning in studying various states of matters. Subtlety of applying NN techniques to investigate many-body systems is briefly discussed as well.

  14. Sum-frequency spectroscopic studies: I. Surface melting of ice, II. Surface alignment of polymers

    Energy Technology Data Exchange (ETDEWEB)

    Wei, Xing [Univ. of California, Berkeley, CA (United States)

    2000-01-01

    Surface vibrational spectroscopy via infrared-visible sum-frequency generation (SFG) has been established as a useful tool to study the structures of different kinds of surfaces and interfaces. This technique was used to study the (0001) face of hexagonal ice (Ih). SFG spectra in the O-H stretch frequency range were obtained at various sample temperatures. For the vapor(air)/ice interface, the degree of orientational order of the dangling OH bonds at the surface was measured as a function of temperature. Disordering sets in around 200 K and increases dramatically with temperature, which is strong evidence of surface melting of ice. For the other ice interfaces (silica/OTS/ice and silica/ice), a similar temperature dependence of the hydrogen bonded OH stretch peak was observed; the free OH stretch mode, however, appears to be different from that of the vapor (air)/ice interface due to interactions at the interfaces. The technique was also used to measure the orientational distributions of the polymer chains on a rubbed polyvinyl alcohol surface. Results show that the polymer chains at the surface appear to be well aligned by rubbing, and the adsorbed liquid crystal molecules are aligned, in turn, by the surface polymer chains. A strong correlation exists between the orientational distributions of the polymer chains and the liquid crystal molecules, indicating that the surface-induced bulk alignment of a liquid crystal film by rubbed polymer surfaces is via an orientational epitaxy-like mechanism. This thesis also contains studies on some related issues that are crucial to the above applications. An experiment was designed to measure SFG spectra in both reflection and transmission. The result confirms that SFG in reflection is generally dominated by the surface contribution. Another issue is the motional effect due to fast orientational motion of molecules at a surface or interface. Calculations show that the effect is significant if the molecular orientation varies

  15. 3D SEM for surface topography quantification – a case study on dental surfaces

    International Nuclear Information System (INIS)

    Glon, F; Flys, O; Lööf, P-J; Rosén, B-G

    2014-01-01

    3D analysis of surface topography is becoming a more used tool for industry and research. New ISO standards are being launched to assist in quantifying engineering surfaces. The traditional optical measuring instrumentation used for 3D surface characterization has been optical interferometers and confocal based instrumentation. However, the resolution here is limited in the lateral dimension to the wavelength of visible light to about 500 nm. The great advantage using the SEM for topography measurements is the high flexibility to zoom from low magnifications and locating interesting areas to high magnification of down to nanometer large surface features within seconds. This paper presents surface characterization of dental implant micro topography. 3D topography data was created from SEM images using commercial photogrammetric software. A coherence scanning interferometer was used for reference measurements to compare with the 3D SEM measurements on relocated areas. As a result of this study, measurements emphasizes that the correlation between the accepted CSI measurements and the new technology represented by photogrammetry based on SEM images for many areal characterization parameters are around or less than 20%. The importance of selecting sampling and parameter sensitivity to varying sampling is high-lighted. Future work includes a broader study of limitations of the photogrammetry technique on certified micro-geometries and more application surfaces at different scales

  16. Studies of iodine concentration in steel and transition metals

    International Nuclear Information System (INIS)

    Kormann, C.; Kozlowski, W.; Oleksi-Frenzel, J.; Nachtigall, K.; Neste, A. van; Welsh, M.; Titze-Zaeske, B.; Plieth, W.

    1990-01-01

    Radioactive iodine which originates from nuclear fuel reprocessing plants as a fission product and consists mainly of the radioactive isotopes 129 I, 131 I, and of the inactive 127 I, must be quantitatively adsorbed at the end of the process for the purpose of safe waste disposal. Inspite of using high-alloy austenitic chrome nickel steels, major corrosion effects were observed at tubes and containers of the PASSAT dissolver waste gas purifier. This research project serves to clarify the question in which parts of the installation iodine concentration is to be expected under certain conditions. Furthermore it serves to identify the redox state of iodine in the various installation components. For this purpose steel (1.4306esu and 1.4563N), zirconium and titanium were studied in nitric iodic media. With the objective of calculating iodine adsorption isotherms, the following methods were used to obtain qualitative and quantitative data: FTIR, ellipsometry, 131 I radiotracer method, cyclo-voltametry, closed circuit potential measurements, ion chromatography. (orig./DG) [de

  17. Platelet adhesion studies on dipyridamole coated polyurethane surfaces

    Directory of Open Access Journals (Sweden)

    Aldenhoff Y. B.J.

    2003-06-01

    Full Text Available Surface modification of polyurethanes (PUs by covalent attachment of dipyridamole (Persantinregistered is known to reduce adherence of blood platelets upon exposure to human platelet rich plasma (PRP. This effect was investigated in further detail. First platelet adhesion under static conditions was studied with four different biomaterial surfaces: untreated PU, PU immobilised with conjugate molecule 1, PU immobilised with conjugate molecule 2, and PU immobilised with conjugate molecule 3. In PU immobilised with 1 dipyridamole is directly linked to the surface, in PU immobilised with 2 there is a short hydrophilic spacer chain in between the surface and the dipyridamole, while conjugate molecule 3 is merely the spacer chain. Scanning electron microscopy (SEM was used to characterise platelet adhesion from human PRP under static conditions, and fluorescence imaging microscopy was used to study platelet adhesion from whole blood under flow. SEM experiments encompassed both density measurements and analysis of the morphology of adherent platelets. In the static experiments the surface immobilised with 2 showed the lowest platelet adherence. No difference between the three modified surfaces emerged from the flow experiments. The surfaces were also incubated with washed blood platelets and labeled with Oregon-Green Annexin V. No capture of Oregon-Green Annexin V was seen, implying that the adhered platelets did not expose any phosphatidyl serine at their exteriour surface.

  18. 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.

  19. Neutron diffraction studies of transition metal hydride complexes

    International Nuclear Information System (INIS)

    Koetzle, T.F.; Bau, R.

    1976-01-01

    Investigations of H 3 Ta(C 5 H 5 ) 2 (III), HW 2 (CO) 9 (NO) (IV), and HW 2 (CO) 8 (NO) (P(OCH 3 ) 3 ) (V) have been completed. Preliminary results are available for HFeCo 3 (CO) 9 [P(OCH 3 ) 3 ] 3 (VII). This work, together with studies of HMo 2 (C 5 H 5 ) 2 (CO) 4 (P(CH 3 ) 2 ) (VI) and [(C 2 H 5 ) 4 N] + [HCr 2 (CO) 10 ] - carried out at Argonne has led to some general observations on the geometry and the nature of bonding in these compounds. For example, in the structures of IV and V, both of which have bent W--H--W linkages (less than W--H--W in the range 125-130 0 ), there is conclusive evidence for the existence of a closed three-center W--H--W bond with significant metal-metal interaction. Such is the case, because extensions of the axial W--C and W--N bonds trans to the hydride intersect at a point near the center of the W--H--W triangle. The geometry of VI, which also contains a bent M--H--M bond, is consistent with that of IV and V. Bridging M--H bonds in these second- and third-row hydrides range in length from 1.85 to 1.89 A, compared to 1.75 A in the first-row polynuclear complex VII. For metals of corresponding rows, bridging M--H bonds are about 0.1 A longer than terminal bonds, which are classified as single covalent bonds

  20. Surface physics studied by means of scanning tunneling microscopy

    International Nuclear Information System (INIS)

    Besenbacher, F.; Laegsgaard, E.; Stensgaard, I.

    1993-01-01

    Scanning tunneling microscopy has been applied to study silicon crystal structures, oxygen on Cu (110), and real industrial catalyst surfaces. For the latter purpose an Atomic Force Microscope is being developed. (EG)

  1. Experimental and theoretical studies of bombardment induced surface morphology changes

    International Nuclear Information System (INIS)

    Carter, G.; Nobes, M.J.; Williams, J.S.

    1980-01-01

    In this review results of experimental and theoretical studies of solid surface morphology changes due to ion bombardment are discussed. An attempt is undertaken to classify the observed specific features of a structure, generated by ion bombardment [ru

  2. The energy transition: new dialogues between cities and local stakeholders. Exploratory study

    International Nuclear Information System (INIS)

    Saxer, Olivia; Lacassagne, Sylvie; Guerin, Laura; Dupas, Stephane

    2016-01-01

    Energy Cities has carried out an exploratory study for cities and diverse project leaders desiring to start a sustainable energy transition in collaboration with all stakeholders in their territory. Local authorities have a key role to play in climate and energy policies and in the energy transition towards a low carbon, energy efficient and sustainable society. However, they cannot act alone. They often control only a small percentage of the emissions of local greenhouse gases directly, and this percentage rarely exceeds a quarter. It is therefore necessary to rely on the involvement of local stakeholders, which in turn will provide an opportunity for these stakeholders to be ambitious through innovative actions. How to stimulate stakeholders' involvement? In the past several years, a number of citizens', economic actors' or other local actors' initiatives have contributed to the energy transition of territories. These initiatives are based on empowerment. For instance, stakeholders can get access and the power to act on innovative tools and approaches, such as social economy, stakeholders' participation, crowd-funding, renewable energy citizen cooperatives and fab labs. Two primary questions to explore: As coordinators and pilots of local strategies for energy transition, how can local authorities foster, identify, support and replicate local energy transition initiatives? What dialogue should local authorities and leaders of local initiatives engage in? How can they drive new modes of governance, where stakeholders share responsibility to co-develop public policies, manage their city, and encourage the energy transition at the local level? We selected more than ten European energy transition initiatives, as diverse as they are innovative, anticipating new forms of governance and new ways to act and collaborate. The exploratory study does not only describe their process but it also analyses the synergies between the different stakeholders and the role the

  3. The menopause transition experiences of Chinese Singaporean women: an exploratory qualitative study.

    Science.gov (United States)

    Lim, Hui-Koon; Mackey, Sandra

    2012-06-01

    Menopause, a developmental occurrence that takes place in midlife, marks the end of a woman's fertile phase. Cultural norms, social influences, and personal perceptions related to menopause may influence its meaning and how each woman experiences this transition. Little is known about the menopausal experiences of Asian women. This study explores the menopause transition experiences of ethnic Chinese women in Singapore. Using a qualitative design, the researchers conducted audio-taped interviews in 2010 with 14 menopausal and postmenopausal Chinese Singaporean women aged 40-60 years. Thematic analysis was used to analyze interviews. Two main themes were identified: (a) experiencing symptoms and (b) managing symptoms during menopause transition. The most commonly reported symptoms were abnormal bleeding, hot flushes, and emotional changes. Most participants described their transition to be uneventful and ordinary and reported two significant symptoms at most. The strategies women used to manage their transition included using Western and traditional Chinese medical interventions and seeking support from family and friends. This study provides new insights into how ethnic Chinese women in Singapore experience menopause transition. Findings can assist nurses and healthcare workers in the local context to better understand menopausal women's needs and guide nurses to implement suitable health promotional strategies for women under their care in both hospital and community settings. Although ethnicity is not necessarily a determinant of symptom experience during menopause transition, health education for menopausal women should be based on knowledge of culture-specific practices. Nurses caring for menopausal women in hospital and community settings in Singapore should evaluate the use of medications prescribed by Western and Chinese herbal medical professionals as well as those that are self-prescribed.

  4. Ti and Zr surfaces studied by molecular dynamics

    International Nuclear Information System (INIS)

    Pascuet, Maria I.; Passianot, Roberto C.; Monti, Ana M.

    2003-01-01

    The interaction between point defects technique and the (0001), (1-210), (10-10) surfaces in Ti and Zr is studied by the molecular dynamics technique. Both of metals are in the hexagonal structure and within a temperature range of 100 to 900 K. The atomic interactions are modeled by EAM-type many-body potentials, that were used previously in static simulations. New migration mechanisms are unraveled and others are verified with respect to those already proposed in the static studies. Also included is an analysis of the vacancy stability in the sub-surface layers of the prismatic surfaces. (author)

  5. Theoretical study of fractal growth and stability on surface

    DEFF Research Database (Denmark)

    Dick, Veronika V.; Solov'yov, Ilia; Solov'yov, Andrey V.

    2009-01-01

    We perform a theoretical study of the fractal growing process on surface by using the deposition, diffusion, aggregation method. We present a detailed analysis of the post-growth processes occurring in a nanofractal on surface. For this study we developed a method which describes the internal...... dynamics of particles in a fractal and accounts for their diffusion and detachment. We demonstrate that these kinetic processes are responsible for the formation of the final shape of the islands on surface after the post-growth relaxation....

  6. Studies of nanosecond pulse surface ionization wave discharges over solid and liquid dielectric surfaces

    International Nuclear Information System (INIS)

    Petrishchev, Vitaly; Leonov, Sergey; Adamovich, Igor V

    2014-01-01

    Surface ionization wave discharges generated by high-voltage nanosecond pulses, propagating over a planar quartz surface and over liquid surfaces (distilled water and 1-butanol) have been studied in a rectangular cross section test cell. The discharge was initiated using a custom-made, alternating polarity, high-voltage nanosecond pulse plasma generator, operated at a pulse repetition rate of 100–500 Hz, with a pulse peak voltage and current of 10–15 kV and 7–20 A, respectively, a pulse FWHM of ∼100 ns, and a coupled pulse energy of 2–9 mJ/pulse. Wave speed was measured using a capacitive probe. ICCD camera images demonstrated that the ionization wave propagated predominantly over the quartz wall or over the liquid surface adjacent to the grounded waveguide placed along the bottom wall of the test cell. Under all experimental conditions tested, the surface plasma ‘sheet’ was diffuse and fairly uniform, both for positive and negative polarities. The parameters of ionization wave discharge propagating over distilled water and 1-butanol surfaces were close to those of the discharge over a quartz wall. No perturbation of the liquid surface by the discharge was detected. In most cases, the positive polarity surface ionization wave propagated at a higher speed and over a longer distance compared to the negative polarity wave. For all three sets of experiments (surface ionization wave discharge over quartz, water and 1-butanol), wave speed and travel distance decreased with pressure. Diffuse, highly reproducible surface ionization wave discharge was also observed over the liquid butanol–saturated butanol vapor interface, as well as over the distilled water–saturated water vapor interface, without buffer gas flow. No significant difference was detected between surface ionization discharges sustained using single-polarity (positive or negative), or alternating polarity high-voltage pulses. Plasma emission images yielded preliminary evidence of charge

  7. Theoretical studies of the work functions of Pd-based bimetallic surfaces

    International Nuclear Information System (INIS)

    Ding, Zhao-Bin; Wu, Feng; Wang, Yue-Chao; Jiang, Hong

    2015-01-01

    Work functions of Pd-based bimetallic surfaces, including mainly M/Pd(111), Pd/M, and Pd/M/Pd(111) (M = 4d transition metals, Cu, Au, and Pt), are studied using density functional theory. We find that the work function of these bimetallic surfaces is significantly different from that of parent metals. Careful analysis based on Bader charges and electron density difference indicates that the variation of the work function in bimetallic surfaces can be mainly attributed to two factors: (1) charge transfer between the two different metals as a result of their different intrinsic electronegativity, and (2) the charge redistribution induced by chemical bonding between the top two layers. The first factor can be related to the contact potential, i.e., the work function difference between two metals in direct contact, and the second factor can be well characterized by the change in the charge spilling out into vacuum. We also find that the variation in the work functions of Pd/M/Pd(111) surfaces correlates very well with the variation of the d-band center of the surface Pd atom. The findings in this work can be used to provide general guidelines to design new bimetallic surfaces with desired electronic properties

  8. X-ray scattering studies of surfaces and interfaces

    International Nuclear Information System (INIS)

    Sanyal, M.K.

    1998-01-01

    Here we shall briefly review the basics and some applications of x-ray specular reflectivity and diffuse scattering techniques. These x-ray scattering techniques are uniquely suited to study of the structure of surfaces and interfaces at atomic resolutions as they are nondestructive and can probe even interfaces which are buried. The study of structure of surfaces and interfaces is not only required in understanding physics in reduced dimensions but is also essential in developing technologically important materials

  9. A Service Member's Self in Transition : A Longitudinal Case Study Analysis

    NARCIS (Netherlands)

    Grimell, Jan

    2017-01-01

    Adopting a narrative approach with a dialogical framework, a longitudinal case study is presented that describes a service member's self in transition from active service into the civilian population. An analysis and interpretation of the case study leads to the hypothesis that if a dominant

  10. Academic Culture and Citizenship in Transitional Societies: Case Studies from China and Hungary

    Science.gov (United States)

    Szelényi, Katalin; Rhoads, Robert A.

    2013-01-01

    Through organizational case studies conducted at Guangdong University of Foreign Studies in China and Central European University in Hungary, this paper examines academic culture and citizenship in societies transitioning from communist to market-driven social and economic structures. The article presents a new model of citizenship, representing…

  11. A Qualitative Study of Characteristics, Competencies, and Strategies of Transition Staff Working with Urban Latino

    Science.gov (United States)

    Munoz-Lorenzo, Omayra

    2012-01-01

    The purpose of this qualitative study was to explore characteristics, competencies, and strategies of transition program employment representatives who attain successful employment outcomes for urban Latino/a youths with disabilities. This study employed in-depth interviewing as a method of data collection. The central research question guiding…

  12. A magnetic resonance study of 3d transition metals and thermal donors in silicon

    International Nuclear Information System (INIS)

    Wezep, D.A. van.

    1986-01-01

    This thesis describes a study of 3d-transition metal impurities in silicon (titanium and iron in particular) and a study of oxygen-related heat-treatment centers in silicon, both carried out mainly by magnetic resonances techniques like EPR and ENDOR. 119 refs.; 31 figs.; 14 tabs

  13. Biomarkers in Czech workers exposed to 1,3-butadiene: a transitional epidemiologic study

    NARCIS (Netherlands)

    Albertini, Richard J.; Srám, Radim J.; Vacek, Pamela M.; Lynch, Jeremiah; Nicklas, Janice A.; van Sittert, Nico J.; Boogaard, Peter J.; Henderson, Rogene F.; Swenberg, James A.; Tates, Ad D.; Ward, Jonathan B.; Wright, Michael; Ammenheuser, Marinel M.; Binkova, Blanka; Blackwell, Walter; de Zwart, Franz A.; Krako, Dean; Krone, Jennifer; Megens, Hendricus; Musilová, Petra; Rajská, Gabriela; Ranasinghe, Asoka; Rosenblatt, Judah I.; Rössner, Pavel; Rubes, Jiri; Sullivan, Linda; Upton, Patricia; Zwinderman, Ailko H.

    2003-01-01

    A multiinstitutional, transitional epidemiologic study was conducted with a worker population in the Czech Republic to evaluate the utility of a continuum of non-disease biological responses as biomarkers of exposure to 1,3-butadiene (BD)* in an industrial setting. The study site included two BD

  14. Theoretical studies of growth processes and electronic properties of nanostructures on surfaces

    Science.gov (United States)

    Mo, Yina

    Low dimensional nanostructures have been of particular interest because of their potential applications in both theoretical studies and industrial use. Although great efforts have been put into obtaining better understanding of the formation and properties of these materials, many questions still remain unanswered. This thesis work has focused on theoretical studies of (1) the growth processes of magnetic nanowires on transition-metal surfaces, (2) the dynamics of pentacene thin-film growth and island structures on inert surfaces, and (3) our proposal of a new type of semiconducting nanotube. In the first study, we elucidated a novel and intriguing kinetic pathway for the formation of Fe nanowires on the upper edge of a monatomic-layer-high step on Cu(111) using first-principles calculations. The identification of a hidden fundamental Fe basal line within the Cu steps prior to the formation of the apparent upper step edge Fe wire produces a totally different view of step-decorating wire structures and offers new possibilities for the study of the properties of these wires. Subsequent experiments with scanning tunneling microscopy unambiguously established the essential role of embedded Fe atoms as precursors to monatomic wire growth. A more general study of adatom behavior near transition-metal step edges illustrated a systematic trend in the adatom energetics and kinetics, resulted from the electronic interactions between the adatom and the surfaces. This work opens the possibility of controlled manufacturing of one-dimensional nanowires. In the second study, we investigated pentacene thin-films on H-diamond, H-silica and OH-silica surfaces via force field molecular dynamics simulations. Pentacene island structures on these surfaces were identified and found to have a 90-degree rotation relative to the structure proposed by some experimental groups. Our work may facilitate the design and control of experimental pentacene thin-film growth, and thus the development

  15. Study of shape phase transition at N = 60 in Zr and Pd

    International Nuclear Information System (INIS)

    Kumar, Rajesh; Gupta, J.B.; Sharma, S.

    2011-01-01

    The level structure of Zr, Mo, Ru and Pd in the region of A = 100 has been of much interest recently. At N=60 the level structure varies rather sharply. Below N = 60 the structure is vibrator like and at N > 60, the structure corresponds to a rotor. The use of single term expression for level energies in the study of shape phase transition at N=60 is illustrated here. The much sharper shape transition of Zr and slower for Pd is exhibited. There being only two free parameters one can study the nuclei with fewer levels as well

  16. Atmospheric Surface Layer Characterization: Preliminary Desert Lapse Rate Study 22-25 August 2000

    National Research Council Canada - National Science Library

    Elliott, Doyle

    2003-01-01

    Results of the August 2000 Desert Lapse Rate (DLR) Experiment are presented. The DLR Experiment was performed to document the night-to-day transition effects on the desert Atmospheric Surface Layer (ASL...

  17. Surface Propensity of Atmospherically Relevant Amino Acids Studied by XPS.

    Science.gov (United States)

    Mocellin, Alexandra; Gomes, Anderson Herbert de Abreu; Araújo, Oscar Cardoso; de Brito, Arnaldo Naves; Björneholm, Olle

    2017-04-27

    Amino acids constitute an important fraction of the water-soluble organic nitrogen (WSON) compounds in aerosols and are involved in many processes in the atmosphere. In this work, we applied X-ray photoelectron spectroscopy (XPS) to study aqueous solutions of four amino acids, glycine, alanine, valine, and methionine, in their zwitterionic forms. We found that amino acids with hydrophilic side chains and smaller size, GLY and ALA, tend to stay in the bulk of the liquid, while the hydrophobic and bigger amino acids, VAL and MET, are found to concentrate more on the surface. We found experimental evidence that the amino acids have preferential orientation relative to the surface, with the hydrophobic side chain being closer to the surface than the hydrophilic carboxylate group. The observed amino acid surface propensity has implications in atmospheric science as the surface interactions play a central role in cloud droplet formation, and they should be considered in climate models.

  18. Theoretical Study of Energy Levels and Transition Probabilities of Boron Atom

    Science.gov (United States)

    Tian Yi, Zhang; Neng Wu, Zheng

    2009-08-01

    Full Text PDF Though the electrons configuration for boron atom is simple and boron atom has long been of interest for many researchers, the theoretical studies for properties of BI are not systematic, there are only few results reported on energy levels of high excited states of boron, and transition measurements are generally restricted to transitions involving ground states and low excited states without considering fine structure effects, provided only multiplet results, values for transitions between high excited states are seldom performed. In this article, by using the scheme of the weakest bound electron potential model theory calculations for energy levels of five series are performed and with the same method we give the transition probabilities between excited states with considering fine structure effects. The comprehensive set of calculations attempted in this paper could be of some value to workers in the field because of the lack of published calculations for the BI systems. The perturbations coming from foreign perturbers are taken into account in studying the energy levels. Good agreement between our results and the accepted values taken from NIST has been obtained. We also reported some values of energy levels and transition probabilities not existing on the NIST data bases.

  19. Chloride ion-dependent surface-enhanced Raman scattering study of biotin on the silver surface

    International Nuclear Information System (INIS)

    Liu Fangfang; Gu Huaimin; Yuan Xiaojuan; Dong Xiao; Lin Yue

    2011-01-01

    In the present paper, the surface enhanced Raman scattering (SERS) technique was employed to study the SERS spectra of biotin molecules formed on the silver surface. The adsorption geometries of biotin molecules on the silver surface were analyzed based on the SERS data. It can be found that most vibration modes show a Raman shift in silver sol after the addition of sodium chloride solution. In addition, The Raman signals of biotin become weaker and weaker with the increase of the concentration of sodium chloride. This may be due to that the interaction between chloride ions and silver particles is stronger than the interaction between biotin molecules and silver particles. When the concentration of sodium chloride in silver colloid is higher than 0.05mol/L, superfluous chloride ions may form an absorption layer so that biotin can not be adsorbed on silver surface directly. The changes in intensity and profile shape in the SERS spectra suggest different adsorption behavior and surface-coverage of biotin on silver surface. The SERS spectra of biotin suggest that the contribution of the charge transfer mechanism to SERS may be dominant.

  20. Surface science study of selective ethylene epoxidation catalyzed by the Ag(110) surface: Structural sensitivity

    International Nuclear Information System (INIS)

    Campbell, C.T.

    1984-01-01

    The selective oxidation of ethylene to ethylene epoxide (C 2 H 4 +1/2O 2 →C 2 H 4 O) over Ag is the simplest example of kinetically controlled, selective heterogeneous catalysis. We have studied the steady-state kinetics and selectivity of this reaction for the first time on a clean, well-characterized Ag(110) surface by using a special apparatus which allows rapid (approx.20 s) transfer between a high-pressure catalytic microreactor and an ultrahigh vacuum surface analysis (AES, XPS, LEED, TDS) chamber. The effects of temperature and reactant pressures upon the rate and selectivity are virtually identical on Ag(110) and supported, high surface area Ag catalysts. The absolute specific rate (per Ag surface atom) is, however, some 100-fold higher for Ag(110) than for high surface area catalysts. This is related to the well-known structural sensitivity of this reaction. It is postulated that a small percentage of (110) planes (or [110]-like sites) are responsible for most of the catalytic activity of high surface area catalysts. The high activity of the (110) plane is attributed to its high sticking probability for dissociative oxygen adsorption, since the rate of ethylene epoxidation is shown in a related work [Ref. 1: C. T. Campbell and M. T. Paffett, Surf. Sci. (in press)] to be proportional to the coverage of atomically adsorbed oxygen at constant temperature and ethylene pressure