The Surface Reactions of Ethanol over UO2(100) Thin Film

KAUST Repository

Senanayake, Sanjaya D.

2015-10-08

The study of the reactions of oxygenates on well-defined oxide surfaces is important for the fundamental understanding of heterogeneous chemical pathways that are influenced by atomic geometry, electronic structure and chemical composition. In this work, an ordered uranium oxide thin film surface terminated in the (100) orientation is prepared on a LaAlO3 substrate and studied for its reactivity with a C-2 oxygenate, ethanol (CH3CH2OH). With the use of synchrotron X-ray photoelectron spectroscopy (XPS), we have probed the adsorption and desorption processes observed in the valence band, C1s, O1s and U4f to investigate the bonding mode, surface composition, electronic structure and probable chemical changes to the stoichiometric-UO2(100) [smooth-UO2(100)] and Ar+-sputtered UO2(100) [rough-UO2(100)] surfaces. Unlike UO2(111) single crystal and UO2 thin film, Ar-ion sputtering of this UO2(100) did not result in noticeable reduction of U cations. The ethanol molecule has C-C, C-H, C-O and O-H bonds, and readily donates the hydroxyl H while interacting strongly with the UO2 surfaces. Upon ethanol adsorption (saturation occurred at 0.5 ML), only ethoxy (CH3CH2O-) species is formed on smooth-UO2(100) whereas initially formed ethoxy species are partially oxidized to surface acetate (CH3COO-) on the Ar+-sputtered UO2(100) surface. All ethoxy and acetate species are removed from the surface between 600 and 700 K.

The Surface Reactions of Ethanol over UO2(100) Thin Film

KAUST Repository

Senanayake, Sanjaya D.; Mudiyanselage, Kumudu; Burrell, Anthony K; Sadowski, Jerzy T.; Idriss, Hicham

2015-01-01

The study of the reactions of oxygenates on well-defined oxide surfaces is important for the fundamental understanding of heterogeneous chemical pathways that are influenced by atomic geometry, electronic structure and chemical composition. In this work, an ordered uranium oxide thin film surface terminated in the (100) orientation is prepared on a LaAlO3 substrate and studied for its reactivity with a C-2 oxygenate, ethanol (CH3CH2OH). With the use of synchrotron X-ray photoelectron spectroscopy (XPS), we have probed the adsorption and desorption processes observed in the valence band, C1s, O1s and U4f to investigate the bonding mode, surface composition, electronic structure and probable chemical changes to the stoichiometric-UO2(100) [smooth-UO2(100)] and Ar+-sputtered UO2(100) [rough-UO2(100)] surfaces. Unlike UO2(111) single crystal and UO2 thin film, Ar-ion sputtering of this UO2(100) did not result in noticeable reduction of U cations. The ethanol molecule has C-C, C-H, C-O and O-H bonds, and readily donates the hydroxyl H while interacting strongly with the UO2 surfaces. Upon ethanol adsorption (saturation occurred at 0.5 ML), only ethoxy (CH3CH2O-) species is formed on smooth-UO2(100) whereas initially formed ethoxy species are partially oxidized to surface acetate (CH3COO-) on the Ar+-sputtered UO2(100) surface. All ethoxy and acetate species are removed from the surface between 600 and 700 K.

Low-Intensity Sprint Training With Blood Flow Restriction Improves 100-m Dash.

Science.gov (United States)

Behringer, Michael; Behlau, Daniel; Montag, Johannes C K; McCourt, Molly L; Mester, Joachim

2017-09-01

Behringer, M, Behlau, D, Montag, JCK, McCourt, ML, and Mester, J. Low-intensity sprint training with blood flow restriction improves 100-m dash. J Strength Cond Res 31(9): 2462-2472, 2017-We investigated the effects of practical blood flow restriction (pBFR) of leg muscles during sprint training on the 100-m dash time in well-trained sport students. Participants performed 6 × 100-m sprints at 60-70% of their maximal 100-m sprinting speed twice a week for 6 weeks, either with (intervention group [IG]; n = 12) or without pBFR (control group [CG]; n = 12). The 100-m dash time significantly decreased more in the IG (-0.38 ± 0.24 seconds) than in the CG (-0.16 ± 0.17 seconds). The muscle thickness of the rectus femoris increased only in the IG, whereas no group-by-time interactions were found for the muscle thickness of the biceps femoris and the biceps brachii. The maximal isometric force, measured using a leg press, did not change in either group. However, the rate of force development improved in the IG. Growth hormone, testosterone, insulin-like growth factor 1, and cortisol concentrations did not significantly differ between both groups at any measurement time point (pre, 1 minute, 20 minutes, 120 minutes, and 24 hours after the 6 all-out sprints of the first training session). The muscle damage marker h-FABP increased significantly more in the CG than in the IG. The pBFR improved the 100-m dash time significantly more than low-intensity sprint interval training alone. Other noted benefits of training with pBFR were a decreased level of muscle damage, a greater increase of the rectus femoris muscle thickness, and a higher rate of force development. However, the tested hormones were unable to explain the additional beneficial effects.

Positron probes of the Ge(1 0 0) surface: The effects of surface reconstructions and electron-positron correlations on positron trapping and annihilation characteristics

International Nuclear Information System (INIS)

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

2007-01-01

Positron annihilation induced Auger electron spectroscopy (PAES) has been applied to study the Ge(1 0 0) surface. The high-resolution PAES spectrum from the Ge(1 0 0) surface displays several strong Auger peaks corresponding to M 4,5 N 1 N 2,3 , M 2,3 M 4,5 M 4,5 , M 2,3 M 4,5 V and M 1 M 4,5 M 4,5 Auger transitions. The integrated peak intensities of Auger transitions are used to obtain experimental annihilation probabilities for the Ge 3d and 3p core level electrons. These experimental results are analyzed by performing calculations of positron surface states and annihilation characteristics of surface trapped positrons with relevant Ge core-level electrons for the non-reconstructed and reconstructed Ge(1 0 0)-p(2 x 1), Ge(1 0 0)-p(2 x 2) and Ge(1 0 0)-c(4 x 2) surfaces. It is found that the positron surface state wave function extends into the Ge lattice in the regions where atoms are displaced from their ideal terminated positions due to reconstructions. Estimates of the positron binding energy and the positron annihilation characteristics reveal their sensitivity to the specific atomic structure of the topmost layers of Ge(1 0 0). A comparison with PAES data reveals an agreement with theoretical core annihilation probabilities for the Auger transitions considered

Positron probes of the Ge(1 0 0) surface: The effects of surface reconstructions and electron-positron correlations on positron trapping and annihilation characteristics

Energy Technology Data Exchange (ETDEWEB)

Fazleev, N.G. [Department of Physics, University of Texas at Arlington, Box 19059, Arlington, TX 76019-0059 (United States) and Department of Physics, Kazan State University, Kazan 420008 (Russian Federation)]. E-mail: Fazleev@uta.edu; Jung, E. [Department of Physics, University of Texas at Arlington, Box 19059, Arlington, TX 76019-0059 (United States); Weiss, A.H. [Department of Physics, University of Texas at Arlington, Box 19059, Arlington, TX 76019-0059 (United States)

2007-08-15

Positron annihilation induced Auger electron spectroscopy (PAES) has been applied to study the Ge(1 0 0) surface. The high-resolution PAES spectrum from the Ge(1 0 0) surface displays several strong Auger peaks corresponding to M{sub 4,5}N{sub 1}N{sub 2,3}, M{sub 2,3}M{sub 4,5}M{sub 4,5}, M{sub 2,3}M{sub 4,5}V and M{sub 1}M{sub 4,5}M{sub 4,5} Auger transitions. The integrated peak intensities of Auger transitions are used to obtain experimental annihilation probabilities for the Ge 3d and 3p core level electrons. These experimental results are analyzed by performing calculations of positron surface states and annihilation characteristics of surface trapped positrons with relevant Ge core-level electrons for the non-reconstructed and reconstructed Ge(1 0 0)-p(2 x 1), Ge(1 0 0)-p(2 x 2) and Ge(1 0 0)-c(4 x 2) surfaces. It is found that the positron surface state wave function extends into the Ge lattice in the regions where atoms are displaced from their ideal terminated positions due to reconstructions. Estimates of the positron binding energy and the positron annihilation characteristics reveal their sensitivity to the specific atomic structure of the topmost layers of Ge(1 0 0). A comparison with PAES data reveals an agreement with theoretical core annihilation probabilities for the Auger transitions considered.

Ultra-Compact 100 × 100 μm2 Footprint Hybrid Device with Spin-Valve Nanosensors

Directory of Open Access Journals (Sweden)

Diana C. Leitao

2015-12-01

Full Text Available Magnetic field mapping with micrometric spatial resolution and high sensitivity is a challenging application, and the technological solutions are usually based on large area devices integrating discrete magnetic flux guide elements. In this work we demonstrate a high performance hybrid device with improved field sensitivity levels and small footprint, consisting of a ultra-compact 2D design where nanometric spin valve sensors are inserted within the gap of thin-film magnetic flux concentrators. Pole-sensor distances down to 400 nm are demonstrated using nanofabrication techniques combined with an optimized liftoff process. These 100 × 100 μm 2 pixel sensors can be integrated in modular devices for surface mapping without moving parts.

Effect of surface characteristics on diffuse reflection radiation at lambda=0. 40. mu. m

Energy Technology Data Exchange (ETDEWEB)

Takashima, T [Atmospheric Environment Service, Downsview, Ontario (Canada)

1976-08-01

The diffuse radiation in the upward direction at the top and at an internal level of an inhomogeneous atmosphere is computed at lambda=0.40 ..mu..m. The surface is assumed to reflect light in accordance with a hybrid mode of a diffuse and specular reflector. The objective is to estimate the effect of underlying surface characteristics in terms of the diffuse radiation field. By making use of these results, accuracy in monitoring the atmospheric aerosols would be increased for the use of remote sensing satellite techniques. Junge power law (..gamma..*=3) is adopted for the size distribution of aerosols (1963), while the data given by McClatchy et al. (1971) is used for the number density of aerosols with height distribution. It is noted from the computations that the diffuse reflection radiation is affected by the surface characteristics, even if the albedo of the surface is a fixed constant and very small.

Oxidation of hydrogen terminated Ge(1 0 0) surface in the presence of iodine in methanol

International Nuclear Information System (INIS)

Lee, Younghwan; Park, Kibyung; Lim, Sangwoo

2008-01-01

Surface reaction on Ge(1 0 0) in liquid methanol (MeOH) was systematically studied. In particular, the characteristics of the Ge surface in the presence of iodine (I 2 ) in MeOH were investigated. MeOH treatment of the Ge surface in the presence of 0.05 or 0.005 mM of I 2 exhibited a similar result to that without I 2 , which produces a GeO x -dominant oxide structure. However, when the concentration of I 2 in MeOH increased to 0.5 mM, Ge surface revealed a GeO 2 -dominant oxide structure. Therefore, it is believed that the addition of enough I 2 in MeOH modifies the Ge oxidation mechanism. Hydroxide produced by the reaction between MeOH and the iodine radical may oxidize the Ge surface to form a Ge-O layer. Because MeOH is greatly consumed by chain and series reactions when I 2 concentration is high, a GeO 2 structure is not etched and a GeO 2 -dominant oxide structure is obtained with the addition of 0.5 mM I 2 in MeOH. The modified oxide layer prepared in MeOH with 0.5 mM I 2 exhibited an atomically smoother surface compared to a pure MeOH- or H 2 O 2 -treated Ge surface and a much thinner oxide layer than H 2 O 2 treatment.

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

Energy Technology Data Exchange (ETDEWEB)

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

2013-04-19

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

Improve electrochemical performance of CeO2 surface modification LiNi0.80Co0.15Al0.05O2 cathode material

Science.gov (United States)

Xia, Shubiao; Zhang, Yingjie; Dong, Peng; Zhang, Yannan

2014-06-01

Lithium ion battery cathode material LiNi0.8Co0.15Al0.05O2 cathode has successfully prepared by co-precipitation. CeO2 surface modification has improved LiNi0.80Co0.15Al0.05O2 electrochemical performance use sol-gel method and subsequent heat treatment at 600 °C for 5 h. Different to other conventional coating material, CeO2 coating layer can not only inhibit the reaction of the electrode and the electrolyte, but also can reduce the impedance of electron transfer due to its high conductivity, and inhibit the production of Ni2+ because of its high oxidation. The surface-modified and pristine LiNi0.80Co0.15Al0.05O2 powders are characterized by XRD, SEM, TEM, XPS, CV and DSC. When CeO2 coating is 0.02% (mole ratio), contrast to pristine NCA, the CeO2-coated NCA cathode exhibits no decrease in its initial specific capacity of 184 mAh g -1 (at 0.2 C) and excellent capacity retention (86% of its initial capacity at 1 C) between 2.75 and 4.3 V after 100 cycles. The results indicate that the CeO2 surface treatment should be an effective way to improve cycle properties due to CeO2 inhibit the electrodes and the electrolyte side effects.

Homogeneous-inhomogeneous models of Ag x (Ge0.25Se0.75)100-x bulk glasses

International Nuclear Information System (INIS)

Arcondo, B.; Urena, M.A.; Piarristeguy, A.; Pradel, A.; Fontana, M.

2007-01-01

Ge-Se system presents an extensive glass forming composition range even when different metals (Ag, Sb, Bi) are added. In spite that the addition of Ag (up to 30 at%) to Ge-Se does not affect substantially the glass forming tendency, it impacts significantly on the transport properties. (Ge 0.25 Se 0.75 ) 100- x Ag x is a fast ionic conductor with x≥8 at% whereas it is a semiconductor for x 0.25 Se 0.75 ) 100- x Ag x bulk samples. These results appear to sustain this model. However previous structural and thermal studies oppose it. Moessbauer spectrometry on samples (0≤x≤25) containing 0.5 at% of 57 Fe is performed at T≤300 K. The main contribution to the glasses spectra correspond to low spin Fe 2+ in octahedral coordination and high spin Fe 2+ in distorted octahedral environments. The relative population of both sites changes continuously as Ag concentration varies denoting that the change in the transport behavior obeys to a percolation phenomenon. The low temperature results are discussed with the aim to throw light on the controversy about the homogeneity-inhomogeneity of the studied bulk glasses

Surface tiny grain-dependent enhanced rate performance of MoO3 nanobelts with pseudocapacitance contribution for lithium-ion battery anode

Science.gov (United States)

Cao, Liyun; He, Juju; Li, Jiayin; Yan, Jingwen; Huang, Jianfeng; Qi, Ying; Feng, Liangliang

2018-07-01

In order to improve the rate performance of MoO3, a novel MoO3 nanobelt with tiny grains on surface (named as d-MoO3) is fabricated via one-step facile hydrothermal method with citric acid adding, in which citric acid (CA) serves as a weak reductant as well as surface modification agent. When tested as an anode in LIBs, d-MoO3 displays an improved discharge capacity of 787 mAh·g-1 at 0.1 A g-1 over 100 cycles with capacity retention of ∼91% while MoO3 decays to 50 mAh·g-1 in the 100th cycle. Notably, d-MoO3 delivers enhanced rate capability (536 and 370 mAh·g-1 at high rates of 5 and 10 A g-1 respectively). We consider these excellent electrochemical properties of d-MoO3 electrode are associated with the tiny grains on MoO3 surface, which effectively maintains the electrode's structural integrity. Even though d-MoO3 nanobelt suffers from a degree of in-situ pulverization after several cycles, these pulverized active particles can still maintain stable electrochemical contact and are highly exposed to electrolyte, realizing ultrahigh e-/Li+ diffusion kinetics. In addition, part extrinsic pseudocapacitance contribution to the Li+ storage also explains the high-rate performance. Combining all these merits, d-MoO3 is potentially a high-energy, high-power and well-stable anode material for Li ion batteries (LIBs).

A 18 m 2 cylindrical tracking detector made of 2.6 m long, stereo mylar straw tubes with 100 μm resolution

Science.gov (United States)

Benussi, L.; Bertani, M.; Bianco, S.; Fabbri, F. L.; Gianotti, P.; Giardoni, M.; Ghezzo, A.; Guaraldo, C.; Lanaro, A.; Locchi, P.; Lu, J.; Lucherini, V.; Mecozzi, A.; Pace, E.; Passamonti, L.; Qaisar, N.; Ricciardi, A.; Sarwar, S.; Serdyouk, V.; Trasatti, L.; Volkov, A.; Zia, A.

1998-12-01

An array of 2424 2.6 m-long, 15 mm-diameter mylar straw tubes, arranged in two axial and four stereo layers, has been assembled. The array covers a cylindrical tracking surface of 18 m 2 and provides coordinate measurement in the drift direction and along the wire. A correction of the systematic effects which are introduced by gravitational sag and electrostatics, thus dominating the detector performance especially with long straws, allows to determine wire position from drift-time distribution. The correction has been applied to reach a space resolution of 40 μm with DME, 100 μm with Ar+C 2H 6, and 100-200 μm with CO 2. Such a resolution is the best ever obtained for straws of these dimensions. A study of the gas leakage for the straw system has been performed, and results are reported. The array is being commissioned as a subdetector of the FINUDA spectrometer, and tracking performances are being studied with cosmic rays.

A 18 m2 cylindrical tracking detector made of 2,6 m long, stereo mylar straw tubes with 100 μm resolution

International Nuclear Information System (INIS)

Benussi, L.; Bertani, M.; Bianco, S.; Fabbri, F.L.; Gianotti, P.; Giardoni, M.; Ghezzo, A.; Guaraldo, C.; Lanaro, A.; Locchi, P.; Lu, J.; Lucherini, V.; Mecozzi, A.; Pace, E.; Passamonti, L.; Qaisar, N.; Ricciardi, A.; Sarwar, S.; Serdyouk, V.; Trasatti, L.; Volkov, A.; Zia, A.

1998-01-01

An array of 2424 2.6 m-long, 15 mm-diameter mylar straw tubes, arranged in two axial and four stereo layers, has been assembled. The array covers a cylindrical tracking surface of 18 m 2 and provides coordinate measurement in the drift direction and along the wire. An under-standing of the systematic effects which are introduced by gravitational sag and electrostatics, thus dominating the detector performance especially with long straws, allows to determine wire position from drift-time distribution. The correction has been applied to reach a space resolution of 40 μm with DME, 100 μm with Ar + C 2 H 6 , and 100-200 μm with CO 2 . Such a resolution is the best ever obtained for straws of these dimensions. A study of the gas leakage for the straw system has been performed, and results are reported. The array is being commissioned as a subdetector of the FINUDA spectrometer, and tracking performances are being studied with cosmic rays. (author)

Preparation of hcp-Ni(112-bar 0) epitaxial thin films on Au(100) single-crystal underlayers

International Nuclear Information System (INIS)

Ohtake, Mitsuru; Tanaka, Takahiro; Futamoto, Masaaki; Kirino, Fumiyoshi

2010-01-01

Ni epitaxial films with an hcp structure are successfully obtained on Au(100) single-crystal underlayers formed on MgO(100) substrates at temperatures lower than 300 0 C by molecular beam epitaxy. With increasing the substrate temperature, the volume ratio of more stable fcc phase inc r eases in the film. The Ni film prepared at 100 0 C consists primarily of hcp crystal with the (112-bar 0) plane parallel to the substrate surface coexisting with a small amount of fcc-Ni(100) crystal. The lattice constant of hcp-Ni crystal is determined as a = 0.249 nm, c = 0.398 nm, and c/a = 1.60.

SURFACE SITES AND MOBILITIES OF IN ATOMS ON A STEPPED CU(100) SURFACE STUDIED AT LOW COVERAGE

NARCIS (Netherlands)

BREEMAN, M; DORENBOS, G; BOERMA, DO

The various surface sites of In atoms deposited to a coverage of 0.013 monolayer (ML) onto a stepped Cu(100) surface were determined with low-energy ion scattering (LEIS) as a function of deposition temperature. From the fractions of In atoms occupying different sites, observed in the temperature

Preparation of hcp-Ni(112-bar 0) epitaxial thin films on Au(100) single-crystal underlayers

Energy Technology Data Exchange (ETDEWEB)

Ohtake, Mitsuru; Tanaka, Takahiro; Futamoto, Masaaki [Faculty of Science and Engineering, Chuo University, 1-13-27 Kasuga, Bunkyo-ku, Tokyo 112-8551 (Japan); Kirino, Fumiyoshi, E-mail: ohtake@futamoto.elect.chuo-u.ac.j [Graduate School of Fine Arts, Tokyo National University of Fine Arts and Music, 12-8 Ueno-koen, Taito-ku, Tokyo 110-8714 (Japan)

2010-01-01

Ni epitaxial films with an hcp structure are successfully obtained on Au(100) single-crystal underlayers formed on MgO(100) substrates at temperatures lower than 300 {sup 0}C by molecular beam epitaxy. With increasing the substrate temperature, the volume ratio of more stable fcc phase inc{sub r}eases in the film. The Ni film prepared at 100 {sup 0}C consists primarily of hcp crystal with the (112-bar 0) plane parallel to the substrate surface coexisting with a small amount of fcc-Ni(100) crystal. The lattice constant of hcp-Ni crystal is determined as a = 0.249 nm, c = 0.398 nm, and c/a = 1.60.

Grafting cavitands on the Si(100) surface.

Science.gov (United States)

Condorelli, Guglielmo G; Motta, Alessandro; Favazza, Maria; Fragalà, Ignazio L; Busi, Marco; Menozzi, Edoardo; Dalcanale, Enrico; Cristofolini, Luigi

2006-12-19

Cavitand molecules having double bond terminated alkyl chains and different bridging groups at the upper rim have been grafted on H-terminated Si(100) surface via photochemical hydrosilylation of the double bonds. Pure and mixed monolayers have been obtained from mesitylene solutions of either pure cavitand or cavitand/1-octene mixtures. Angle resolved high-resolution X-ray photoelectron spectroscopy has been used as the main tool for the monolayer characterization. The cavitand decorated surface consists of Si-C bonded layers with the upper rim at the top of the layer. Grafting of pure cavitands leads to not-well-packed layers, which are not able to efficiently passivate the Si(100) surface. By contrast, monolayers obtained from cavitand/1-octene mixtures consist of well-packed layers since they prevent silicon oxidation after aging. AFM measurements showed that these monolayers have a structured topography, with objects protruding from the Si(100) surface with average heights compatible with the expected ones for cavitand molecules.

Macroscopic quantum tunneling in 1 μm Nb junctions below 100mK

International Nuclear Information System (INIS)

Voss, R.F.; Webb, R.A.

1981-01-01

The transition probabilities out of the superconducting state of low current density 1 μm Nb Josephson junctions with capacitance < 0.15 pF have been measured as a function of temperature T down to 3 mK. Below 100 mK the distribution widths become independent of T. Junctions with critical currents that differ by an order of magnitude have the same dependence of relative width on T. The low T results are interpreted in terms of quantum tunneling of the (macroscopic) junction phase. The observed low temperature widths are smaller than expected indicating the necessity of corrections to the simple WKB tunneling rates. (orig.)

First-principles calculation of adsorption of shale gas on CaCO3 (100) surfaces.

Science.gov (United States)

Luo, Qiang; Pan, Yikun; Guo, Ping; Wang, Zhouhua; Wei, Na; Sun, Pengfei; Liu, Yuxiao

2017-06-16

To demonstrate the adsorption strength of shale gas to calcium carbonate in shale matrix, the adsorption of shale gas on CaCO3 (100) surfaces was studied using the first-principles method, which is based on the density functional theory (DFT). The structures and electronic properties of CH4, C2H6, CO2 and N2 molecules were calculated by the generalized gradient approximation (GGA), for a coverage of 1 monolayer (ML). Under the same conditions, the density of states (DOS) of CaCO3 (100) surfaces before and after the adsorption of shale gas molecules at high-symmetry adsorption sites were compared. The results showed that the adsorption energies of CH4, C2H6, CO2 and N2 on CaCO3 (100) surfaces were between 0.2683 eV and -0.7388 eV. When a CH4 molecule was adsorbed at a hollow site and its 2 hydrogen atoms were parallel to the long diagonal (H3) on the CaCO3 (100) surface, it had the most stable adsorption, and the adsorption energy was only -0.4160 eV. The change of adsorption energy of CH4 was no more than 0.0535 eV. Compared with the DOS distribution of CH4 before adsorption, it shifted to the left overall after adsorption. At the same time, the partial density of states (PDOS) curves of CaCO3 (100) surfaces before and after adsorption basically overlapped. This work showed that the adsorption effect of shale gas on calcium carbonate is very weak, and the adsorption is physisorption at the molecular level.

Reactivity of group IV (100) semiconductor surfaces towards organic compounds

Science.gov (United States)

Wang, George T.

The reactions of simple and multifunctional organic compounds with the clean silicon, germanium, and diamond (100)-2 x 1 semiconductor surfaces have been investigated using a combination of multiple internal reflection infrared spectroscopy and quantum chemistry density functional theory calculations. From these studies, an improved understanding of the atomic level reactivity of these semiconductor surfaces has been obtained, along with insights into how to achieve their selective coupling with organics of desired and varied functionality. In addition to the Si(100) and Ge(100) surfaces, our results show that cycloaddition chemistry can also be extended to the diamond (100) surface. At room temperature, 1,3-butadiene was found to form a Diels-Alder product with the diamond (100) surface, as evidenced by isotopic substitution experiments and comparison of the surface adduct with its direct molecular analogue, cyclohexene. The reactions of other classes of molecules in addition to alkenes on the Si(100) and Ge(100) surfaces, including a series of five-membered cyclic amines, were also examined. For tertiary aliphatic amines on Si(100) and both secondary and tertiary aliphatic amines on Ge(100), a majority of the molecules were observed to become stably trapped in dative-bonded precursor states rather than form energetically favorable dissociation products. For pyrrole, aromaticity was found to play a defining role in its reactivity, and a comparison of its molecular and surface reactivity reveals interesting similarities. To probe the factors controlling the selectivity of organic reactions on clean semiconductor surfaces, the adsorption of acetone and a series of unsaturated ketones was also investigated. The reaction of acetone on Ge(100) was found to be under thermodynamic control at room temperature, resulting in the formation of an "ene" product rather than the kinetically favored [2+2] C=O cycloaddition product previously observed on the Si(100) surface. In

Li3V2(PO4)3-coated Li1.17Ni0.2Co0.05Mn0.58O2 as the cathode materials with high rate capability for Lithium ion batteries

International Nuclear Information System (INIS)

Liu, Yi; Huang, Xiao; Qiao, Qiqi; Wang, Yonglong; Ye, Shihai; Gao, Xueping

2014-01-01

In this work, Lithium rich layered oxide Li 1.17 Ni 0.2 Co 0.05 Mn 0.58 O 2 (LNCMO) is prepared and coated with Li 3 V 2 (PO 4 ) 3 (LVP) by a chemical deposition method. The surface modification with LVP is introduced into Li-rich layered oxides LNCMO for the first time. After 100 cycles of charging and discharging at various rates, the Li 3 V 2 (PO 4 ) 3 -coated Li 1.17 Ni 0.2 Co 0.05 Mn 0.58 O 2 (LVP-coated LNCMO) (5 wt%) still provides a large capacity of 261.4 mAh g -1 , much higher than the pristine LNCMO (211.5 mAh g -1 ). At 5 C rate, the LVP-coated LNCMO exhibits a stable cyclic capacity of 153.4 mAh g -1 , higher than 114.1 mAh g -1 of the pristine LNCMO. The electrochemical impedance spectroscopy (EIS) analysis demonstrates the LVP coating layer can suppress interaction between the cathode surface and the electrolyte and enhance the kinetics of lithium-ion diffusion, contributing to the stable cyclic performance with more cyclic capacity as well as at the high current density

Carbon disulfide (CS{sub 2}) adsorption and dissociation on the Cu(100) surface: A quantum chemical study

Energy Technology Data Exchange (ETDEWEB)

Wang, Wenju, E-mail: wangwenju1982@163.com; Fan, Lili; Wang, Guoping, E-mail: wgp1976@163.com

2017-08-31

Highlights: • CS{sub 2}, CS, C and S are strongly chemadsorbed on the Cu(100) surface. • C/S/S, S/CS and CS{sub 2} accord to a decreased adsorption strength on the Cu(100). • The asymmetric model CS{sub 2}(II) is easier to dissociate on the Cu(100) surface. - Abstract: Density functional theory (DFT) is used to examine the adsorption and dissociation of CS{sub 2} on the Cu(100) surface. This study evaluates the adsorption energies and geometries of the species (CS{sub 2}, CS, C and S) adsorption on the Cu(100) surface, as well as that coadsorption of CS and a S atom, and that coadsorption of C atom and two S atoms. The results indicate that the species (CS{sub 2}, CS, C and S) are strongly chemadsorbed on the Cu(100) surface through the C−Cu and/or S−Cu bond with an increased adsorption energy (C/S/S > S/CS > CS{sub 2}). Two pathways for CS{sub 2} dissociation on the Cu(100) surface are constructed, and the energy barrier and reaction energy of each step are calculated. It shows that the dissociated energy barrier of the second C−S bond is 0.25 eV higher than that of the first C−S bond in the pathway 1, but in the pathway 2, the dissociated energy barrier of the second C−S bond is 0.11 eV lower than that of the first C−S bond. Comparing the highest dissociated energy barrier of pathway 1 (0.68 eV) and pathway 2 (0.5 eV), the structure of S/C/S(II) is regarded as a preferable product for the dissociation of CS{sub 2} on the Cu(100) surface.

Effect of a Stepped Si(100) Surface on the Nucleation Process of Ge Islands

Science.gov (United States)

Yesin, M. Yu.; Nikiforov, A. I.; Timofeev, V. A.; Mashanov, V. I.; Tuktamyshev, A. R.; Loshkarev, I. D.; Pchelyakov, O. P.

2018-03-01

Nucleation of Ge islands on a stepped Si(100) surface is studied. It is shown by diffraction of fast electrons that at a temperature of 600°C, constant flux of Si, and deposition rate of 0.652 Å/s, a series of the 1×2 superstructure reflections completely disappears, if the Si (100) substrate deviated by an angle of 0.35° to the (111) face is preliminarily heated to 1000°C. The disappearance of the 1×2 superstructure reflexes is due to the transition from the surface with monoatomic steps to that with diatomic ones. Investigations of the Ge islands' growth were carried out on the Si(100) surface preliminarily annealed at temperatures of 800 and 1000°C. It is shown that the islands tend to nucleate at the step edges.

M1 and M2 Monocytes in Rheumatoid Arthritis: A Contribution of Imbalance of M1/M2 Monocytes to Osteoclastogenesis

Directory of Open Access Journals (Sweden)

Shoichi Fukui

2018-01-01

Full Text Available ObjectivesWe investigated the relationships among M1 monocytes, M2 monocytes, osteoclast (OC differentiation ability, and clinical characteristics in patients with rheumatoid arthritis (RA.MethodsPeripheral blood mononuclear cells (PBMCs were isolated from RA patients and healthy donors, and we then investigated the number of M1 monocytes or M2 monocytes by fluorescence-activated cell sorting. We also obtained and cultured CD14-positive cells from PBMCs from RA patients and healthy donors to investigate OC differentiation in vitro.ResultsForty RA patients and 20 healthy donors were included. Twenty-two patients (55% were anticitrullinated protein antibody (ACPA positive. The median M1/M2 ratio was 0.59 (0.31–1.11, interquartile range. There were no significant differences between the RA patients and healthy donors. There was a positive correlation between the M1/M2 ratio and the differentiated OC number in vitro in RA patients (ρ = 0.81, p < 0.001. The ACPA-positive patients had significantly higher M1/M2 ratios in vivo (p = 0.028 and significantly greater numbers of OCs in vitro (p = 0.005 than the ACPA-negative patients. Multivariable regression analysis revealed that the M1/M2 ratio was the sole significant contribution factor to in vitro osteoclastogenesis. RA patients with M1/M2 ratios >1 (having relatively more M1 monocytes had higher C-reactive protein and erythrocyte sedimentation rates than RA patients with M1/M2 ratios ≤1. M1-dominant monocytes in vitro produced higher concentrations of interleukin-6 upon stimulation with lipopolysaccharide than M2 monocytes.ConclusionM1/M2 monocytes imbalance strongly contributes to osteoclastogenesis of RA patients. Our findings cast M1 and M2 monocyte subsets in a new light as a new target of treatments for RA to prevent progression of osteoclastic bone destruction.

First principles study of NH3 molecular adsorption on LiH (100) surfaces

International Nuclear Information System (INIS)

Lu Xiaoxia; Chen Yuhong; Dong Xiao

2012-01-01

The adsorption of NH 3 on LiH (100) crystal surfaces was studied by first principles method. The preferred adsorption sites, adsorption energy, dissociation energy and electronic structure of the LiH (100)/NH 3 systems were calculated separately. It is found that chemical adsorption happened mainly when NH 3 molecules are on the LiH (100) crystal surfaces. When NH 3 is adsorbed on the Li top site, NH 2 is formed on the LiH (100) crystal surfaces after loss of H atom, the calculated adsorption energy, 0.511 eV, belongs to strong chemical adsorption, then the interaction is strongest. The interaction between NH 2 and the neighboring Li, H are ionic. The covalent bonds are formed between N and H atoms in NH 2 . One H 2 molecule is formed by another H atom in NH 3 and H atom from LiH (100) crystal sur- faces. The covalent bonds are formed between H and H atoms in H 2 . (authors)

Studies of Oxidation of the Cu(100) Surface Using Low Energy Positrons

International Nuclear Information System (INIS)

Fazleev, N. G.; Maddox, W. B.; Nadesalingam, M.; Rajeshwar, K.; Weiss, A. H.

2009-01-01

Changes in the surface of an oxidized Cu(100) single crystal resulting from vacuum annealing have been investigated using positron annihilation induced Auger electron spectroscopy (PAES). PAES measurements show a large increase in the intensity of the positron annihilation induced Cu M 2,3 VV Auger peak as the sample is subjected to a series of isochronal anneals in vacuum up to annealing temperature 300 deg. C. The intensity then decreases monotonically as the annealing temperature is increased to ∼600 deg. C. Experimental PAES results are analyzed by performing calculations of positron surface states and annihilation probabilities of surface-trapped positrons with relevant core electrons taking into account the charge redistribution at the surface, surface reconstructions, and electron-positron correlations effects. Possible explanation for the observed behavior of the intensity of positron annihilation induced Cu M 2,3 VV Auger peak with changes of the annealing temperature is proposed.

Interaction of submonolayer Bi films with the Si(100) surface

International Nuclear Information System (INIS)

Goryachko, A.M.; Melnik, P.V.; Nakhodkin, M.G.

1999-01-01

Scanning tunneling microscopy and Auger electron spectroscopy were used to investigate interaction of submonolayer Bi films with the Si(100)-2x1 surface. Ultra small Bi amounts (≤ 0.15ML) do not form ordered structures, if deposited at room temperature. Annealing at 400 degree C causes Bi to coalesce into small islands of the densely packed 2x1 phase. Simultaneously, vacancy clusters are produced in the substrate, which remain after desorption of Bi at 600 degree C. In contrast, room temperature deposition and thermal desorption of larger Bi amounts (≥ 0.25 ML) produces vacancies grouped into lines. Further annealing of such a substrate in the temperature range of 600 degree C ≤ T ≤ 750 degree C causes the phase transition between the Si(100)-2xn and Si(100)-c(4x4)

Molecular-scale shear response of the organic semiconductor β -DBDCS (100) surface

Science.gov (United States)

Álvarez-Asencio, Rubén; Moreno-Ramírez, Jorge S.; Pimentel, Carlos; Casado, Santiago; Matta, Micaela; Gierschner, Johannes; Muccioli, Luca; Yoon, Seong-Jun; Varghese, Shinto; Park, Soo Young; Gnecco, Enrico; Pina, Carlos M.

2017-09-01

In this work we present friction-force microscopy (FFM) lattice-resolved images acquired on the (100) facet of the semiconductor organic oligomer (2 Z ,2'Z )-3 , 3' -(1,4-phenylene)bis(2-(4-butoxyphenyl)acrylonitrile) (β -DBDCS) crystal in water at room temperature. Stick-slip contrast, lateral contact stiffness, and friction forces are found to depend strongly on the sliding direction due to the anisotropic packing of the molecular chains forming the crystal surface along the [010] and [001] directions. The anisotropy also causes the maximum value of the normal force applicable before wearing to increase by a factor of 3 when the scan is performed along the [001] direction on the (100) face. Altogether, our results contribute to achieving a better understanding of the molecular origin of friction anisotropy on soft crystalline surfaces, which has been often hypothesized but rarely investigated in the literature.

Piezoelectric properties and diffusion phase transition around PPT of La-doped (Na{sub 0.52}K{sub 0.44}Li{sub 0.04}) Nb{sub 0.8}Ta{sub 0.2}O{sub 3} lead-free piezoelectric ceramics

Energy Technology Data Exchange (ETDEWEB)

Yang, Wenlong, E-mail: yangwenlong1983@163.com; Wang, Li; Li, Haidong; Han, Junsheng; Xiu, Hanjiang; Zhou, Zhongxiang

2016-10-01

Lead-free ceramics (Na{sub 0.52}K{sub 0.44}Li{sub 0.04}){sub 1−3x}La{sub x}Nb{sub 0.8}Ta{sub 0.2}O{sub 3} (KNLNT-Lax, x=0.00, 0.25, 0.5, 0.75, 1.00, 1.25 mol%) as non-polluting materials were prepared by solid state reaction method. The structure, piezoelectric proprieties and temperature stability of KNLNT ceramic with different La doping concentrations were investigated. The results show a transition from orthorhombic-tetragonal mix phase to tetragonal single phase with the variation of La{sup 3+} concentrations. The SEM micrographs of surface and fractured surface show a dense microstructure with few micropores. The La-doped KNLTN ceramic will be an alternative candidate contributes to excellent piezoelectric properties, which are found in the 0.75 mol% La-doped KNLNT ceramics, with d{sub 33}=215pC/N, k{sub p}=42.8%and Q{sub m}=89. It has been remarkably improved that the temperature stability of KNLTN-Lax piezoelectric properties at room temperature, and the dielectric relaxation can be observed obviously. The mechanism of La doping was analyzed in terms of valence compensation and polymorphic phase transition (PPT) diffusion. The orthorhombic-tetragonal phase transition around room temperature and the relaxation transition were considered contributing to the excellent piezoelectric performance and improved temperature stability of La{sup 3+}-doped KNLTN.

Separation of Cr(III) from Cr(VI) by Triton X-100 cerium(IV) phosphate as a surface active ion exchanger

International Nuclear Information System (INIS)

El-Azony, K.M.; Ismail Aydia, M.; El-Mohty, A.A.

2011-01-01

Triton X-100 cerium(IV) phosphate (TX-100CeP) was synthesized and characterized by using IR, X-ray, TGA/DT and the elemental analysis. The chemical stability of TX-100CeP versus the different concentrations of HCl acid was studied before and after its exposure to the radiation dose (30 K Gray). The effect of HCl concentration on separation of Cr(III) from Cr(VI) by using TX-100CeP as surface active ion exchanger was also studied. A novel method was achieved for the quantifying of Cr(III) and Cr(VI) ions by using the high-performance liquid chromatography (HPLC) at wavelength 650 nm, a stationary phase consists of reversed phase column (Nucleosil phenyl column; 250 x 4.6 mm, 5 μm), and a mobile phase consists of 0.001 M di-(2-ethylhexyl) phosphoric acid (DEHPA) in methanol:water (70:30 v/v). The retention times were 7.0 and 8.5 min, for the Cr(III) and Cr(VI), respectively. The exchange capacity of Cr(III) was quantified (2.1 meq/g) onto the TX-100CeP. (author)

Towards 100 Gbps over 100m MMF using a 850nm VCSEL

DEFF Research Database (Denmark)

Iglesias Olmedo, Miguel; Tatarczak, Anna; Zuo, Tianjian

2014-01-01

Employing MultiCAP signaling, successful 70.4 Gbps transmission over 100m of OM3 MMF using off-the-shelf 850 nm VCSEL with 10.1 GHz 3-dB bandwidth is experimentally demonstrated indicating the feasibility of achieving 100 Gbps with a single 25 GHz VCSEL. © 2014 OSA....

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.

Surface geometry of BaO on W(100): A surface-extended x-ray-absorption fine-structure study

International Nuclear Information System (INIS)

Shih, A.; Hor, C.; Elam, W.; Kirkland, J.; Mueller, D.

1991-01-01

A surface-extended x-ray-absorption fine-structure study of ordered monolayers of coadsorbed barium and oxygen on a single-crystal W(100) surface is described. A (√2 x √2 )R45 degree structure with a stoichiometric barium-to-oxygen ratio, and a (2 √2 x √2 )R45 degree structure with a nearly 1:2 barium-to-oxygen atomic ratio both form on W(100). The surface-extended x-ray-absorption fine-structure results indicate that all the barium and oxygen atoms are nearly coplanar in the (√2 x √2 )R45 degree overlayer. The Ba-to-O distance in this overlayer is 3.20 ±0.05 A and β=82 degree ±5 degree, where β is the angle between the Ba-O internuclear axis and the surface normal. For the (2 √2 x √2 )R45 degree overlayer, there are two types of oxygen sites. Oxygen atoms nearly coplanar with the barium atoms are also present in these films with a Ba-to-O distance of 3.27±0.05 A and β=75±4 degree. Additional oxygen atoms lie outside the barium plane at a distance 2.03±0.05 A and β=23±10 degree from the nearest barium atoms

Diffusion of N adatoms on the Fe(100) surface

DEFF Research Database (Denmark)

Pedersen, M. Ø.; Österlund, L.; Mortensen, Jens Jørgen

2000-01-01

The diffusion of individual N adatoms on Fe(100) has been studied using scanning tunneling microscopy and ab initio density functional theory (DFT) calculations. The measured diffusion barrier for isolated N adatoms is E-d = (0.92 +/- 0.04) eV, with a prefactor of nu(0) = 4.3 x 10(12) s(-1), which...... is in quantitative agreement with the DFT calculations. Thr; diffusion is strongly coupled to lattice distortions. and. as a consequence, the presence of other N adatoms introduces an anisotropy in the diffusion. Based on experimentally determined values of the diffusion barriers and adsorbate......-adsorbate: interactions, the potential energy surface experienced by a N adatom is determined....

A new analytical potential energy surface for the adsorption systemk CO/Cu(100)

NARCIS (Netherlands)

Marquardt, R.; Cuvelier, F.; Olsen, R.A.; Baerends, E.J.; Tremblay, J.C.; Saalfrank, P.

2010-01-01

Electronic structure data and analytical representations of the potential energy surface for the adsorption of carbon monoxide on a crystalline copper Cu(100) substrate are reviewed. It is found that a previously published and widely used analytical hypersurface for this process [J. C. Tully, M.

On the growth mechanisms of polar (100) surfaces of ceria on copper (100)

Science.gov (United States)

Hackl, Johanna; Duchoň, Tomáš; Gottlob, Daniel M.; Cramm, Stefan; Veltruská, Kateřina; Matolín, Vladimír; Nemšák, Slavomír; Schneider, Claus M.

2018-05-01

We present a study of temperature dependent growth of nano-sized ceria islands on a Cu (100) substrate. Low-energy electron microscopy, micro-electron diffraction, X-ray absorption spectroscopy, and photoemission electron microscopy are used to determine the morphology, shape, chemical state, and crystal structure of the grown islands. Utilizing real-time observation capabilities, we reveal a three-way interaction between the ceria, substrate, and local oxygen chemical potential. The interaction manifests in the reorientation of terrace boundaries on the Cu (100) substrate, characteristic of the transition between oxidized and metallic surface. The reorientation is initiated at nucleation sites of ceria islands, whose growth direction is influenced by the proximity of the terrace boundaries. The grown ceria islands were identified as fully stoichiometric CeO2 (100) surfaces with a (2 × 2) reconstruction.

Adsorption of nitrogen on W(100): effect of surface disorder on the work function change

International Nuclear Information System (INIS)

Singh-Bofarai, S.P.; King, D.A.

1976-01-01

At room temperature nitrogen adsorption causes the work function of the (100) plane of tungsten to decrease by approximately 0.6 eV, while on all other planes the work function is increased, albeit by as little as 0.03 eV on the (110) plane. Surface disorder can readily be created by the vapour deposition of W onto a clean, annealed W single crystal surface, and in the present work this technique was used to shadow a W field emission tip with disordered W atoms so as to observe the effect of surface disorder on the work function change due to nitrogen adsorption, particularly at the (100) poles of the tip. (Auth.)

Rate equation analysis of hydrogen uptake on Si (100) surfaces

International Nuclear Information System (INIS)

Inanaga, S.; Rahman, F.; Khanom, F.; Namiki, A.

2005-01-01

We have studied the uptake process of H on Si (100) surfaces by means of rate equation analysis. Flowers' quasiequilibrium model for adsorption and desorption of H [M. C. Flowers, N. B. H. Jonathan, A. Morris, and S. Wright, Surf. Sci. 396, 227 (1998)] is extended so that in addition to the H abstraction (ABS) and β 2 -channel thermal desorption (TD) the proposed rate equation further includes the adsorption-induced desorption (AID) and β 1 -TD. The validity of the model is tested by the experiments of ABS and AID rates in the reaction system H+D/Si (100). Consequently, we find it can well reproduce the experimental results, validating the proposed model. We find the AID rate curve as a function of surface temperature T s exhibits a clear anti-correlation with the bulk dangling bond density versus T s curve reported in the plasma-enhanced chemical vapor deposition (CVD) for amorphous Si films. The significance of the H chemistry in plasma-enhanced CVD is discussed

Studies Of Oxidation And Thermal Reduction Of The Cu(100) Surface Using Positron Annihilation Induced Auger Electron Spectroscopy

Science.gov (United States)

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

2011-06-01

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

Studies Of Oxidation And Thermal Reduction Of The Cu(100) Surface Using Positron Annihilation Induced Auger Electron Spectroscopy

International Nuclear Information System (INIS)

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

2011-01-01

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

A first principle study for the adsorption and absorption of carbon atom and the CO dissociation on Ir(100) surface

Energy Technology Data Exchange (ETDEWEB)

Erikat, I. A., E-mail: ihsanas@yahoo.com [Department of Physics, Jerash University, Jerash-26150 (Jordan); Hamad, B. A. [Department of Physics, The University of Jordan, Amman-11942 (Jordan)

2013-11-07

We employ density functional theory to examine the adsorption and absorption of carbon atom as well as the dissociation of carbon monoxide on Ir(100) surface. We find that carbon atoms bind strongly with Ir(100) surface and prefer the high coordination hollow site for all coverages. In the case of 0.75 ML coverage of carbon, we obtain a bridging metal structure due to the balance between Ir–C and Ir–Ir interactions. In the subsurface region, the carbon atom prefers the octahedral site of Ir(100) surface. We find large diffusion barrier for carbon atom into Ir(100) surface (2.70 eV) due to the strong bonding between carbon atom and Ir(100) surface, whereas we find a very small segregation barrier (0.22 eV) from subsurface to the surface. The minimum energy path and energy barrier for the dissociation of CO on Ir(100) surface are obtained by using climbing image nudge elastic band. The energy barrier of CO dissociation on Ir(100) surface is found to be 3.01 eV, which is appreciably larger than the association energy (1.61 eV) of this molecule.

A first principle study for the adsorption and absorption of carbon atom and the CO dissociation on Ir(100) surface

Science.gov (United States)

Erikat, I. A.; Hamad, B. A.

2013-11-01

We employ density functional theory to examine the adsorption and absorption of carbon atom as well as the dissociation of carbon monoxide on Ir(100) surface. We find that carbon atoms bind strongly with Ir(100) surface and prefer the high coordination hollow site for all coverages. In the case of 0.75 ML coverage of carbon, we obtain a bridging metal structure due to the balance between Ir-C and Ir-Ir interactions. In the subsurface region, the carbon atom prefers the octahedral site of Ir(100) surface. We find large diffusion barrier for carbon atom into Ir(100) surface (2.70 eV) due to the strong bonding between carbon atom and Ir(100) surface, whereas we find a very small segregation barrier (0.22 eV) from subsurface to the surface. The minimum energy path and energy barrier for the dissociation of CO on Ir(100) surface are obtained by using climbing image nudge elastic band. The energy barrier of CO dissociation on Ir(100) surface is found to be 3.01 eV, which is appreciably larger than the association energy (1.61 eV) of this molecule.

A first principle study for the adsorption and absorption of carbon atom and the CO dissociation on Ir(100) surface

International Nuclear Information System (INIS)

Erikat, I. A.; Hamad, B. A.

2013-01-01

We employ density functional theory to examine the adsorption and absorption of carbon atom as well as the dissociation of carbon monoxide on Ir(100) surface. We find that carbon atoms bind strongly with Ir(100) surface and prefer the high coordination hollow site for all coverages. In the case of 0.75 ML coverage of carbon, we obtain a bridging metal structure due to the balance between Ir–C and Ir–Ir interactions. In the subsurface region, the carbon atom prefers the octahedral site of Ir(100) surface. We find large diffusion barrier for carbon atom into Ir(100) surface (2.70 eV) due to the strong bonding between carbon atom and Ir(100) surface, whereas we find a very small segregation barrier (0.22 eV) from subsurface to the surface. The minimum energy path and energy barrier for the dissociation of CO on Ir(100) surface are obtained by using climbing image nudge elastic band. The energy barrier of CO dissociation on Ir(100) surface is found to be 3.01 eV, which is appreciably larger than the association energy (1.61 eV) of this molecule

Chemisorption on the (111) and (100) faces of platinum-tin bimetallic surfaces

Science.gov (United States)

Panja, Chameli

2000-10-01

Chemisorption and reaction of CH3OH (methanol), C2H 5OH (ethanol), and H2O (water) on Pt(111) and Sn/Pt(111) alloys, and CO (carbon monoxide), NO (nitric oxide), and C2D 2 (acetylene) on Pt(100) and Sn/Pt(100) have been studied under ultrahigh vacuum conditions using temperature programmed desorption (TPD), Auger electron spectroscopy (AES), low energy electron diffraction (LEED), X-ray photoelectron spectroscopy (XPS) and high resolution electron energy loss spectroscopy (HREELS). Small organic molecules like CH3OH and C2H5OH are potential fuels for low-temperature hydrocarbon fuel cells and it is important to understand the role of tin as a promoter in electrooxidation of these molecules. Also, the catalytic reactions of CO, NO and C2H2 are of considerable interest for improving of automotive exhaust-gas catalytic converters and other heterogeneous catalysts. Ordered Pt-Sn alloys can be prepared by vapor deposition of Sn on Pt surfaces. A (2 x 2) structure (theta Sn = 0.25) and a (√3x√/3)R30° structure are formed on Pt(111), and a c(2 x 2) and (3√2x√2)R45° structures with theta Sn = 0.5 and 0.67, respectively, are formed on Pt(100). CH3OH, C2H5OH and H2O are all weakly bound and reversibly adsorbed on Pt(111) and both of the Sn/Pt(111) alloys under UHV conditions. Alloying Sn into the Pt(111) surface weakens the adsorption of these molecules from that on Pt(111) and leads to a lower reactivity as the surface concentration of Sn increases. TPD measurements reveal a reduction in the saturation coverage and chemisorption bond energy for CO, NO and C2HL chemisorption, on the two Sn/Pt(100)alloys compared to that on Pt(100). CO chemisorption is completely reversible on these two Sn/Pt(100) alloys. However, NO is partially reduced to form N2O on these alloys, so that N2O along with NO and O2 desorption was observed. We propose that dinitrosyl species, i.e., two NO molecules bound to one Pt atom, are intermediates in N2O formation from adsorbed NO on these Sn

Understanding the stability of Fe incorporation within Mn_3N_2(0 0 1) surfaces: An ab-initio study

International Nuclear Information System (INIS)

Guerrero-Sánchez, J.; Mandru, Andrada-Oana; Takeuchi, Noboru; Cocoletzi, Gregorio H.; Smith, Arthur R.

2016-01-01

Graphical abstract: - Highlights: • The Fe incorporation into inner layers of the Mn_3N_2 surfaces is stable in all range of chemical potential. • Displaced Mn atoms forming cluster-like structures induce the stability of incorporated Fe atoms. • Antiferromagnetic alignment in the [0 0 1] direction and in-plane Ferromagnetic Fe–Fe and Fe–Mn alignments are the same as in Mn_3N_2 bulk structure. • Incorporated Fe layers contribute to the metallic character of these surfaces. - Abstract: We present first principles spin-polarized calculations of the adsorption and incorporation of iron in the Mn_3N_2(0 0 1) surfaces. By means of a surface formation energy criterion, it is demonstrated that Fe incorporation is energetically stable for all studied surfaces. An Fe bilayer formation is achieved after Fe atoms displace Mn atoms in the sub-surface N-vacancy layers. An analysis of the magnetic coupling shows an antiferromagnetic alignment along the [0 0 1] direction as in the clean, ideal surfaces. Also, the in-plane magnetic coupling between Fe–Fe and Fe–Mn shows a ferromagnetic tendency, similar to the clean, ideally terminated surfaces. These results clearly indicate that Fe behaves like Mn when adsorbed into the Mn_3N_2 surface. Density of states calculations of the stable structures show a slight deviation from the antiferromagnetic-like behavior, with the most important contribution around the Fermi level coming from the Fe-d and Mn-d orbitals.

Self-assembled magnetic nitride dots on Cu(100) surfaces

NARCIS (Netherlands)

Gallego, JM; Grachev, SY; Passeggi, MCG; Sacharowitz, F; Ecija, D; Miranda, R; Boerma, DO

We describe here a procedure for the direct fabrication of a self-organized, ordered pattern of Fe4N magnetic dots on an otherwise clean Cu(100) surface. It is based on the evaporation of Fe in a flux of atomic N produced by a plasma source onto a Cu(100) surface kept at 700 K. The large-scale

Attachment chemistry of aromatic compounds on a Silicon(100) surface

Science.gov (United States)

Henriksson, Anders; Nishiori, Daiki; Maeda, Hiroaki; Miyachi, Mariko; Yamanoi, Yoshinori; Nishihara, Hiroshi

2018-03-01

A mild method was developed for the chemical attachment of aromatic compounds directly onto a hydrogen-terminated Si(100) (H-Si(100)) surface. In the presence of palladium catalyst and base, 4-iodophenylferrocene and a π-conjugated iron complex were attached to H-Si(100) electrodes and hydrogen-terminated silicon nanowires (H-SiNWs), both of which have predominant dihydride species on their surfaces. The reactions were conducted in 1,4-dioxane at 100 °C and the immobilization of both 4-ferrocenylphenyl group and π-conjugated molecular wires were confirmed and quantified by XPS and electrochemical measurements. We reported densely packed monolayer whose surface coverage (Γ), estimated from the electrochemical measurements are in analogue to similar monolayers prepared via thermal or light induced hydrosilylation reactions with alkenes or alkynes. The increase in electrochemical response observed on nanostructured silicon surfaces corresponds well to the increase in surface area, those strongly indicating that this method may be applied for the functionalization of electrodes with a variety of surface topographies.

Improving the Electrochemical Performance of LiNi0.80Co0.15Al0.05O2 in Lithium Ion Batteries by LiAlO2 Surface Modification

Directory of Open Access Journals (Sweden)

Chunhua Song

2018-03-01

Full Text Available LiNi0.80Co0.15Al0.05O2 (NCA as a lithium ion battery cathode material has received attention for its highly specific capacity and excellent low temperature performance. However, the disadvantages of its high surface lithium compound residues and high pH value have influenced its processing performance and limited its application. This paper uses a facile method to modify NCA through LiAlO2 coating. The results showed that when the molar ratio of Al(NO33·9H2O and lithium compound residues at the surface of NCA cathode material was 0.25:1, the pH of the cathode material decreased from 12.70 to 11.80 and the surface lithium compound residues decreased from 3.99% to 1.48%. The NCA cell was charged and discharged for 100 cycles at 1 C in the voltage range of 3.0–4.3 V, to test the capacity retention of NCA. It was found to be as high as 94.67%, which was 5.36% higher than the control NCA cell. The discharge capacity of NCA-0.25-500 °C was 139.8 mAh/g even at 8 C rate, which was 15% higher than the raw NCA. Further research indicated that Al(NO33·9H2O reacted with the surface lithium compound residues of NCA and generated LiAlO2, which improved the NCA electrochemical performance.

Self-assembly of nanosize coordination cages on si(100) surfaces.

Science.gov (United States)

Busi, Marco; Laurenti, Marco; Condorelli, Guglielmo G; Motta, Alessandro; Favazza, Maria; Fragalà, Ignazio L; Montalti, Marco; Prodi, Luca; Dalcanale, Enrico

2007-01-01

Bottom-up fabrication of 3D organic nanostructures on Si(100) surfaces has been achieved by a two-step procedure. Tetradentate cavitand 1 was grafted on the Si surface together with 1-octene (Oct) as a spatial spectator by photochemical hydrosilylation. Ligand exchange between grafted cavitand 1 and self-assembled homocage 2, derived from cavitand 5 bearing a fluorescence marker, led to the formation of coordination cages on Si(100). Formation, quantification, and distribution of the nanoscale molecular containers on a silicon surface was assessed by using three complementary analytical techniques (AFM, XPS, and fluorescence) and validated by control experiments on cavitand-free silicon surfaces. Interestingly, the fluorescence of pyrene at approximately 4 nm above the Si(100) surface can be clearly observed.

First-principles study of molecular NO dissociation on Ir(100) surface

Science.gov (United States)

Erikat, I. A.; Hamad, B. A.; Khalifeh, J. M.

2014-02-01

The dissociation of NO on Ir(100) surface is investigated using density functional theory (DFT). The pathway and transition state (TS) of the dissociation of NO molecule are determined using climbing image nudge elastic band (CI-NEB). The prerequisite state of NO dissociation is determining the most stable sites of the reactant and products. We found that the most energetically stable sites are the hollow for N atom and the bridge for NO molecule as well as O atom. We found that the bending of NO is the first step of the dissociation reaction due to the increase of the back-donation from the d-band of Ir to 2 π ∗ orbital of NO, which causes the weakening of NO bond. The dissociation energy barrier of NO molecule on Ir(100) surface is 0.49 eV.

Effects of background oxygen pressure on dielectric and ferroelectric properties of epitaxial (K0.44,Na0.52,Li0.04)(Nb0.84,Ta0.10,Sb0.06)O3 thin films on SrTiO3

Science.gov (United States)

Abazari, M.; Akdoǧan, E. K.; Safari, A.

2008-11-01

Oxygen partial pressure (PO_2) in pulsed laser deposition significantly influences the composition, microstructure, and electrical properties of epitaxial misfit strain-relieved 450nm ⟨001⟩ oriented epitaxial (K0.44,Na0.52,Li0.04)(Nb0.84,Ta0.10,Sb0.06)O3 thin films on SrRuO3 coated SrTiO3. Films deposited at 400mTorr exhibit high remnant and saturated polarization of 7.5 and 16.5μC /cm2, respectively, which is ˜100% increase over the ones grown at 100mTorr. The dielectric constant linearly increases from 220 to 450 with increasing PO2. The observed changes in surface morphology of the films and their properties are shown to be due to the suppression of volatile A-site cation loss.

The spectral optical properties and relative radiant heating contribution of dissolved and particulate matter in the surface waters across the Fram Strait

DEFF Research Database (Denmark)

Pavlov, A.K.; Granskog, M.A.; Stedmon, Colin

autumns of 2009 and 2010 comprehensive observations were performed on transects along 79 N across the Fram Strait. Samples for chromophoric dissolved organic matter (CDOM) and particulate absorption were collected and analyzed together with distribution of temperature and salinity in surface waters (0......-100 m). Large spatial variations in the distribution of CDOM and particulate matter as well as in their relative contributions to total absorption were apparent, with high contrast between waters of Arctic and Atlantic origin. In addition, estimates of underwater light profiles and radiant heating rate...... (RHR) of the upper layer were obtained using a simplistic exponential RHR model. This is one of the first detailed overviews of sea water optical properties across the northern Fram Strait, and might have potential implications for biological, biogeochemical and physical processes in the region...

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).

Accelerator production of 99mTc with proton beams and enriched 100Mo targets

International Nuclear Information System (INIS)

Lagunas-Solar, M.C.

1999-01-01

The direct production of 99m Tc has been developed based upon the use of the 100 Mo(p,2n) 99m Tc reaction (Q= -7.9 MeV), using enriched 100 Mo targets and accelerated protons of 99m Tc yields measured in this work reached 851 ± 77 MBq/μA/h (23.0 ± 3.0 mCi/μA/h) at end-of-bombardment (EOB) in the 22-12 MeV energy region, with 96 Tc (4.35 d) as the only detectable impurity at - accelerators, and by extracting multiple H + beams to bombard a single or an array of enriched 100 Mo targets, this method could provide nearly 851 GBq (23 Ci) of 99m Tc in 1-h bombardments. Because of this large-batch potential, this new method appears to be an effective alternative to the production and distribution of 99 Mo → 99m Tc generator systems, although it may be limited to daily, regional/local distribution and use. 99m Tc produced in this fashion has high radionuclidic and radiochemical purity, although its specific activity has not been determined. The accelerator-made 99m Tc has been shown to have similar physical and chemical characteristics than 99m Tc eluted from commercial fission-produced 99 Mo → 99m Tc generators. Technical and logistical factors need further study and analysis but the potential and the expected impact of this new method are clear in the context of the operation of large radionuclide distribution centers as well as for small programs in developing regions. (author)

Vildagliptin and its metabolite M20.7 induce the expression of S100A8 and S100A9 in human hepatoma HepG2 and leukemia HL-60 cells.

Science.gov (United States)

Asakura, Mitsutoshi; Karaki, Fumika; Fujii, Hideaki; Atsuda, Koichiro; Itoh, Tomoo; Fujiwara, Ryoichi

2016-10-19

Vildagliptin is a potent, orally active inhibitor of dipeptidyl peptidase-4 (DPP-4) for the treatment of type 2 diabetes mellitus. It has been reported that vildagliptin can cause hepatic dysfunction in patients. However, the molecular-mechanism of vildagliptin-induced liver dysfunction has not been elucidated. In this study, we employed an expression microarray to determine hepatic genes that were highly regulated by vildagliptin in mice. We found that pro-inflammatory S100 calcium-binding protein (S100) a8 and S100a9 were induced more than 5-fold by vildagliptin in the mouse liver. We further examined the effects of vildagliptin and its major metabolite M20.7 on the mRNA expression levels of S100A8 and S100A9 in human hepatoma HepG2 and leukemia HL-60 cells. In HepG2 cells, vildagliptin, M20.7, and sitagliptin - another DPP-4 inhibitor - induced S100A9 mRNA. In HL-60 cells, in contrast, S100A8 and S100A9 mRNAs were significantly induced by vildagliptin and M20.7, but not by sitagliptin. The release of S100A8/A9 complex in the cell culturing medium was observed in the HL-60 cells treated with vildagliptin and M20.7. Therefore, the parental vildagliptin- and M20.7-induced release of S100A8/A9 complex from immune cells, such as neutrophils, might be a contributing factor of vildagliptin-associated liver dysfunction in humans.

NO and NO{sub 2} adsorption on subsurface doped MgO (100) and BaO (100) surfaces. A density functional study

Energy Technology Data Exchange (ETDEWEB)

Añez, Rafael, E-mail: ranez@ivic.gob.ve [Laboratorio de Química Física y Catálisis Computacional, Centro de Química, Instituto Venezolano de Investigaciones Científicas, Apartado 21827, Caracas (Venezuela, Bolivarian Republic of); Sierraalta, Aníbal [Laboratorio de Química Física y Catálisis Computacional, Centro de Química, Instituto Venezolano de Investigaciones Científicas, Apartado 21827, Caracas (Venezuela, Bolivarian Republic of); Soto, Lenin J. Díaz [Pontifícia Universidade Católica do Rio de Janeiro, Departamento de Física, 22451-900 Rio de Janeiro, RJ (Brazil); Instituto de Química, Universidade Federal do Rio de Janeiro, Cidade Universitária, CT Bloco A sala 412, Rio de Janeiro, RJ 21949-900 (Brazil)

2017-05-15

Highlights: • Subsurface doped BaO(100) and MgO(100) surfaces. • NO and NO{sub 2} adsorption on doped BaO(100) and MgO(100) surfaces. • Surface distortion produced by the doped improves the interaction with the surface. • NO and NO{sub 2} adsorption energies displayed good correlation with the transferred charge. - Abstract: A periodic DFT approach was used to study the energetic, electronic and structural changes produced by the V, Fe and Ni sub layer doped of the MgO (100) and BaO (100) surfaces and the effect of these changes over the adsorption of NO and NO{sub 2}. Results indicate that the higher capacity of donating charge of the transition metal atoms improves the ability of the surfaces to transfer charge to the molecules. The charge transferred goes to NO and NO{sub 2} antibonding orbitals which makes them more reactive hence the interaction becomes stronger. A good lineal correlation between the charge transferred and the calculated adsorption energy was found, that is, as the charge transferred increases the adsorption energy increases. The interaction between the NO or NO{sub 2} molecule on doped surfaces not only depends of the charge transferred, surface structural changes produced by the doping with transition metal atoms increase the adsorption energy specially on the BaO (100) surface where the surface structural changes were more noticeable. Calculated stretching frequency of a NO in a η{sup 1} –N configuration indicates that this is the most stable specie found for the adsorption of NO on terraces of the MgO (100) surface around 77 K and that the sub layer Ni doped BaO (100) surface could be a promising material for the decomposition of NO{sub 2}.

Desorption dynamics of deuterium molecules from the Si(100)-(3x1) dideuteride surface.

Science.gov (United States)

Niida, T; Tsurumaki, H; Namiki, A

2006-01-14

We measured polar angle (theta)-resolved time-of-flight spectra of D2 molecules desorbing from the Si(100)-(3x1) dideuteride surface. The desorbing D2 molecules exhibit a considerable translational heating with mean desorption kinetic energies of approximately 0.25 eV, which is mostly independent of the desorption angles for 0 degreesdynamics of deuterium was discussed along the principle of detailed balance to predict their adsorption dynamics onto the monohydride Si surface.

Impact of PSA density of transition zone as a potential parameter in reducing the number of unnecessary prostate biopsies in patients with psa levels between 2.6 and 10.0 ng/mL.

Science.gov (United States)

Castro, Hugo A Socrates; Iared, Wagner; Santos, José Eduardo Mourão; Solha, Raphael Sandes; Shigueoka, David Carlos; Ajzen, Sergio Aron

2018-04-10

To assess the accuracy of prostate-specific antigen (PSA) adjusted for the transition zone volume (PSATZ) in predicting prostate cancer by comparing the ability of several PSA parameters in predicting prostate cancer in men with intermediate PSA levels of 2.6 - 10.0 ng/mL and its ability to reduce unnecessary biopsies. This study included 656 patients referred for prostate biopsy who had a serum PSA of 2.6 - 10.0 ng/mL. Total prostate and transition zone volumes were measured by transrectal ultrasound using the prolate ellipsoid method. The clinical values of PSA, free-to-total (F/T) ratio, PSA density (PSAD) and PSATZ for the detection of prostate cancer were calculated and statistical comparisons between biopsy-positive (cancer) and biopsy-negative (benign) were conducted. Cancer was detected in 172 patients (26.2%). Mean PSA, PSATZ, PSAD and F/T ratio were 7.5 ng/mL, 0.68 ng/mL/cc. 0.25 ng/mL/cc and 0.14 in patients with prostate cancer and 6.29 ng/mL, 0.30 ng/mL/cc, 0.16 ng/mL/cc and 0.22 in patients with benign biopsies, respectively. ROC curves analysis demonstrated that PSATZ had a higher area under curve (0,838) than F/T ratio (0,806) (PPSA. Compared to other PSA related parameters, it was better in differentiating between prostate cancer and benign prostatic enlargement. Also, PSATZ could reduce a significant number of unnecessary biopsies. Copyright® by the International Brazilian Journal of Urology.

Effect of Different Training Methods on Stride Parameters in Speed Maintenance Phase of 100-m Sprint Running.

Science.gov (United States)

Cetin, Emel; Hindistan, I Ethem; Ozkaya, Y Gul

2018-05-01

Cetin, E, Hindistan, IE, Ozkaya, YG. Effect of different training methods on stride parameters in speed maintenance phase of 100-m sprint running. J Strength Cond Res 32(5): 1263-1272, 2018-This study examined the effects of 2 different training methods relevant to sloping surface on stride parameters in speed maintenance phase of 100-m sprint running. Twenty recreationally active students were assigned into one of 3 groups: combined training (Com), horizontal training (H), and control (C) group. Com group performed uphill and downhill training on a sloping surface with an angle of 4°, whereas H group trained on a horizontal surface, 3 days a week for 8 weeks. Speed maintenance and deceleration phases were divided into distances with 10-m intervals, and running time (t), running velocity (RV), step frequency (SF), and step length (SL) were measured at preexercise, and postexercise period. After 8 weeks of training program, t was shortened by 3.97% in Com group, and 2.37% in H group. Running velocity also increased for totally 100 m of running distance by 4.13 and 2.35% in Com, and H groups, respectively. At the speed maintenance phase, although t and maximal RV (RVmax) found to be statistically unaltered during overall phase, t was found to be decreased, and RVmax was preceded by 10 m in distance in both training groups. Step length was increased at 60-70 m, and SF was decreased at 70-80 m in H group. Step length was increased with concomitant decrease in SF at 80-90 m in Com group. Both training groups maintained the RVmax with a great percentage at the speed maintenance phase. In conclusion, although both training methods resulted in an increase in running time and RV, Com training method was more prominently effective method in improving RV, and this improvement was originated from the positive changes in SL during the speed maintaining phase.

Formation of a silicon terminated (100) diamond surface

International Nuclear Information System (INIS)

Schenk, Alex; Sear, Michael; Pakes, Chris; Tadich, Anton; O'Donnell, Kane M.; Ley, Lothar; Stacey, Alastair

2015-01-01

We report the preparation of an ordered silicon terminated diamond (100) surface with a two domain 3 × 1 reconstruction as determined by low energy electron diffraction. Based on the dimensions of the surface unit cell and on chemical information provided by core level photoemission spectra, a model for the structure is proposed. The termination should provide a homogeneous, nuclear, and electron spin-free surface for the development of future near-surface diamond quantum device architectures

Ultrathin Nanosheet Assembled Sn0.91 Co0.19 S2 Nanocages with Exposed (100) Facets for High-Performance Lithium-Ion Batteries.

Science.gov (United States)

Li, Bing; Gu, Peng; Zhang, Guangxun; Lu, Yao; Huang, Kesheng; Xue, Huaiguo; Pang, Huan

2018-02-01

Ultrathin 2D inorganic nanomaterials are good candidates for lithium-ion batteries, as well as the micro/nanocage structures with unique and tunable morphologies. Meanwhile, as a cost-effective method, chemical doping plays a vital role in manipulating physical and chemical properties of metal oxides and sulfides. Thus, the design of ultrathin, hollow, and chemical doped metal sulfides shows great promise for the application of Li-ion batteries by shortening the diffusion pathway of Li ions as well as minimizing the electrode volume change. Herein, ultrathin nanosheet assembled Sn 0.91 Co 0.19 S 2 nanocages with exposed (100) facets are first synthesized. The as-prepared electrode delivers an excellent discharge capacity of 809 mA h g -1 at a current density of 100 mA g -1 with a 91% retention after 60 discharge-charge cycles. The electrochemical performance reveals that the Li-ion batteries prepared by Sn 0.91 Co 0.19 S 2 nanocages have high capacity and great cycling stability. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Desorption dynamics of deuterium molecules from the Si(100)-(3×1) dideuteride surface

OpenAIRE

Niida, T; Tsurumaki, Hiroshi; Namiki, Akira

2006-01-01

We measured polar angle ()-resolved time-of-flight spectra of D2 molecules desorbing from the Si(100)-(3×1) dideuteride surface. The desorbing D2 molecules exhibit a considerable translational heating with mean desorption kinetic energies of 0.25 eV, which is mostly independent of the desorption angles for 0°30°. The observed desorption dynamics of deuterium was discussed along the principle of detailed balance to predict their adsorption dynamics onto the monohydride Si surface.

14-bit 100 MS/s 121 mW pipelined ADC

International Nuclear Information System (INIS)

Chen Yongzhen; Chen Chixiao; Feng Zemin; Ye Fan; Ren Junyan

2015-01-01

This paper presents a high-speed high-resolution pipelined ADC with low power and small area. The proposed ADC is designed based on the analysis of the stage scaling theory and the residual amplifiers are shared by two cascading MDACs to reduce power consumption. Shared op-amps with two split input paths are presented in this paper to eliminate the nonlinearity effects such as memory effect and crosstalk. Dynamic pre-amplified comparators are employed to decrease the static power consumption and suppress the kick-back in the comparators. This ADC is implemented in SMIC 0.18 μm CMOS process with an area of 3.1 mm 2 . With a sampling rate of 100 MS/s, spurious-free dynamic range (SFDR) and signal-to-noise plus distortion ratio (SNDR) of the ADC are 82.7 dB and 69.1 dB, respectively. For signals up to 100 MHz, the SFDR and SNDR achieve 81.4 dB and 65.8 dB. The power consumption is 121 mW with a 1.8 V supply voltage. (paper)

Surface morphology of Al0.3Ga0.7N/Al2O3-high electron mobility transistor structure.

Science.gov (United States)

Cörekçi, S; Usanmaz, D; Tekeli, Z; Cakmak, M; Ozçelik, S; Ozbay, E

2008-02-01

We present surface properties of buffer films (AIN and GaN) and Al0.3Gao.zN/Al2O3-High Electron Mobility Transistor (HEMT) structures with/without AIN interlayer grown on High Temperature (HT)-AIN buffer/Al2O3 substrate and Al2O3 substrate. We have found that the GaN surface morphology is step-flow in character and the density of dislocations was about 10(8)-10(9) cm(-2). The AFM measurements also exhibited that the presence of atomic steps with large lateral step dimension and the surface of samples was smooth. The lateral step sizes are in the range of 100-250 nm. The typical rms values of HEMT structures were found as 0.27, 0.30, and 0.70 nm. HT-AIN buffer layer can have a significant impact on the surface morphology of Al0.3Ga0.7N/Al2O3-HEMT structures.

Cu-capped surface alloys of Pt/Cu left brace 100 right brace

CERN Document Server

Alshamaileh, E; Wander, A

2003-01-01

The room-temperature deposition of 0.5 monolayer (ML) Pt on Cu left brace 100 right brace followed by annealing to 525 K results in a sharp c(2 x 2) low-energy electron diffraction (LEED) pattern. The structure of this surface alloy is investigated by means of symmetrized automated tensor low-energy electron diffraction (SATLEED) analysis and ab initio plane wave density functional calculations. The results are then compared with those for the similar system 0.5 ML Pd/Cu left brace 100 right brace. SATLEED results for the Pt/Cu left brace 100 right brace show that it consists of an ordered c(2 x 2) Cu-Pt second layer alloy capped with a pure Cu first layer. The first and second interlayer spacings are found to be expanded by +5.1 +- 1.7 and +3.5 +- 1.7% respectively (relative to the bulk Cu interlayer spacing of 1.807 A) due to the insertion of the 8% larger Pt atoms into the second layer. The ordered mixed layer is found to be rippled by 0.08 +- 0.06 A with Pt atoms rippled outwards towards the solid-vacuum ...

Surface rupture and vertical deformation associated with 20 May 2016 M6 Petermann Ranges earthquake, Northern Territory, Australia

Science.gov (United States)

Gold, Ryan; Clark, Dan; King, Tamarah; Quigley, Mark

2017-04-01

Surface-rupturing earthquakes in stable continental regions (SCRs) occur infrequently, though when they occur in heavily populated regions the damage and loss of life can be severe (e.g., 2001 Bhuj earthquake). Quantifying the surface-rupture characteristics of these low-probability events is therefore important, both to improve understanding of the on- and off-fault deformation field near the rupture trace and to provide additional constraints on earthquake magnitude to rupture length and displacement, which are critical inputs for seismic hazard calculations. This investigation focuses on the 24 August 2016 M6.0 Petermann Ranges earthquake, Northern Territory, Australia. We use 0.3-0.5 m high-resolution optical Worldview satellite imagery to map the trace of the surface rupture associated with the earthquake. From our mapping, we are able to trace the rupture over a length of 20 km, trending NW, and exhibiting apparent north-side-up motion. To quantify the magnitude of vertical surface deformation, we use stereo Worldview images processed using NASA Ames Stereo Pipeline software to generate pre- and post-earthquake digital terrain models with a spatial resolution of 1.5 to 2 m. The surface scarp is apparent in much of the post-event digital terrain model. Initial efforts to difference the pre- and post-event digital terrain models yield noisy results, though we detect vertical deformation of 0.2 to 0.6 m over length scales of 100 m to 1 km from the mapped trace of the rupture. Ongoing efforts to remove ramps and perform spatial smoothing will improve our understanding of the extent and pattern of vertical deformation. Additionally, we will compare our results with InSAR and field measurements obtained following the earthquake.

Near-infrared (0.8-4.0 m) spectroscopy of mimas, enceladus, tethys, and rhea

Science.gov (United States)

Emery, J.P.; Burr, D.M.; Cruikshank, D.P.; Brown, R.H.; Dalton, J.B.

2005-01-01

Spectral measurements from the ground in the time leading up to the Cassini mission at Saturn provide important context for the interpretation of the forthcoming spacecraft data. Whereas ground-based observations cannot begin to approach the spatial scales Cassini will achieve, they do possess the benefits of better spectral resolution, a broader possible time baseline, and unique veiewing geometries not obtained by spacecraft (i.e., opposition). In this spirit, we present recent NIR reflectance spectra of four icy satellites of Saturn measured with the SpeX instrument at the IRTF. These measurements cover the range 0.8-4.0 m of both the leading and trailing sides of Tethys and the leading side of Rhea. The L-band region (2.8-4.0 m) offers new opportunities for searches of minor components on these objects. Additionally, these data include 0.8-2.5 m spectra of both the leading and trailing sides of Mimas and of the (mostly) trailing side of Enceladus. The spectrum of Enceladus shows activity near 2.25 m that we interpret as a possible signature of NH3 ice. The presence of ammonia in the Saturn system is not unexpected, and may help explain the apparent recent geologic activity of Enceladus. Analysis of leading/trailing differences inH2O band depths, spectral slopes, and albedo imply a separate regime of surface modification for Mimas and Enceladus than for the more distant icy satellites (Tethys, Dione, Rhea). Aside from the potential NH3 on Enceladus, no other minor constituents are detected in these icy surfaces.

Understanding the stability of Fe incorporation within Mn{sub 3}N{sub 2}(0 0 1) surfaces: An ab-initio study

Energy Technology Data Exchange (ETDEWEB)

Guerrero-Sánchez, J., E-mail: guerrero@ifuap.buap.mx [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States); Benemérita Universidad Autónoma de Puebla, Instituto de Física “Ing Luis Rivera Terrazas”, Apartado Postal J-48, Puebla 72570, México (Mexico); Centro de Nanociencias y Nanotecnologia, Universidad Nacional Autónoma de México, Apartado Postal 14, Ensenada, Baja California Codigo Postal 22800, México (Mexico); Mandru, Andrada-Oana [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States); Takeuchi, Noboru [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States); Centro de Nanociencias y Nanotecnologia, Universidad Nacional Autónoma de México, Apartado Postal 14, Ensenada, Baja California Codigo Postal 22800, México (Mexico); Cocoletzi, Gregorio H. [Benemérita Universidad Autónoma de Puebla, Instituto de Física “Ing Luis Rivera Terrazas”, Apartado Postal J-48, Puebla 72570, México (Mexico); Smith, Arthur R. [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States)

2016-02-15

Graphical abstract: - Highlights: • The Fe incorporation into inner layers of the Mn{sub 3}N{sub 2} surfaces is stable in all range of chemical potential. • Displaced Mn atoms forming cluster-like structures induce the stability of incorporated Fe atoms. • Antiferromagnetic alignment in the [0 0 1] direction and in-plane Ferromagnetic Fe–Fe and Fe–Mn alignments are the same as in Mn{sub 3}N{sub 2} bulk structure. • Incorporated Fe layers contribute to the metallic character of these surfaces. - Abstract: We present first principles spin-polarized calculations of the adsorption and incorporation of iron in the Mn{sub 3}N{sub 2}(0 0 1) surfaces. By means of a surface formation energy criterion, it is demonstrated that Fe incorporation is energetically stable for all studied surfaces. An Fe bilayer formation is achieved after Fe atoms displace Mn atoms in the sub-surface N-vacancy layers. An analysis of the magnetic coupling shows an antiferromagnetic alignment along the [0 0 1] direction as in the clean, ideal surfaces. Also, the in-plane magnetic coupling between Fe–Fe and Fe–Mn shows a ferromagnetic tendency, similar to the clean, ideally terminated surfaces. These results clearly indicate that Fe behaves like Mn when adsorbed into the Mn{sub 3}N{sub 2} surface. Density of states calculations of the stable structures show a slight deviation from the antiferromagnetic-like behavior, with the most important contribution around the Fermi level coming from the Fe-d and Mn-d orbitals.

Realistic multisite lattice-gas modeling and KMC simulation of catalytic surface reactions: Kinetics and multiscale spatial behavior for CO-oxidation on metal (1 0 0) surfaces

Science.gov (United States)

Liu, Da-Jiang; Evans, James W.

2013-12-01

A realistic molecular-level description of catalytic reactions on single-crystal metal surfaces can be provided by stochastic multisite lattice-gas (msLG) models. This approach has general applicability, although in this report, we will focus on the example of CO-oxidation on the unreconstructed fcc metal (1 0 0) or M(1 0 0) surfaces of common catalyst metals M = Pd, Rh, Pt and Ir (i.e., avoiding regimes where Pt and Ir reconstruct). These models can capture the thermodynamics and kinetics of adsorbed layers for the individual reactants species, such as CO/M(1 0 0) and O/M(1 0 0), as well as the interaction and reaction between different reactant species in mixed adlayers, such as (CO + O)/M(1 0 0). The msLG models allow population of any of hollow, bridge, and top sites. This enables a more flexible and realistic description of adsorption and adlayer ordering, as well as of reaction configurations and configuration-dependent barriers. Adspecies adsorption and interaction energies, as well as barriers for various processes, constitute key model input. The choice of these energies is guided by experimental observations, as well as by extensive Density Functional Theory analysis. Model behavior is assessed via Kinetic Monte Carlo (KMC) simulation. We also address the simulation challenges and theoretical ramifications associated with very rapid diffusion and local equilibration of reactant adspecies such as CO. These msLG models are applied to describe adsorption, ordering, and temperature programmed desorption (TPD) for individual CO/M(1 0 0) and O/M(1 0 0) reactant adlayers. In addition, they are also applied to predict mixed (CO + O)/M(1 0 0) adlayer structure on the nanoscale, the complete bifurcation diagram for reactive steady-states under continuous flow conditions, temperature programmed reaction (TPR) spectra, and titration reactions for the CO-oxidation reaction. Extensive and reasonably successful comparison of model predictions is made with experimental

Contribution of surface analysis spectroscopic methods to the lubrication field

International Nuclear Information System (INIS)

Blanc, C.

1979-01-01

The analytical surface technics such as ESCA, AES and SIMS are tested to be applied to a particular lubrication field. One deals with a 100 C 6 steel surface innumered in tricresylphosphate at 110 0 C for 15 days. The nature of the first layers is studied after relevant solvant cleaning. An iron oxide layer is produced on the bearing surface, namely αFe 2 -O 3 . ESCA, AES and SIMS studies show an overlayer of iron phosphate. The exact nature of iron phosphate is not clearly established but the formation of a ferrous phosphate coating can be assumed from ESCA analysis [fr

Growth of M-plane (10-10)InN on LiAlO2(100) substrate

International Nuclear Information System (INIS)

Takagi, Yusuke; Muto, Daisuke; Araki, Tsutomu; Nanishi, Yasushi; Yamaguchi, Tomohiro

2009-01-01

In this study, we report the growth and characterization of M-plane InN films on LiAlO 2 (100) substrates by radio-frequency plasma assisted molecular beam epitaxy (RF-MBE). InN films were grown at various temperatures and under various V/III ratios on the substrates. Pure M -plane InN films were successfully grown at a high temperature of 450 C and under a slightly In-rich condition, while the incorporation of C-plane phase was observed in M -plane InN films grown at low temperatures of less than 400 C or under a N-rich condition. These indicate that controls of growth temperature and V/III ratio are important for the growth of pure M-plane InN films. The in-plane epitaxial relationships of M -plane InN on LiAlO 2 (100) were[0001] InN //[010] LiAlO 2 and[1-210] InN //[001] LiAlO 2 . A surface electron accumulation layer on the obtained M-plane InN film is also discussed. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Lowering the density of electronic defects on organic-functionalized Si(100) surfaces

International Nuclear Information System (INIS)

Peng, Weina; DeBenedetti, William J. I.; Kim, Seonjae; Chabal, Yves J.; Hines, Melissa A.

2014-01-01

The electrical quality of functionalized, oxide-free silicon surfaces is critical for chemical sensing, photovoltaics, and molecular electronics applications. In contrast to Si/SiO 2 interfaces, the density of interface states (D it ) cannot be reduced by high temperature annealing because organic layers decompose above 300 °C. While a reasonable D it is achieved on functionalized atomically flat Si(111) surfaces, it has been challenging to develop successful chemical treatments for the technologically relevant Si(100) surfaces. We demonstrate here that recent advances in the chemical preparation of quasi-atomically-flat, H-terminated Si(100) surfaces lead to a marked suppression of electronic states of functionalized surfaces. Using a non-invasive conductance-voltage method to study functionalized Si(100) surfaces with varying roughness, a D it as low as 2.5 × 10 11  cm −2 eV −1 is obtained for the quasi-atomically-flat surfaces, in contrast to >7 × 10 11  cm −2 eV −1 on atomically rough Si(100) surfaces. The interfacial quality of the organic/quasi-atomically-flat Si(100) interface is very close to that obtained on organic/atomically flat Si(111) surfaces, opening the door to applications previously thought to be restricted to Si(111)

Electrical studies of D%AgI-(100-D)%[0.667Ag2O- 0.333{(0.4)B2O3-(0.6)TeO2}] fast ion conducting glasses

Science.gov (United States)

Kumar, E. Ramesh; Nageswar Rao, P.; Appa Rao, B.

2016-09-01

Super ion conducting glasses of composition D%AgI-(100-D)%[MAg2O-F{(F1)B2O3- (F2)TeO2}]; D=10.0 to 60.0 in steps of 10.0 for a fixed values of F1 (0.4), F2 (0.6) which are glass network formers, fixed values of modifier M(0.667), F (0.333) and D is dopant salt which was varied. These glasses were prepared by melt quenching technique. XRD spectra taken for all the samples. Electrical characterization was done in terms of AC and DC conductivities. DC and AC conductivities at room temperature increased from 10-5 to 10-1 scm-1 and DC activation energy (Edc) found to decrease from 0.36 to 0.19eV with increase in D% ratio. Measurements are performed over the frequency range 1 kHz to 3 MHz at different temperatures. From the impedance spectroscopy real and imaginary parts of impedances (Z', Z"), conductivities were calculated and plotted, and equivalent R-C circuit parameters were obtained from Cole-Cole plots. With the increase in D%, AC conductivity is observed to increase whereas the AC activation energy (Eac) is observed to decrease from 0.23 to 0.14 eV. The quantitative analysis of these results indicates that the electrical conductivity of silver borate glasses is enhanced with increase in D% ratio. Based on conductivity values these glasses are ionic conductors, in which conduction is by hopping mechanism. An attempt is made to understand the charge transportation process.

100KE/KW fuel storage basin surface volumetric factors

International Nuclear Information System (INIS)

Conn, K.R.

1996-01-01

This Supporting Document presents calculations of surface Volumetric factors for the 100KE and 100KW Fuel Storage Basins. These factors relate water level changes to basin loss or additions of water, or the equivalent water displacement volumes of objects added to or removed from the basin

Single OR molecule and OR atomic circuit logic gates interconnected on a Si(100)H surface

International Nuclear Information System (INIS)

Ample, F; Joachim, C; Duchemin, I; Hliwa, M

2011-01-01

Electron transport calculations were carried out for three terminal OR logic gates constructed either with a single molecule or with a surface dangling bond circuit interconnected on a Si(100)H surface. The corresponding multi-electrode multi-channel scattering matrix (where the central three terminal junction OR gate is the scattering center) was calculated, taking into account the electronic structure of the supporting Si(100)H surface, the metallic interconnection nano-pads, the surface atomic wires and the molecule. Well interconnected, an optimized OR molecule can only run at a maximum of 10 nA output current intensity for a 0.5 V bias voltage. For the same voltage and with no molecule in the circuit, the output current of an OR surface atomic scale circuit can reach 4 μA.

Mitigation action plan for the 100-KR-4, 100-HR-3 pump and treat

International Nuclear Information System (INIS)

Weiss, S.G.

1996-10-01

This project involves drilling 22 wells, improving access roads to existing new wells, laying connecting pipes, and constructing groundwater treatment facilities in the 100-KR-4 and 100-HR-3 Operable Units. These facilities are located at the Hanford Site in Richland, Washington. The drilling is expected to be completed by October 1996, but the treatment operations will continue for approximately 10 years. Thirteen of the new wells are to be placed in the 100-K Area, five in the 100-H Area, and four in the 100-D Area. A 4 km (2.5 mi) pipeline will run from the wells at the 100-D Area to the treatment facility at the 100-H Area. The 116-K-2 Trench received reactor effluents from 1955 to 1971. It is 1,460 m long by 16.4 m wide by 5.5 m deep with spoil pits at the surface on both sides. Washouts occurred during operation, causing several surface contamination areas between the trench and river that were covered with a few feet of soil

Surface Brillouin scattering measurement of the elastic constants of single crystal InAs0.91Sb0.09

International Nuclear Information System (INIS)

Kotane, L M; Comins, J D; Every, A G; Botha, J R

2011-01-01

Surface Brillouin scattering of light has been used to measure the angular dependence of the Rayleigh surface acoustic wave (SAW), pseudo surface acoustic wave (PSAW) and longitudinal lateral wave (LLW) speeds in a (100)-oriented single crystal of the ternary semiconductor alloy InAs 0.91 Sb 0.09 . The wave speed measurements have been used to determine the room temperature values of the elastic constants C 11 , C 12 and C 44 of the alloy. A simple and robust fitting procedure has been implemented for recovering the elastic constants, in which the merit function is constructed from explicit secular functions that determine the surface and lateral wave speeds in the [001] and [011] crystallographic directions. In the fitting, relatively larger weighting factors have been assigned to the SAW and PSAW data because of the greater precision with which the surface modes can be measured as compared with the lateral wave.

High-resolution electron-energy-loss spectroscopy studies of clean and hydrogen-covered tungsten (100) surfaces

International Nuclear Information System (INIS)

Woods, J.P.

1986-01-01

High-resolution (10-meV FWHM) low-energy (≤ 100eV) electrons are scattered from the tungsten (100) surface. Electron-energy-loss spectroscopy (EELS) selection rules are utilized to identify vibrational modes of the surface tungsten atoms. A 36-meV mode is measured on the c(2 X 2) thermally reconstructed surface and is modeled as an overtone of the 18-meV mode at M in the surface Brillouin zone. The superstructure of the reconstructed surface allows this mode to be observed in specular scattering. The surface tungsten atoms return to their bulk lateral positions with saturated hydrogen (β 1 phase) adsorption; and a 26-meV mode identified is due to the perpendicular vibration of the surface tungsten layers. The clean-room temperature surface does not display either low-energy vibrations and the surface is modeled as disordered. The three β 1 phase hydrogen vibrations are observed and a new vibration at 118 meV is identified. The 118-meV cross section displays characteristics of a parallel mode, but calculations show this assignment to be erroneous. There are two hydrogen atoms for each surface tungsten atom in the β 1 phase, and lattice-dynamical calculations show that the 118-meV mode is due to a hydrogen-zone edge vibration. The predicted breakdown of the parallel hydrogen vibration selection rule was not observed

100 Years later: Celebrating the contributions of x-ray crystallography to allergy and clinical immunology.

Science.gov (United States)

Pomés, Anna; Chruszcz, Maksymilian; Gustchina, Alla; Minor, Wladek; Mueller, Geoffrey A; Pedersen, Lars C; Wlodawer, Alexander; Chapman, Martin D

2015-07-01

Current knowledge of molecules involved in immunology and allergic disease results from the significant contributions of x-ray crystallography, a discipline that just celebrated its 100th anniversary. The histories of allergens and x-ray crystallography are intimately intertwined. The first enzyme structure to be determined was lysozyme, also known as the chicken food allergen Gal d 4. Crystallography determines the exact 3-dimensional positions of atoms in molecules. Structures of molecular complexes in the disciplines of immunology and allergy have revealed the atoms involved in molecular interactions and mechanisms of disease. These complexes include peptides presented by MHC class II molecules, cytokines bound to their receptors, allergen-antibody complexes, and innate immune receptors with their ligands. The information derived from crystallographic studies provides insights into the function of molecules. Allergen function is one of the determinants of environmental exposure, which is essential for IgE sensitization. Proteolytic activity of allergens or their capacity to bind LPSs can also contribute to allergenicity. The atomic positions define the molecular surface that is accessible to antibodies. In turn, this surface determines antibody specificity and cross-reactivity, which are important factors for the selection of allergen panels used for molecular diagnosis and the interpretation of clinical symptoms. This review celebrates the contributions of x-ray crystallography to clinical immunology and allergy, focusing on new molecular perspectives that influence the diagnosis and treatment of allergic diseases. Copyright © 2015 American Academy of Allergy, Asthma & Immunology. All rights reserved.

Experimental surface charge density of the Si (100)-2x1H surface

DEFF Research Database (Denmark)

Ciston, J.; Marks, L.D.; Feidenhans'l, R.

2006-01-01

We report a three-dimensional charge density refinement from x-ray diffraction intensities of the Si (100) 2x1H surface. By paying careful attention to parameterizing the bulk Si bonding, we are able to locate the hydrogen atoms at the surface, which could not be done previously. In addition, we...

Reconsideration of the m=0 Z-pinch stability

International Nuclear Information System (INIS)

Scheffel, J.; Coppins, M.

1993-01-01

Possible paths for obtaining linear stability against the m=0 mode in the Z-pinch are studied. Using a generalized energy principle, the necessary and sufficient Chew-Goldberger-Low (CGL) m=0 stability criterion is derived. This criterion is less restrictive than that of ideal MHD, although it also requires the boundary plasma pressure to be finite. It is shown that the edge pressure cannot be stably upheld by a surface current. By instead assuming a finite pressure external gas, it is found that an edge pressure to on-axis pressure ratio of 0.5 is required for stability of a constant current density profile. A parabolic current density profile lowers the limit to the value 0.17. The growth rates are shown to be monotonically decreasing as a function of the external gas pressure. Detailed derivations of the boundary conditions are also given. The results aid in clarifying the experimental stability of four major Z-pinch experiments. Finite Larmor radius stabilization is hence required to maintain stability in future fibre pinch experiments in vacuum, implying line densities less than 10 19 m -1 . (author). 28 refs, 10 figs

The Si(100)-Sb 2x1 and Ge(100) 2x1 surfaces: A multi-technique study

International Nuclear Information System (INIS)

Richter, M.

1993-08-01

The electronic and geometric structures of the clean and Sb terminated Si(100)2x1 and Ge(100)-2x1 surfaces have been investigated using a multi-technique approach. Low energy electron diffraction (LEED), scanning tunneling microscopy (STM), surface extended X-ray absorption fine structure (SEXAFS) spectroscopy and angle-integrated core-level photoemission electron spectroscopy (PES) were employed to measure the surface symmetry, defect structure, relevant bond lengths, atomic coordination and electronic structure. By employing a multi-technique approach, it is possible to correlate changes in the geometric structure to specific features of the core-level lineshape of the substrate. This allows for the assignment of components of the core-level lineshape to be assigned to specific surface and near-surface atoms

Heat transfer in nucleate pool boiling of aqueous SDS and triton X-100 solutions

Energy Technology Data Exchange (ETDEWEB)

Wasekar, Vivek M. [Tata Steel Limited, Department of Research and Development, Jamshedpur (India)

2009-09-15

Variation in degree of surface wettability is presented through the application of Cooper's correlative approach (h{proportional_to}M{sup -0.5}q{sub w}''0.67) for computing enhancement ({phi}) in nucleate pool boiling of aqueous solutions of SDS and Triton X-100 and its presentation with Marangoni parameter ({chi}) that represents the dynamic convection effects due to surface tension gradients. Dynamic spreading coefficient defined as {sigma} {sub dyn}N{sub a}, which relates spreading and wetting characteristics with the active nucleation site density on the heated surface and bubble evolution process, represents cavity filling and activation process and eliminates the concentration dependence of nucleate pool boiling heat transfer in boiling of aqueous surfactant solutions. Using the dynamic spreading coefficient ({sigma}{sub dyn}N{sub a}=0.09q{sub w}''0.71), correlation predictions within {+-}15% for both SDS and triton X-100 solutions for low heat flux boiling condition (q{sub w}''{<=} 100 kW/m {sup 2}) characterised primarily by isolated bubble regime are presented. (orig.)

Monitoring the biomechanics of a wheelchair sprinter racing the 100 m final at the 2016 Paralympic Games

Science.gov (United States)

Barbosa, Tiago M.; Coelho, Eduarda

2017-07-01

The aim was to run a case study of the biomechanics of a wheelchair sprinter racing the 100 m final at the 2016 Paralympic Games. Stroke kinematics was measured by video analysis in each 20 m split. Race kinetics was estimated by employing an analytical model that encompasses the computation of the rolling friction, drag, energy output and energy input. A maximal average speed of 6.97 m s-1 was reached in the last split. It was estimated that the contributions of the rolling friction and drag force would account for 54% and 46% of the total resistance at maximal speed, respectively. Energy input and output increased over the event. However, we failed to note a steady state or any impairment of the energy input and output in the last few metres of the race. Data suggest that the 100 m is too short an event for the sprinter to be able to achieve his maximal power in such a distance.

Phonon dispersion on Ag (100) surface: A modified analytic embedded atom method study

International Nuclear Information System (INIS)

Zhang Xiao-Jun; Chen Chang-Le

2016-01-01

Within the harmonic approximation, the analytic expression of the dynamical matrix is derived based on the modified analytic embedded atom method (MAEAM) and the dynamics theory of surface lattice. The surface phonon dispersions along three major symmetry directions, and XM-bar are calculated for the clean Ag (100) surface by using our derived formulas. We then discuss the polarization and localization of surface modes at points X-bar and M-bar by plotting the squared polarization vectors as a function of the layer index. The phonon frequencies of the surface modes calculated by MAEAM are compared with the available experimental and other theoretical data. It is found that the present results are generally in agreement with the referenced experimental or theoretical results, with a maximum deviation of 10.4%. The agreement shows that the modified analytic embedded atom method is a reasonable many-body potential model to quickly describe the surface lattice vibration. It also lays a significant foundation for studying the surface lattice vibration in other metals. (paper)

Surface Roughness and Grain Size Characterization of Annealing Temperature Effect For Growth Gallium and Tantalum Doped Ba0.5 Sr0.5TiO3Thin Film

Directory of Open Access Journals (Sweden)

Irzaman

2009-01-01

Full Text Available Thin films 10 % gallium oxide doped barium strontium titanate (BGST and 10 % tantalum oxide doped barium strontium titanate (BTST were prepared on p-type Si (100 substrates using chemical solution deposition (CSD method with 1.00 M precursor. The films were deposited by spin coating method with spinning speed at 3000 rpm for 30 seconds. The post deposition annealing of the films were carried out in a furnace at 200oC, 240oC, 280oC (low temperature for 1 hour in oxygen gas atmosphere. The surface roughness and grain size analysis of the grown thin films are described by atomic force microscope (AFM method at 5000 nm x 5000 nm area. The rms surface roughness BGST thin films at 5000 nm x 5000 nm area are 0.632 nm, 0.564 nm, 0.487 nm for temperature 200oC, 240oC, 280oC, respectively, whereas the grain size (mean diameter are 238.4 nm, 219.0 nm, 185.1 nm for temperature 200oC, 240oC, 280oC, respectively. In fact, to increase annealing temperature from 200oC to 280oC would result in decreasing the rms roughness and grain size. Therefore, rms roughness and grain size would have the strong correlation annealing temperature.

Trampoline motions in Xe-graphite(0 0 0 1) surface scattering

Science.gov (United States)

Watanabe, Yoshimasa; Yamaguchi, Hiroki; Hashinokuchi, Michihiro; Sawabe, Kyoichi; Maruyama, Shigeo; Matsumoto, Yoichiro; Shobatake, Kosuke

2005-09-01

We have investigated Xe scattering from the graphite(0 0 0 1) surface at hyperthermal incident energies using a molecular beam-surface scattering technique and molecular dynamics simulations. For all incident conditions, the incident Xe atom conserves the momentum parallel to the surface and loses approximately 80% of the normal incident energy. The weak interlayer potential of graphite disperses the deformation over the wide range of a graphene sheet. The dynamic corrugation induced by the collision is smooth even at hyperthermal incident energy; the graphene sheet moves like a trampoline net and the Xe atom like a trampoliner.

Tailoring Si(100) substrate surfaces for GaP growth by Ga deposition: A low-energy electron microscopy study

Energy Technology Data Exchange (ETDEWEB)

Rienäcker, Michael; Borkenhagen, Benjamin, E-mail: b.borkenhagen@pe.tu-clausthal.de; Lilienkamp, Gerhard; Daum, Winfried [TU Clausthal, Institut für Energieforschung und Physikalische Technologien, Leibnizstraße 4, D-38678 Clausthal-Zellerfeld (Germany)

2015-08-07

For GaP-on-Si(100) heteroepitaxy, currently considered as a model system for monolithic integration of III–V semiconductors on Si(100), the surface steps of Si(100) have a major impact on the quality of the GaP film. Monoatomic steps cause antiphase domains in GaP with detrimental electronic properties. A viable route is to grow the III–V epilayer on single-domain Si(100) with biatomic steps, but preferably not at the expense of reduced terrace widths introduced by miscut substrates. We have performed in situ investigations of the influence of Ga deposition on the kinetics of surface steps and terraces of Si(100) at substrate temperatures above 600 °C by low-energy electron microscopy. Starting from nearly equally distributed T{sub A} and T{sub B} terraces of a two-domain Si(100) surface, submonolayer deposition of Ga results in a transformation into a surface dominated by T{sub A} terraces and biatomic D{sub A} steps. This transformation is reversible, and Si(100) with monoatomic steps is recovered upon termination of the Ga flux. Under conditions of higher coverages (but still below 0.25 monolayer), we observe restructuring into a surface with T{sub B} dominance, similar to the findings of Hara et al. [J. Appl. Phys. 98, 083515 (2005)]. The occurrence and mutual transformations of surface structures with different terrace and step structures in a narrow range of temperatures and Ga deposition rates is discussed.

Pulsed laser deposition of Pb(Zr0.52Ti0.48)O3 thin film on cobalt ferrite nano-seed layered Pt(111)/Si substrate: effect of oxygen pressure

Science.gov (United States)

Khodaei, M.; Seyyed Ebrahimi, S. A.; Park, Yong Jun; Song, Seungwoo; Jang, Hyun Myung; Son, Junwoo; Baik, Sunggi

2014-07-01

The effect of oxygen pressure during pulsed laser deposition of Pb(Zr0.52Ti0.48)O3 (PZT) thin films on CoFe2O4 nano-seed layered Pt(111)/Si substrate was investigated. The PZT film deposited at oxygen pressure lower than 25 mTorr is identified as both perovskite and pyrochlore phases and the films deposited at high oxygen pressure (50-100 mTorr) show the single-phase perovskite PZT that has a perfect (111)-orientation. In addition, the film deposited at PO2 of 50 mTorr has a uniform surface morphology, whereas the film deposited at PO2 of 100 mTorr has a non-uniform surface morphology and more incompacted columnar cross-section microstructure. The polarization of film deposited at 100 mTorr is higher than that deposited at 50 mTorr, but shift of the hysteresis loop along the electrical field axis in the film deposited at PO2 of 100 mTorr is larger than that of the film deposited at PO2 of 50 mTorr.

Q0 Degradation of LANL 700-MHZ β = 0.64 Elliptical Cavities and ANL 340 MHZ Spoke Cavities

International Nuclear Information System (INIS)

Tajima, Tsuyoshi; Chan, Kwok-Chi D.; Edwards, Randall L.; Gentzlinger, Robert C.; Kelley, John Patrick; Krawczyk, Frank L.; Madrid, Michael A.; Montoya, Debbie I.; Schrage, Dale L.; Shapiro, Alan H.

2002-01-01

The quality factor (Q 0 ) of most of the six LANL β = 0.64 700-MHz 5-cell elliptical cavities starts to drop at E acc = 8-10 MV/m, which may be related to multipacting. Residual resistances of these cavities were measured to be 5.0-7.6 n(Omega). The sensitivity of surface resistance to the external magnetic field was measured to be 0.22 n(Omega)/mG. Q disease tests have shown no significant Q 0 degradation for both elliptical cavities and a spoke cavity with our 100 (micro)m BCP.

Water dissociation on Ni(100) and Ni(111): Effect of surface temperature on reactivity

International Nuclear Information System (INIS)

Seenivasan, H.; Tiwari, Ashwani K.

2013-01-01

Water adsorption and dissociation on Ni(100) and Ni(111) surfaces are studied using density functional theory calculations. Water adsorbs on top site on both the surfaces, while H and OH adsorb on four fold hollow and three fold hollow (fcc) sites on Ni(100) and Ni(111), respectively. Transition states (TS) on both surfaces are identified using climbing image-nudged elastic band method. It is found that the barrier to dissociation on Ni(100) surface is slightly lower than that on Ni(111) surface. Dissociation on both the surfaces is exothermic, while the exothermicity on Ni(100) is large. To study the effect of lattice motion on the energy barrier, TS calculations are performed for various values of Q (lattice atom coordinate along the surface normal) and the change in the barrier height and position is determined. Calculations show that the energy barrier to reaction decreases with increasing Q and increases with decreasing Q on both the surfaces. Dissociation probability values at different surface temperatures are computed using semi-classical approximation. Results show that the influence of surface temperature on dissociation probability on the Ni(100) is significantly larger compared to that of Ni(111). Moreover, on Ni(100), a dramatic shift in energy barrier to lower incident energy values is observed with increasing surface temperature, while the shift is smaller in the case of Ni(111)

Two neutrino double-beta decay of 100Mo to the first excited 0+ state in 100Ru

International Nuclear Information System (INIS)

Barabash, A.S.; Avignone, F.T. III; Guerard, C.K.; Umatov, V.I.

1992-06-01

Double-beta decay from the ground state of 100 Mo to the O + excited state at 1,130.29 keV in 100 Ru has been observed. A sample of 956q of Mo metal powder isotopically enriched to 98.468% of 100 Mo was counted in a Marinelli geometry with a well shielded, ultralow-background germanium detector. The cascade gamma-rays at 539.53 and 590.76 keV were observed. The resulting decay half-life is 1.1 -0.2 +0.3 x 10 21 y at 68% CL

Comparison of weekly administration of cisplatin versus three courses of cisplatin 100 mg/m2 for definitive radiochemotherapy of locally advanced head-and-neck cancers

International Nuclear Information System (INIS)

Rades, Dirk; Seidl, Daniel; Janssen, Stefan; Bajrovic, Amira; Karner, Katarina; Strojan, Primoz; Schild, Steven E

2016-01-01

To compare definitive radiochemotherapy with weekly administration of 30–40 mg/m 2 of cisplatin to 100 mg/m 2 of cisplatin on days 1, 22 and 43 for outcomes and toxicity in patients with squamous cell carcinoma of the head-and-neck. Seventy-five patients receiving radiochemotherapy with weekly cisplatin (30–40 mg/m 2 ) were compared to 58 patients receiving radiochemotherapy with 100 mg/m 2 cisplatin on days 1, 22 and 43. Radiochemotherapy regimen plus seven characteristics (age, gender, performance score, tumor site, T-/N-category, histologic grading) were evaluated for locoregional control (LRC), metastases-free survival (MFS) and overall survival (OS). Radiochemotherapy groups were compared for toxicity. On multivariate analysis, improved LRC was associated with cisplatin 100 mg/m 2 (hazard ratio [HR] 1.57; p = 0.008) and female gender (HR 4.37; p = 0.003). Radiochemotherapy regimen was not significantly associated with MFS on univariate analysis (p = 0.66). On multivariate analysis, better MFS was associated with ECOG performance score 0–1 (HR 5.63; p < 0.001) and histological grade 1–2 (HR 1.81; p = 0.002). On multivariate analysis, improved OS was associated with cisplatin 100 mg/m 2 (HR 1.33; p = 0.023), ECOG performance score 0–1 (HR 2.15; p = 0.029) and female gender (HR 1.98; p = 0.026). Cisplatin 100 mg/m 2 was associated with higher rates of grade ≥3 hematotoxicity (p = 0.004), grade ≥2 renal failure (p = 0.004) and pneumonia/sepsis (p = 0.033). Radiochemotherapy with 100 mg/m 2 of cisplatin every 3 weeks resulted in better LRC and OS than weekly doses of 30–40 mg/m 2 . Given the limitations of a retrospective study, 100 mg/m 2 of cisplatin appears preferable. Since this regimen was associated with considerable acute toxicity, patients require close monitoring

M-dwarf exoplanet surface density distribution. A log-normal fit from 0.07 to 400 AU

Science.gov (United States)

Meyer, Michael R.; Amara, Adam; Reggiani, Maddalena; Quanz, Sascha P.

2018-04-01

Aims: We fit a log-normal function to the M-dwarf orbital surface density distribution of gas giant planets, over the mass range 1-10 times that of Jupiter, from 0.07 to 400 AU. Methods: We used a Markov chain Monte Carlo approach to explore the likelihoods of various parameter values consistent with point estimates of the data given our assumed functional form. Results: This fit is consistent with radial velocity, microlensing, and direct-imaging observations, is well-motivated from theoretical and phenomenological points of view, and predicts results of future surveys. We present probability distributions for each parameter and a maximum likelihood estimate solution. Conclusions: We suggest that this function makes more physical sense than other widely used functions, and we explore the implications of our results on the design of future exoplanet surveys.

PELATIHAN LARI INTERVAL 8 X 100 M, LEBIH BAIK DARI PELATIHAN LARI INTERVAL 4 X 200 M DAN 2 X 400 M DALAM MENINGKATKAN KECEPATAN LARI 400 M SISWA SMK NEGERI 5 DENPASAR

Directory of Open Access Journals (Sweden)

Ni Ketut Ayu Juliasih

2013-07-01

Full Text Available This study aimed to assess the increase of speed of the 400 m running obtained from a training of interval running of 800 m distance programmed  in three types of models and to find out which one of the three training models gave the greatest improvement of speed. The three models of training were interval sprint of 8 x 100 meters, 4 x 200 meters, and 2 x 400 meters, carried out in 4 sets, 3 times a week, for a 6 week duration. This study was an experimental study using the Randomized Pre and Post Test Group Design. The study subjects comprised 24 students of SMK Negeri 5 Denpasar, who were divided into 3 groups of 8 students each. Group 1 was assigned to 8 x 100 m run, group 2 to 4 x 200 m run, and group 3 to 2 x 400 m run training, respectively. The data were analyzed accordingly with the test of T-Paired, One-way Anova, and LSD. The result of the T-Paired test on each group before anf after training showed a significant mprovement of the running speed (p<0.05. Therefore, indicating an improvement of 400 m running speed was achieved in each group. The One-Way Anova test showed a significant difference was found among the three groups in the increase of running speed obtained after training (p<0.05. The LSD test showed there was a significant difference of the increase of running speed between Group 1 and 2, and between Group 1 and 3 (p<0.05. There was no significant difference of speed found between Group 2 and 3 (p>0.05. Therefore, the training of interval 8 x 100 meters run was more effective in increasing the running speed as compared with interval 4 x 200 meters and 2 x 400 meters run, respectively, among the students of SMK 5 Denpasar.

Structural, electronic and magnetic properties of Mn{sub 3}N{sub 2}(0 0 1) surfaces

Energy Technology Data Exchange (ETDEWEB)

Guerrero-Sánchez, J., E-mail: guerrero@ifuap.buap.mx [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States); Benemérita Universidad Autónoma de Puebla, Instituto de Física “Ing Luis Rivera Terrazas”, Apartado Postal J-48, Puebla 72570 (Mexico); Mandru, Andrada-Oana; Wang, Kangkang [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States); Takeuchi, Noboru [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States); Centro de Nanociencias y Nanotecnologia, Universidad Nacional Autónoma de México, Apartado Postal 14, Ensenada, Baja California, Codigo Postal 22800 (Mexico); Cocoletzi, Gregorio H. [Benemérita Universidad Autónoma de Puebla, Instituto de Física “Ing Luis Rivera Terrazas”, Apartado Postal J-48, Puebla 72570 (Mexico); Smith, Arthur R. [Department of Physics and Astronomy, Nanoscale and Quantum Phenomena Institute, Ohio University, Athens, OH 45701 (United States)

2015-11-15

Graphical abstract: - Abstract: Spin-polarized first-principles total energy calculations have been performed to study the structural, electronic and magnetic properties of Mn{sub 3}N{sub 2}(0 0 1) surfaces. It is found that three surface terminations are energetically stable, in agreement with previous scanning tunneling microscopy experiments that have found three different electronic contrasts in their images. It is also found that in all three cases, the topmost layer has a MnN stoichiometry. Density of states calculations show a metallic behavior for all the stable structures with the most important contribution close to the Fermi level coming from the Mn-d orbitals. Our Tersoff–Hamann scanning tunneling microscopy simulations are in good agreement with previous experimental results.

VT Data - Lidar nDSM (0.7m) 2015, Windham County

Data.gov (United States)

Vermont Center for Geographic Information — (Link to Metadata) This metadata applies to the following collection area(s): Windham County 2015 0.7m and related 'normalized' Digital Surface Model (nDSM). Created...

DFT study of the adsorption of the corrosion inhibitor 2-mercaptoimidazole onto Fe(1 0 0) surface

International Nuclear Information System (INIS)

Radilla, Juan; Negrón-Silva, Guillermo E.; Palomar-Pardavé, Manuel; Romero-Romo, Mario; Galván, Marcelo

2013-01-01

Graphical abstract: - Highlights: • Work functions and surface energies for a set of iron surfaces were obtained by DFT. • Fe(1 0 0) surface was chosen to address the adsorption study of 2-mercaptoimidazole. • 2-Mercaptoimidazole adsorbs planarly onto Fe(1 0 0) with −1.26 eV as adsorption energy. • Deprotonation of the thiol group and dropping of the entire thiol group were found too. • 2-Mercaptoimidazole received 0.88 of an electron mainly through its aromatic ring. - Abstract: From quantum mechanical calculations, based on density functional theory and using the pseudopotentials plane-wave method, in the first part of this work, a set of iron surfaces namely: (1 1 0), (1 0 0), (1 1 1) and (3 1 1) have been modeled and their work functions and surface energies calculated. It was found that the Fe(1 0 0) surface displayed the highest surface energy (2.43 J m −2 ), the lowest work function (3.95 eV) and the lowest coordination number too, thus furnishing the conditions for the interaction with the organic molecule. In the second part, the bonding structure for 2-mercaptoimidazole, 2MI, adsorbed onto Fe(1 0 0) surface has been studied and the geometry optimized; the adsorption energy (−1.26 eV), the Bader analysis and the bonding structure are presented and discussed. In these calculations, different adsorption sites of the Fe(1 0 0) surface, such as top, bridge and hollow were considered. The energetically most favored adsorption geometry shows the aromatic 2MI ring in a parallel position with respect to the surface, the charge transfer flows from the metallic surface to the inhibitor mainly through the adsorbate's carbon and sulfur atoms. Two dissociation processes were found: one related to deprotonation of the thiol group, and the other to releasing the entire thiol group. They were lower in energy by about 0.33 eV and 1.42 eV, respectively, than the adsorption energy of the molecule as a whole

Inhibition of biofilm formation on the surface of water storage containers using biosand zeolite silver-impregnated clay granular and silver impregnated porous pot filtration systems.

Science.gov (United States)

Budeli, Phumudzo; Moropeng, Resoketswe Charlotte; Mpenyana-Monyatsi, Lizzy; Momba, Maggie Ndombo Benteke

2018-01-01

Development of biofilms occurring on the inner surface of storage vessels offers a suitable medium for the growth of microorganisms and consequently contributes to the deterioration of treated drinking water quality in homes. The aim of this study was to determine whether the two point-of-use technologies (biosand zeolite silver-impregnated clay granular (BSZ-SICG) filter and silver-impregnated porous pot (SIPP) filter) deployed in a rural community of South Africa could inhibit the formation of biofilm on the surface of plastic-based containers generally used by rural households for the storage of their drinking water. Culture-based methods and molecular techniques were used to detect the indicator bacteria (Total coliforms, faecal coliform, E. coli) and pathogenic bacteria (Salmonella spp., Shigella spp. and Vibrio cholerae) in intake water and on the surface of storage vessels containing treated water. Scanning electron microscopy was also used to visualize the development of biofilm. Results revealed that the surface water source used by the Makwane community was heavily contaminated and harboured unacceptably high counts of bacteria (heterotrophic plate count: 4.4-4.3 Log10 CFU/100mL, total coliforms: 2.2 Log10 CFU/100 mL-2.1 Log10 CFU/100 mL, faecal coliforms: 1.9 Log10 CFU/100 mL-1.8 Log10 CFU/100 mL, E. coli: 1.7 Log10 CFU/100 mL-1.6 Log10 CFU/100 mL, Salmonella spp.: 3 Log10 CFU/100 mL -8 CFU/100 mL; Shigella spp. and Vibrio cholerae had 1.0 Log10 CFU/100 mL and 0.8 Log10 CFU/100 mL respectively). Biofilm formation was apparent on the surface of the storage containers with untreated water within 24 h. The silver nanoparticles embedded in the clay of the filtration systems provided an effective barrier for the inhibition of biofilm formation on the surface of household water storage containers. Biofilm formation occurred on the surface of storage plastic vessels containing drinking water treated with the SIPP filter between 14 and 21 days, and on those

Inhibition of biofilm formation on the surface of water storage containers using biosand zeolite silver-impregnated clay granular and silver impregnated porous pot filtration systems

Science.gov (United States)

Moropeng, Resoketswe Charlotte; Mpenyana-Monyatsi, Lizzy; Momba, Maggie Ndombo Benteke

2018-01-01

Development of biofilms occurring on the inner surface of storage vessels offers a suitable medium for the growth of microorganisms and consequently contributes to the deterioration of treated drinking water quality in homes. The aim of this study was to determine whether the two point-of-use technologies (biosand zeolite silver-impregnated clay granular (BSZ-SICG) filter and silver-impregnated porous pot (SIPP) filter) deployed in a rural community of South Africa could inhibit the formation of biofilm on the surface of plastic-based containers generally used by rural households for the storage of their drinking water. Culture-based methods and molecular techniques were used to detect the indicator bacteria (Total coliforms, faecal coliform, E. coli) and pathogenic bacteria (Salmonella spp., Shigella spp. and Vibrio cholerae) in intake water and on the surface of storage vessels containing treated water. Scanning electron microscopy was also used to visualize the development of biofilm. Results revealed that the surface water source used by the Makwane community was heavily contaminated and harboured unacceptably high counts of bacteria (heterotrophic plate count: 4.4–4.3 Log10 CFU/100mL, total coliforms: 2.2 Log10 CFU/100 mL—2.1 Log10 CFU/100 mL, faecal coliforms: 1.9 Log10 CFU/100 mL—1.8 Log10 CFU/100 mL, E. coli: 1.7 Log10 CFU/100 mL—1.6 Log10 CFU/100 mL, Salmonella spp.: 3 Log10 CFU/100 mL -8 CFU/100 mL; Shigella spp. and Vibrio cholerae had 1.0 Log10 CFU/100 mL and 0.8 Log10 CFU/100 mL respectively). Biofilm formation was apparent on the surface of the storage containers with untreated water within 24 h. The silver nanoparticles embedded in the clay of the filtration systems provided an effective barrier for the inhibition of biofilm formation on the surface of household water storage containers. Biofilm formation occurred on the surface of storage plastic vessels containing drinking water treated with the SIPP filter between 14 and 21 days, and on

Laser surface pretreatment of 100Cr6 bearing steel – Hardening effects and white etching zones

International Nuclear Information System (INIS)

Buling, Anna; Sändker, Hendrik; Stollenwerk, Jochen; Krupp, Ulrich; Hamann-Steinmeier, Angela

2016-01-01

Highlights: • Laser surface pretreatment of the bearing steel 100Cr6 is performed. • Microstructural changes of the surface are examined by light microscopy and SEM. • Topographical changes are observed using white light interferometry. • Micro-hardness testing show the existence of very hard white etching zones (WEZ). • WEZ are attributed to near-surface reaustenitization and rapid quenching. • Dark etching zones (DEZ) are found at the laser path edges after laser pretreatment. - Abstract: In order to achieve a surface pretreatment of the bearing steel 100Cr6 (1–1.5 wt.% Cr) a laser-based process was used. The obtained modification may result in an optimization of the adhesive properties of the surface with respect to an anticorrosion polymer coating on the basis of PEEK (poly-ether-ether-ketone), which is applied on the steel surface by a laser melting technique. This work deals with the influence of the laser-based pretreatment regarding the surface microstructure and the micro-hardness of the steel, which has been examined by scanning electron microscopy (SEM), light microscopy and automated micro-hardness testing. The most suitable parameter set for the laser-based pretreatment leads to the formation of very hard white etching zones (WEZ) with a thickness of 23 μm, whereas this pretreatment also induces topographical changes. The occurrence of the white etching zones is attributed to near-surface re-austenitization and rapid quenching. Moreover, dark etching zones (DEZ) with a thickness of 32 μm are found at the laser path edges as well as underneath the white etching zones (WEZ). In these areas, the hardness is decreased due to the formation of oxides as a consequence of re-tempering.

Laser surface pretreatment of 100Cr6 bearing steel – Hardening effects and white etching zones

Energy Technology Data Exchange (ETDEWEB)

Buling, Anna, E-mail: a.buling@hs-osnabrueck.de [Faculty of Engineering and Computer Science, University of Applied Sciences, 49009 Osnabrück (Germany); Sändker, Hendrik; Stollenwerk, Jochen [Fraunhofer Institute for Laser Technology ILT, Steinbachstrasse 15, 52074 Aachen (Germany); Krupp, Ulrich; Hamann-Steinmeier, Angela [Faculty of Engineering and Computer Science, University of Applied Sciences, 49009 Osnabrück (Germany)

2016-08-15

Highlights: • Laser surface pretreatment of the bearing steel 100Cr6 is performed. • Microstructural changes of the surface are examined by light microscopy and SEM. • Topographical changes are observed using white light interferometry. • Micro-hardness testing show the existence of very hard white etching zones (WEZ). • WEZ are attributed to near-surface reaustenitization and rapid quenching. • Dark etching zones (DEZ) are found at the laser path edges after laser pretreatment. - Abstract: In order to achieve a surface pretreatment of the bearing steel 100Cr6 (1–1.5 wt.% Cr) a laser-based process was used. The obtained modification may result in an optimization of the adhesive properties of the surface with respect to an anticorrosion polymer coating on the basis of PEEK (poly-ether-ether-ketone), which is applied on the steel surface by a laser melting technique. This work deals with the influence of the laser-based pretreatment regarding the surface microstructure and the micro-hardness of the steel, which has been examined by scanning electron microscopy (SEM), light microscopy and automated micro-hardness testing. The most suitable parameter set for the laser-based pretreatment leads to the formation of very hard white etching zones (WEZ) with a thickness of 23 μm, whereas this pretreatment also induces topographical changes. The occurrence of the white etching zones is attributed to near-surface re-austenitization and rapid quenching. Moreover, dark etching zones (DEZ) with a thickness of 32 μm are found at the laser path edges as well as underneath the white etching zones (WEZ). In these areas, the hardness is decreased due to the formation of oxides as a consequence of re-tempering.

Bone surface deposition of 241Am in a person with occupational exposure

International Nuclear Information System (INIS)

Schlenker, R.A.; Oltman, B.G.; Kathren, R.L.

1989-01-01

We have measured the 241 Am concentrations in the vicinity of bone surfaces in 11 samples of cortical bone from a man whose occupational exposure occurred 25 to 27 years before death. Concentrations in bone surface deposits ranged between 44 and 185 Bq.cm -3 ; concentrations in subjacent bone ranged between 0 and 8.4 Bq.cm -3 . Thicknesses of the bone surface deposits were in the range 0.6 to 1.2 μm. An analysis of dose rates indicates that bone surface deposits contributed 40% or more of the terminal dose rate to bone surface tissues. Half-lives for the reduction of bone surface concentrations are estimated at 4.8 to 24 years, compared with the 50-and 100-year estimates recommended in current ICRP publications. These data are important for the estimation of the dose rate to bone surface tissues for radiation protection. (author)

Tribological performance of sub-100-nm femtosecond laser-induced periodic surface structures on titanium

Energy Technology Data Exchange (ETDEWEB)

Bonse, J., E-mail: joern.bonse@bam.de [BAM Bundesanstalt für Materialforschung und -prüfung, Unter den Eichen 87, D-12205 Berlin (Germany); Höhm, S. [Max-Born-Institut für Nichtlineare Optik und Kurzzeitspektroskopie (MBI), Max-Born-Straße 2A, D-12489 Berlin (Germany); Koter, R.; Hartelt, M.; Spaltmann, D.; Pentzien, S. [BAM Bundesanstalt für Materialforschung und -prüfung, Unter den Eichen 87, D-12205 Berlin (Germany); Rosenfeld, A. [Max-Born-Institut für Nichtlineare Optik und Kurzzeitspektroskopie (MBI), Max-Born-Straße 2A, D-12489 Berlin (Germany); Krüger, J. [BAM Bundesanstalt für Materialforschung und -prüfung, Unter den Eichen 87, D-12205 Berlin (Germany)

2016-06-30

Graphical abstract: - Highlights: • Large areas covered with sub-100 nm LIPSS (HSFL) were manufactured by fs-laser irradiation on titanium surfaces. • Tribological performance of HSFL covered areas was qualified in reciprocal sliding tests in two different lubricating oils. • HSFL on titanium do not endure the tribological tests. • For a beneficial tribological performance, the tribological sample deformation must be smaller than the LIPSS modulation depth. - Abstract: Sub-100-nm laser-induced periodic surface structures (LIPSS) were processed on bulk titanium (Ti) surfaces by femtosecond laser pulse irradiation in air (30 fs pulse duration, 790 nm wavelength). The laser peak fluence, the spatial spot overlap, and the number of overscans were optimized in a sample-scanning geometry in order to obtain large surface areas (5 mm × 5 mm) covered homogeneously by the LIPSS. The laser-processed regions were characterized by optical microscopy (OM), white light interference microscopy (WLIM) and scanning electron microscopy (SEM). The friction coefficient of the nanostructured surfaces was tested during 1000 cycles under reciprocal sliding conditions (1 Hz, 1.0 N normal load) against a 10-mm diameter ball of hardened 100Cr6 steel, both in paraffin oil and in engine oil used as lubricants. Subsequently, the corresponding wear tracks were qualified by OM, SEM, and energy dispersive X-ray analyses (EDX). The results of the tribological tests are discussed and compared to that obtained for near wavelength-sized fs-LIPSS, processed under somewhat different irradiation conditions. Some constraints for a beneficial effect of LIPSS on the tribological performance are provided.

Tribological performance of sub-100-nm femtosecond laser-induced periodic surface structures on titanium

International Nuclear Information System (INIS)

Bonse, J.; Höhm, S.; Koter, R.; Hartelt, M.; Spaltmann, D.; Pentzien, S.; Rosenfeld, A.; Krüger, J.

2016-01-01

Graphical abstract: - Highlights: • Large areas covered with sub-100 nm LIPSS (HSFL) were manufactured by fs-laser irradiation on titanium surfaces. • Tribological performance of HSFL covered areas was qualified in reciprocal sliding tests in two different lubricating oils. • HSFL on titanium do not endure the tribological tests. • For a beneficial tribological performance, the tribological sample deformation must be smaller than the LIPSS modulation depth. - Abstract: Sub-100-nm laser-induced periodic surface structures (LIPSS) were processed on bulk titanium (Ti) surfaces by femtosecond laser pulse irradiation in air (30 fs pulse duration, 790 nm wavelength). The laser peak fluence, the spatial spot overlap, and the number of overscans were optimized in a sample-scanning geometry in order to obtain large surface areas (5 mm × 5 mm) covered homogeneously by the LIPSS. The laser-processed regions were characterized by optical microscopy (OM), white light interference microscopy (WLIM) and scanning electron microscopy (SEM). The friction coefficient of the nanostructured surfaces was tested during 1000 cycles under reciprocal sliding conditions (1 Hz, 1.0 N normal load) against a 10-mm diameter ball of hardened 100Cr6 steel, both in paraffin oil and in engine oil used as lubricants. Subsequently, the corresponding wear tracks were qualified by OM, SEM, and energy dispersive X-ray analyses (EDX). The results of the tribological tests are discussed and compared to that obtained for near wavelength-sized fs-LIPSS, processed under somewhat different irradiation conditions. Some constraints for a beneficial effect of LIPSS on the tribological performance are provided.

Structural stability and the electronic and magnetic properties of ferrimagnetic Mn_4N(0 0 1) surfaces

International Nuclear Information System (INIS)

Guerrero-Sánchez, J.; Takeuchi, Noboru

2017-01-01

Highlights: • Surface formation energy calculations demonstrate a N-dependent stability. • The magnetic alignment of these surfaces remains bulk-like, in a ferrimagnetic fashion. • A ferrimagnetic behavior in both structures is confirmed by density of states calculations. - Abstract: We have carried out spin-polarized first principles calculations to describe the surface stability and the electronic and magnetic properties of Mn_4N(0 0 1) surfaces. Results show two different surface terminations with different N content. The surface formation energies indicate that for manganese rich conditions the most stable structure is a MnN terminated surface. Whereas, from intermediate to nitrogen rich conditions, a MnN terminated surface with excess of nitrogen atoms is the most favorable. The stability of these surfaces can be traced to the formation of Mn–N bonds at the surface. The stable surfaces are Ferrimagnetic along the direction perpendicular to the surface, retaining a bulk-like behavior. However, there is a decrease in the Mn magnetic moments due to the presence of the surface. Density of states shows an asymmetric behavior, inherent of a Ferrimagnetic state. Finally, the surfaces are metallic with the main contributions around the Fermi level coming from the Mn-d orbitals. The knowledge about the atomic arrangements of the Mn_4N surfaces may serve to explain and understand the formation of more complex and technologically applicable ferromagnetic/ferrimagnetic and antiferromagnetic/ferrimagnetic heterostructures.

Nanomagnets La0.8Pb0.2(Fe0.8Co0.2)O3 assembled with a bonded surface graphene oxide: sensitive for sensing small gas molecules.

Science.gov (United States)

Bhargav, K K; Ram, S; Majumder, S B

2012-04-01

Nanocrystallites La0.8Pb0.2(Fe0.8Co0.2)O3 (LPFC) when bonded through a surface layer (carbon) in small ensembles display surface sensitive magnetism useful for biological probes, electrodes, and toxic gas sensors. A simple dispersion and hydrolysis of the salts in ethylene glycol (EG) in water is explored to form ensembles of the nanocrystallites (NCs) by combustion of a liquid precursor gel slowly in microwave at 70-80 dgrees C (apparent) in a closed container in air. In a dilute sample, the EG molecules mediate hydrolyzed species to configure in small groups in process to form a gel. Proposed models describe how a residual carbon bridges a stable bonded layer of a graphene-oxide-like hybrid structure on the LPFC-NCs in attenuating the magnetic structure. SEM images, measured from a pelletized sample which was used to study the gas sensing features in terms of the electrical resistance, describe plate shaped NCs, typically 30-60 nm widths, 60-180 nm lengths and -50 m2/g surface area (after heating at -750 degrees C). These NCs are arranged in ensembles (200-900 nm size). As per the X-ray diffraction, the plates (a Pnma orthorhombic structure) bear only small strain -0.0023 N/m2 and oxygen vacancies. The phonon and electronic bands from a bonded surface layer disappear when it is etched out slowly by heating above 550 degrees C in air. The surface layer actively promotes selective H2 gas sensor properties.

Formation of Germa-ketenimine on the Ge(100) Surface by Adsorption of tert-Butyl Isocyanide.

Science.gov (United States)

Shong, Bonggeun; Yoo, Jong Suk; Sandoval, Tania E; Bent, Stacey F

2017-06-28

Reactions of the (100) surfaces of Ge and Si with organic molecules have been generally understood within the concept of "dimers" formed by the 2 × 1 surface reconstruction. In this work, the adsorption of tert-butyl isocyanide on the Ge(100)-2 × 1 surface at large exposures is investigated under ultrahigh vacuum conditions. A combination of infrared spectroscopy, X-ray photoelectron spectroscopy, and temperature-programmed desorption experiments along with dispersion-corrected density functional theory calculations is used to determine the surface products. Upon adsorption of a dense monolayer of tert-butyl isocyanide, a product whose structure resembles a germa-ketenimine (N=C=Ge) with σ donation toward and π back-donation from the Ge(100) surface appears. Formation of this structure involves divalent-type surface Ge atoms that arise from cleavage of the Ge(100)-2 × 1 surface dimers. Our results reveal an unprecedented class of reactions of organic molecules at the Ge(100) surface.

Hydrogen dissociation and incorporation on Mg{sub 17}Al{sub 12}(100) surface: A density functional theory study

Energy Technology Data Exchange (ETDEWEB)

Ning, Hua [Guangxi Key Laboratory for Relativistic Astrophysics, Guangxi Colleges and Universities Key Laboratory of Novel Energy Materials and Related Technology, College of Physics Science and Technology, Guangxi University, Nanning 530004 (China); Guangxi Collaborative Innovation Center of Structure and Property for New Energy and Materials, School of Material Science and Engineering, Guilin University of Electronic Technology, Guilin 541004 (China); Zhou, Zhiyan; Zhang, Ziyan [Guangxi Key Laboratory for Relativistic Astrophysics, Guangxi Colleges and Universities Key Laboratory of Novel Energy Materials and Related Technology, College of Physics Science and Technology, Guangxi University, Nanning 530004 (China); Zhou, Wenzheng; Li, Guangxu [Guangxi Key Laboratory for Relativistic Astrophysics, Guangxi Colleges and Universities Key Laboratory of Novel Energy Materials and Related Technology, College of Physics Science and Technology, Guangxi University, Nanning 530004 (China); Guangxi Collaborative Innovation Center of Structure and Property for New Energy and Materials, School of Material Science and Engineering, Guilin University of Electronic Technology, Guilin 541004 (China); Guo, Jin, E-mail: guojin@gxu.edu.cn [Guangxi Key Laboratory for Relativistic Astrophysics, Guangxi Colleges and Universities Key Laboratory of Novel Energy Materials and Related Technology, College of Physics Science and Technology, Guangxi University, Nanning 530004 (China); Guangxi Collaborative Innovation Center of Structure and Property for New Energy and Materials, School of Material Science and Engineering, Guilin University of Electronic Technology, Guilin 541004 (China)

2017-02-28

Highlights: • Hydrogen adsorption, dissociation, and penetration on (in) Mg{sub 17}Al{sub 12} (100) surface are studied. • Hydrogen molecules are dissociated on the surface with barrier of 0.63 eV. • The maximum barrier energy for atomic hydrogen penetration into the subsurface is ∼0.7 eV. • The hybridization between the s orbital of H and the s orbitals of Mg is major. - Abstract: Hydrogen adsorption, dissociation, and penetration on (in) Mg{sub 17}Al{sub 12} (100) surface are studied extensively by DFT total-energy calculations. The adsorption geometries, dissociation barriers, various diffusion pathways, penetrative processes, and electronic structures were investigated. Results show that the atomic and molecular hydrogen forms prefer to be adsorbed on the Mg3-Mg3 bridge sites (C sites). Hydrogen molecules are dissociated on the surface with the minimum barrier energy of 0.63 eV. There are two stages in the process of hydrogen incorporation, which are hydrogen diffusion on the surface and the penetration from the surface into the subsurface. Two possible pathways of atomic hydrogen penetration from surface into subsurface are found. The calculations of electronic structures show that the hybridization between the s orbital of H and the s orbitals of Mg is major. The Mg-Mg bond on the outmost surface is shortened from 4.48 Å to 3.30 Å after the hydrogen adsorption on C sites, showing the strong interaction between Mg and H atoms.

Surface circulation patterns in the Gulf of California derived from MODIS Aqua 250 m

Science.gov (United States)

Martínez-Flores, G.; Salinas-González, F.; Gutiérrez de Velasco-Sanromán, G.; Godínez-Orta, L.

2009-04-01

The Gulf of California (GC) is a marginal elongated and semi-enclosed sea located at northwest of Mexico, between the Peninsula of Baja California and the mainland Mexico. The considered area average 150 km in width and 1500 km in length, from the mouth of the Colorado River to Cabo Corrientes, Jalisco. It has a maximum depth of 3600 m at the southern inlet and the northern region average 200 m in deep. The study of superficial circulation patterns in the GC is of interest because its relevance to the mechanisms of transport for distribution of a variety of materials -plankton, contaminants, microalgae, etc.- and its association with areas of sedimentary deposits, zones where there is a higher probability for fishing or related to the presence of certain species of marine life. Recent studies explain the circulation of the GC as a result of the Pacific Ocean's forcing, wind, heat fluxes on the sea surface and the interaction between the flow produced by these agents and bathymetry. The objective of this work was to obtain evidence of the patterns of surface circulation using a spatial resolution of 250 m over a period of two to seven days (depending on cloud cover), which offered images from the MODIS Level 1B. This essay is an attempt to contribute with more information to the understanding of the regional dynamics of the GC and its local influence on the zones bordering the coast. Thus, MODIS Aqua 250 m data was used, to which algorithms were applied in order to enhance the contrast of reflectance levels of these bands (0.620-0.670 and 0.841-0.876 µm) within the marine environment. The results are associated with suspended particulate matter (SPM), which we used as tracers of the surface circulation, using a sequence of images from January 2004 to December 2008. Algorithms for dust and cloud detection were used and incorporated with thermal band images, in which zones of terrigenous contribution by eolian transport were identified. Furthermore, pluvial

Unexpectedly high soil organic carbon stocks under impervious surfaces contributed by urban deep cultural layers

Science.gov (United States)

Bae, J.; Ryu, Y.

2017-12-01

The expansion of urban artificial structures has altered the spatial distribution of soil organic carbon (SOC) stocks. The majority of the urban soil studies within the land-cover types, however, focused on top soils despite the potential of deep soils to store large amounts of SOC. Here, we investigate vertical distribution of SOC stocks in both impervious surfaces (n = 11) and adjacent green spaces (n = 8) to a depth of 4 m with in an apartment complex area, Seoul, Republic of Korea. We found that more than six times differences in SOC stocks were observed at 0-1 m depth between the impervious surfaces (1.90 kgC m-2) and the green spaces (12.03 kgC m-2), but no significant differences appeared when comparing them at the depth of 0-4 m. We found "cultural layers" with the largest SOC stocks at 1-2 m depth in the impervious surfaces (15.85 kgC m-2) and 2-3 m depths in urban green spaces (12.52 kgC m-2). Thus, the proportions of SOC stocks at the 0-1 m depth to the total of 0-4 m depth were 6.83% in impervious surfaces and 32.15% in urban green spaces, respectively. The 13C and 15N stable isotope data with historical aerial photographs revealed that the cropland which existed before 1978 formed the SOC in the cultural layers. Our results highlight that impervious surface could hold large amount of SOC stock which has been overlooked in urban carbon cycles. We believe this finding will help city planners and policy makers to develop carbon management programs better towards sustainable urban ecosystems.

Study of Cs adsorption on Ga(Mg)0.75Al0.25N (0 0 0 1) surface: A first principle calculation

International Nuclear Information System (INIS)

Yang, Mingzhu; Chang, Benkang; Hao, Guanghui; Guo, Jing; Wang, Honggang; Wang, Meishan

2013-01-01

In order to study the activation process of Ga 1−x Al x N photocathodes theoretically, models of Cs adsorption on Ga(Mg) 0.75 Al 0.25 N (0 0 0 1) surface are built, then the atomic structure, electronic structure, adsorption energy, work function, dipole moment and optical properties of the models are calculated. All calculations are carried out using Cambridge Serial Total Energy Package (CASTEP) based on first principle. Results show that Cs adsorption on Mg doping Ga 1−x Al x N (0 0 0 1) surface can reduce work function of the surface, and the favorite adsorption site is on the top of p-type impurity. Cs adsorption on p-type Ga 1−x Al x N (0 0 0 1) surface can produce the structure of p-type bulk with n-type surface, which is helpful to surface band bend downward and decrease electron affinity seriously. The absorption coefficient of Cs adsorption system is less than that of the clean surface. Theoretical study of Cs adsorption on Ga 1−x Al x N (0 0 0 1) surface can help to improve activation technology of Ga 1−x Al x N photocathodes.

Study of Cs adsorption on (100) surface of [001]-oriented GaN nanowires: A first principle research

Energy Technology Data Exchange (ETDEWEB)

Xia, Sihao [Department of Optoelectronic Technology, School of Electronic and Optical Engineering, Nanjing University of Science and Technology Nanjing, 210094 (China); Liu, Lei, E-mail: liu1133_cn@sina.com.cn [Department of Optoelectronic Technology, School of Electronic and Optical Engineering, Nanjing University of Science and Technology Nanjing, 210094 (China); Kong, Yike [Department of Optoelectronic Technology, School of Electronic and Optical Engineering, Nanjing University of Science and Technology Nanjing, 210094 (China); Wang, Honggang; Wang, Meishan [School of Information and Electrical Engineering, Ludong University, Yantai 264025 (China)

2016-11-30

Highlights: • B{sub N} is the most stable adsorption site. • Work function is reduced after Cs adsorption. • Surface atomic structures are reconstructed. • Surface states near fermi level is contributed to the hybridization of Cs 5s state with Ga 4p and N 2p state. • NEA surface is demonstrated after Cs adsorption on GaN nanowire surface. - Abstract: Based on first-principle study, the adsorption mechanism of Cs on (100) crystal plane of GaN nanowire surface with coverage of 1/12 monolayer is explored. It is discovered that the most stable adsorption site is B{sub N} because of its lowest adsorption energy. The work function of GaN nanowire surface is reduced by 1.69 eV and will be further reduced with increasing Cs adsorption, which promotes the development of negative electron affinity (NEA) state of the materials. Furthermore, Cs adatom will make a great influence on the surface atomic structure, oppositely, little influence on the center atomic structure. There appears a dipole moment valued −6.93 Debye on the nanowire surface contributed to the formation the heterojunction on the surface, which is beneficial to the photoelectrons liberation. After Cs adsorption, the valence band and conduction band both move to lower energy side. The surface states mainly result from the hybridization of Cs 5s state with Ga 4p state and N 2p state. This study can help us to further experiment on the Cs adsorption processing on GaN nanowire and improve the photoemission performance of GaN nanowire devices.

Study of Cs adsorption on (100) surface of [001]-oriented GaN nanowires: A first principle research

International Nuclear Information System (INIS)

Xia, Sihao; Liu, Lei; Kong, Yike; Wang, Honggang; Wang, Meishan

2016-01-01

Highlights: • B N is the most stable adsorption site. • Work function is reduced after Cs adsorption. • Surface atomic structures are reconstructed. • Surface states near fermi level is contributed to the hybridization of Cs 5s state with Ga 4p and N 2p state. • NEA surface is demonstrated after Cs adsorption on GaN nanowire surface. - Abstract: Based on first-principle study, the adsorption mechanism of Cs on (100) crystal plane of GaN nanowire surface with coverage of 1/12 monolayer is explored. It is discovered that the most stable adsorption site is B N because of its lowest adsorption energy. The work function of GaN nanowire surface is reduced by 1.69 eV and will be further reduced with increasing Cs adsorption, which promotes the development of negative electron affinity (NEA) state of the materials. Furthermore, Cs adatom will make a great influence on the surface atomic structure, oppositely, little influence on the center atomic structure. There appears a dipole moment valued −6.93 Debye on the nanowire surface contributed to the formation the heterojunction on the surface, which is beneficial to the photoelectrons liberation. After Cs adsorption, the valence band and conduction band both move to lower energy side. The surface states mainly result from the hybridization of Cs 5s state with Ga 4p state and N 2p state. This study can help us to further experiment on the Cs adsorption processing on GaN nanowire and improve the photoemission performance of GaN nanowire devices.

Nature of monovacancies on quasi-hexagonal structure of reconstructed Au(100) surface

Energy Technology Data Exchange (ETDEWEB)

Pieczyrak, Barbara; Trembulowicz, Artur; Antczak, Grażyna, E-mail: antczak@ifd.uni.wroc.pl; Jurczyszyn, Leszek

2017-06-15

Highlights: • Surprising nature of surface monovacancies: spontaneous healing. • Determination of vacancy formation energy in the range of 0.34–0.55 eV. • A good agreement between the theoretical (DFT) and experimental (STM) data. - Abstract: Density functional theory and the scanning tunneling microscopy were applied to investigate the nature of the defects on an unrotated reconstructed hexagonal Au(100) surface. We show the correlation between the nature of monovacancies and the geometrical arrangement of the atoms from the first (topmost) layer with respect to the second layer. The vacancies created directly above the atoms from the second layer (on-top position) move spontaneously into the subsurface upon relaxation. For the vacancies created in other places, the subsurface shift is hindered by the energy barrier and the lifted subsurface atom is in the interlayer position. Charge density calculations were compared with results from the scanning tunneling microscopy images which show a good agreement between the theoretical and experimental data.

Surface Brillouin scattering measurement of the elastic constants of single crystal InAs{sub 0.91}Sb{sub 0.09}

Energy Technology Data Exchange (ETDEWEB)

Kotane, L M; Comins, J D; Every, A G [Materials Physics Research Institute, School of Physics, University of the Witwatersrand, Johannesburg, Wits 2050 (South Africa); Botha, J R, E-mail: Lesias.Kotane@wits.ac.z [Department of Physics, Nelson Mandela Metropolitan University, Port Elizabeth (South Africa)

2011-01-01

Surface Brillouin scattering of light has been used to measure the angular dependence of the Rayleigh surface acoustic wave (SAW), pseudo surface acoustic wave (PSAW) and longitudinal lateral wave (LLW) speeds in a (100)-oriented single crystal of the ternary semiconductor alloy InAs{sub 0.91}Sb{sub 0.09}. The wave speed measurements have been used to determine the room temperature values of the elastic constants C{sub 11}, C{sub 12} and C{sub 44} of the alloy. A simple and robust fitting procedure has been implemented for recovering the elastic constants, in which the merit function is constructed from explicit secular functions that determine the surface and lateral wave speeds in the [001] and [011] crystallographic directions. In the fitting, relatively larger weighting factors have been assigned to the SAW and PSAW data because of the greater precision with which the surface modes can be measured as compared with the lateral wave.

Response of TLD-100"T"M microtubes to two RQR3 quality radiation beams

International Nuclear Information System (INIS)

Nunes, M.G.; Villani, D.; Almeida, S.B.; Vivolo, V.; Yoriyaz, H.; Louis, G.M.J.

2016-01-01

The present work compares the response of TLD-100"T"M microcubes to two RQR 3 diagnostic radiology reference quality radiation beams, defined by IEC-61267 norm, aiming to evaluate the detectability of TLD-100"T"M energy dependence reported in literature within the same reference quality radiation range. TLD-100"T"M microcubes reproducibility is assessed through the response of a second set of TLD-100"T"M microcubes, evaluated in a second thermoluminescence reader, to the RQR 3 diagnostic radiology reference quality radiation beam implemented at the Laboratorio de Calibracao de Instrumentos of IPEN, Sao Paulo, SP, Brazil. The dependence of TLD-100"T"M microcubes TL response was not detectable in these conditions and the reproducibility of the measurements is 90,2%. (author)

Individual stellar haloes of massive galaxies measured to 100 kpc at 0.3 < z < 0.5 using Hyper Suprime-Cam

Science.gov (United States)

Huang, Song; Leauthaud, Alexie; Greene, Jenny E.; Bundy, Kevin; Lin, Yen-Ting; Tanaka, Masayuki; Miyazaki, Satoshi; Komiyama, Yutaka

2018-04-01

Massive galaxies display extended light profiles that can reach several hundreds of kiloparsecs. We use data from the Hyper Suprime-Cam (HSC) survey that is simultaneously wide (˜100 deg2) and deep (>28.5 mag arcsec-2 in i band) to study the stellar haloes of a sample of ˜7000 massive galaxies at z ˜ 0.4. The depth of the HSC data enables us to measure surface mass density profiles to 100 kpc for individual galaxies without stacking. As in previous work, we find that more massive galaxies exhibit more extended outer profiles than smaller galaxies. When this extended light is not properly accounted for (because of shallow imaging and/or inadequate profile modelling), the derived stellar mass function can be significantly underestimated at the high-mass end. Across our sample, the ellipticity of outer light profile increases substantially with radius. We show for the first time that these ellipticity gradients steepen dramatically as a function of galaxy mass, but we detect no mass dependence in outer colour gradients. Our results support the two-phase formation scenario for massive galaxies in which outer envelopes are built up at a later time from a series of merging events. We provide surface mass density profiles in a convenient tabulated format to facilitate comparisons with predictions from numerical simulations of galaxy formation.

Coordination and propulsion and non-propulsion phases in 100 meter breaststroke swimming.

Science.gov (United States)

Strzała, Marek; Krężałek, Piotr; Kucia-Czyszczoń, Katarzyna; Ostrowski, Andrzej; Stanula, Arkadiusz; Tyka, Anna K; Sagalara, Andrzej

2014-01-01

The main purpose of this study was to analyze the coordination, propulsion and non-propulsion phases in the 100 meter breaststroke race. Twenty-seven male swimmers (15.7 ± 1.98 years old) with the total body length (TBL) of 247.0 ± 10.60 [cm] performed an all-out 100 m breaststroke bout. The bouts were recorded with an underwater camera installed on a portable trolley. The swimming kinematic parameters, stroke rate (SR) and stroke length (SL), as well as the coordination indices based on propulsive or non-propulsive movement phases of the arms and legs were distinguished. Swimming speed (V100surface breast) was associated with SL (R = 0.41, p study were measured using partial correlations with controlled age. SL interplayed negatively with the limbs propulsive phase Overlap indicator (R = -0.46, p propulsion Glide indicator. The propulsion in-sweep (AP3) phase of arms and their non-propulsion partial air recovery (ARair) phase interplayed with V100surface breast (R = 0.51, p < 0.05 and 0.48 p < 0.05) respectively, displaying the importance of proper execution of this phase (AP3) and in reducing the resistance recovery phases in consecutive ones.

Impedance and magnetoelectric characteristics of (1 - x)BaTiO3- xLa0.7Sr0.3MnO3 ( x = 0.1 and 0.3) nano-composites

Science.gov (United States)

Nayek, C.; Murugavel, P.; Dinesh Kumar, S.; Subramanian, V.

2015-08-01

We have synthesized the phase-pure (1 - x)BaTiO3- xLa0.7Sr0.3MnO3 ( x = 0.1 and 0.3) magnetoelectric composites without interdiffusion among the existing phases. The magnetic measurements revealed an anomaly at the ferroelectric Curie temperature (393 K) of BaTiO3, and the dielectric data revealed an anomaly at the ferromagnetic transition temperature (360 K) of La0.7Sr0.3MnO3 ascertaining the magnetoelectric coupling in the composite. Impedance analysis indicated dipolar polarization contributions to the dielectric spectrum with two non-Debye-type relaxations. Both the grain and grain boundary contributions were present in the system with dominant grain boundary effect in all the composites. The composites show semiconducting behavior with the barrier hopping-type conducting mechanism. To avoid the free charge carrier and the space charge contributions, the magnetoelectric response was measured at high frequency range. The maximum values of magnetoelectric voltage coefficient measured at 100 kHz were 221 and 219 mV/Oe-cm for x = 0.1 and 0.3 samples, respectively.

A theoretical inquiry into the question of W and Ta (100) atomic structures

International Nuclear Information System (INIS)

Treglia, G.; Spanjaard, D.

1983-01-01

In spite of the very large number of experiments (LEED, AES, UPS, MeV He + scattering, work function, FIM) carried out on W (100), no structural model consistent with all the data has been proposed yet: in particular, the question of the reconstruction thermally induced when the sample is cooled below room temperature remains a puzzling problem. Furthermore, from a theoretical point of view, no definitive answer has been given. Actually, either the mechanism invoked for the reconstruction is too weak, or some contributions are omitted or calculated without sufficient care. The surface energy of W (100) is computed taking into account the band term treated in the tight binding approximation, a pairwise repulsive potential of the Born-Mayer type and the electronic correlation contribution obtained from a perturbation treatment of the Hubbard model in the band limit. This energy is then fully minimised with respect to all coordinates of surface atoms, keeping all atoms neutral for any displace,ment. It is found that the unreconstructed surface is the most stable at T = 0 K and discuss this unexpected result. A similar calculation for Ta (100) leads to opposite conclusions. (author)

Surface, segregation profile for Ni50Pd50(100)

DEFF Research Database (Denmark)

Christensen, Asbjørn; Ruban, Andrei; Skriver, Hans Lomholt

1997-01-01

A recent dynamical LEED study [G.N. Derry, C.B. McVey, P.J. Rous, Surf. Sci. 326 (1995) 59] reported an oscillatory surface segregation profile in the Ni50Pd50(100) system with the surface layer enriched by Pd. We have performed ab-initio total-energy calculations for the surface of this alloy...... system using the coherent potential approximation and obtain an oscillatory segregation profile, in agreement with experiments. We discuss the energetic origin of the oscillatory segregation profile in terms of effective cluster interactions. We include relaxation effects by means of the semi...

Structure of Ge(100) surfaces for high-efficiency photovoltaic applications

Energy Technology Data Exchange (ETDEWEB)

Olson, J.M.; McMahon, W.E. [National Renewable Energy Lab., Golden, CO (United States)

1998-09-01

While much is known about the Ge(100) surface in a UHV/MBE environment, little has been published about this surface in an MOCVD environment. The main objective of this study is to determine the structure of the surface of Ge substrates in the typical MOCVD reactor immediately prior to and following the heteronucleation of GaAs and other lattice-matched III-V alloys, and to determine the conditions necessary for the growth of device-quality epilayers. In this paper the authors present the first STM images of the MOCVD-prepared Ge surfaces. Although many of the observed features are very similar to UHV- or MBE-prepared surfaces, there are distinct and important differences. For example, while the As-terminated surfaces for MBE-Ge and MOCVD-Ge are virtually identical, the AsH{sub 3}-treated surfaces in an MOCVD reactor are quite different. The terrace reconstruction is rotated by {pi}/2, and significant step bunching or faceting is also observed. Time-dependent RD kinetic studies also reveal, for the first time, several interesting features: the transition rate from an As-terminated (1 x 2) terrace reconstruction to a stable AsH{sub 3}-annealed surface is a function of the substrate temperature, substrate miscut from (100) and AsH{sub 3} partial pressure, and, for typical prenucleation conditions, is relatively slow. These results explain many of the empirically derived nucleation conditions that have been devised by numerous groups.

Li3PO4 surface coating on Ni-rich LiNi0.6Co0.2Mn0.2O2 by a citric acid assisted sol-gel method: Improved thermal stability and high-voltage performance

Science.gov (United States)

Lee, Suk-Woo; Kim, Myeong-Seong; Jeong, Jun Hui; Kim, Dong-Hyun; Chung, Kyung Yoon; Roh, Kwang Chul; Kim, Kwang-Bum

2017-08-01

A surface coating of Li3PO4 was applied to a Ni-rich LiNi0.6Co0.2Mn0.2O2 (NCM) material to improve its thermal stability and electrochemical properties via a citric acid assisted sol-gel method. The addition of citric acid effectively suppressed the instant formation of Li3PO4 in solution, resulting in successful coating of the NCM surface. The improved thermal stability of NCM after Li3PO4 surface coating was demonstrated by differential scanning calorimetry (DSC) analysis and in situ time-resolved X-ray diffraction (TR-XRD). In particular, the TR-XRD results showed that the improved thermal stability after Li3PO4 surface coating originates from suppression of the phase transition of charged NCM at high temperatures. Furthermore, the charge-discharge tests demonstrated that Li3PO4-coated LiNi0.6Co0.2Mn0.2O2 (LP-NCM) has excellent electrochemical properties. LP-NCM exhibited a specific capacity of 192.7 mAh g-1, a capacity retention of 44.1% at 10 C, and a capacity retention of 79.7% after 100 cycles at a high cut-off voltage of 4.7 V; these values represent remarkably improved electrochemical properties compared with those of bare NCM. These improved thermal and electrochemical properties were mainly attributed to the improvement of the structural stability of the material and the suppression of the interface reaction between the cathode and the electrolyte owing to the Li3PO4 coating.

Effect of silicon on wheat seedlings (Triticum turgidum L.) grown in hydroponics and exposed to 0 to 30 µM Cu.

Science.gov (United States)

Keller, C; Rizwan, M; Davidian, J-C; Pokrovsky, O S; Bovet, N; Chaurand, P; Meunier, J-D

2015-04-01

Aqueous Si limits Cu uptake by a Si-accumulating plant via physicochemical mechanisms occurring at the root level. Sufficient Si supply may alleviate Cu toxicity in Cu-contaminated soils. Little information is available on the role of silicon (Si) in copper (Cu) tolerance while Cu toxicity is widespread in crops grown on Cu-contaminated soils. A hydroponic study was set up to investigate the influence of Si on Cu tolerance in durum wheat (Triticum turgidum L.) grown in 0, 0.7, 7.0 and 30 µM Cu without and with 1.0 mM Si, and to identify the mechanisms involved in mitigation of Cu toxicity. Si supply alleviated Cu toxicity in durum wheat at 30 µM Cu, while Cu significantly increased Si concentration in roots. Root length, photosynthetic pigments concentrations, macroelements, and organic anions (malate, acetate and aconitate) in roots, were also increased. Desorption experiments, XPS analysis of the outer thin root surface (≤100 Å) and µXRF analyses showed that Si increased adsorption of Cu at the root surface as well as Cu accumulation in the epidermis while Cu was localised in the central cylinder when Si was not applied. Copper was not detected in phytoliths. This study provides evidences for Si-mediated alleviation of Cu toxicity in durum wheat. It also shows that Si supplementation to plants exposed to increasing levels of Cu in solution induces non-simultaneous changes in physiological parameters. We propose a three-step mechanism occurring mainly at the root level and limiting Cu uptake and translocation to shoots: (i) increased Cu adsorption onto the outer thin layer root surface and immobilisation in the vicinity of root epidermis, (ii) increased Cu complexation by both inorganic and organic anions such as aconitate and, (iii) limitation of translocation through an enhanced thickening of a Si-loaded endodermis.

Structural stability and the electronic and magnetic properties of ferrimagnetic Mn{sub 4}N(0 0 1) surfaces

Energy Technology Data Exchange (ETDEWEB)

Guerrero-Sánchez, J., E-mail: guerrero@cnyn.unam.mx; Takeuchi, Noboru

2017-06-15

Highlights: • Surface formation energy calculations demonstrate a N-dependent stability. • The magnetic alignment of these surfaces remains bulk-like, in a ferrimagnetic fashion. • A ferrimagnetic behavior in both structures is confirmed by density of states calculations. - Abstract: We have carried out spin-polarized first principles calculations to describe the surface stability and the electronic and magnetic properties of Mn{sub 4}N(0 0 1) surfaces. Results show two different surface terminations with different N content. The surface formation energies indicate that for manganese rich conditions the most stable structure is a MnN terminated surface. Whereas, from intermediate to nitrogen rich conditions, a MnN terminated surface with excess of nitrogen atoms is the most favorable. The stability of these surfaces can be traced to the formation of Mn–N bonds at the surface. The stable surfaces are Ferrimagnetic along the direction perpendicular to the surface, retaining a bulk-like behavior. However, there is a decrease in the Mn magnetic moments due to the presence of the surface. Density of states shows an asymmetric behavior, inherent of a Ferrimagnetic state. Finally, the surfaces are metallic with the main contributions around the Fermi level coming from the Mn-d orbitals. The knowledge about the atomic arrangements of the Mn{sub 4}N surfaces may serve to explain and understand the formation of more complex and technologically applicable ferromagnetic/ferrimagnetic and antiferromagnetic/ferrimagnetic heterostructures.

In-situ oxidation study of Pd(100) by surface x-ray diffraction

Energy Technology Data Exchange (ETDEWEB)

Kilic, Volkan; Franz, Dirk; Stierle, Andreas [AG Grenzflaechen, Universitaet Siegen (Germany); Martin, Natalia; Lundgren, Edvin [Department of Synchrotron Radiation Research, Lund University (Sweden); Mantilla, Miguel [MPI fuer Metallforschung, Stuttgart (Germany)

2011-07-01

The oxidation of the Pd(100) surface at oxygen pressures in the 10{sup -6} mbar to 10{sup 3} mbar range and temperatures up to 1000 K has been studied in-situ by surface x-ray diffraction (SXRD). The SXRD experiments were performed at the MPI beamline at the Angstrom Quelle Karlsruhe (ANKA). We present the surface and crystal truncation rod (CTR) data from the ({radical}(5) x {radical}(5)) surface layer. We show that the transformation from the surface oxide to PdO bulk oxide can be observed in-situ under specific pressure and temperature conditions. We compare our results with previously proposed structure models based on low energy electron diffraction (LEED) I(V) curves and density functional theory calculations. Finally, we elucidate the question of commensurability of the surface oxide layer with respect to the Pd(100) substrate.

STM contrast inversion of the Fe(1 1 0) surface

Energy Technology Data Exchange (ETDEWEB)

Mándi, Gábor [Budapest University of Technology and Economics, Department of Theoretical Physics, Budafoki út 8, H-1111 Budapest (Hungary); Palotás, Krisztián, E-mail: palotas@phy.bme.hu [Budapest University of Technology and Economics, Department of Theoretical Physics, Budafoki út 8, H-1111 Budapest (Hungary); Condensed Matter Research Group of the Hungarian Academy of Sciences, Budafoki út 8, H-1111 Budapest (Hungary)

2014-06-01

We extend the orbital-dependent electron tunneling model implemented within the three-dimensional (3D) Wentzel–Kramers–Brillouin (WKB) atom-superposition approach to simulate spin-polarized scanning tunneling microscopy (SP-STM) above magnetic surfaces. The tunneling model is based on the electronic structure data of the magnetic tip and surface obtained from first principles. Applying our method, we analyze the orbital contributions to the tunneling current, and study the nature of atomic contrast reversals occurring on constant-current SP-STM images above the Fe(1 1 0) surface. We find an interplay of orbital-dependent tunneling and spin-polarization effects responsible for the contrast inversion, and we discuss its dependence on the bias voltage, on the tip-sample distance, and on the tip orbital composition.

Graphitization of boron predeposited 6H-SiC(0 0 0 1) surface

International Nuclear Information System (INIS)

Okonogi, Yuta; Aoki, Yuki; Hirayama, Hiroyuki

2012-01-01

Highlights: ► We have tried to dope the B atoms into epitaxial graphene during the graphene growing process. ► The B induced changes in the surface were characterized by low-energy electron microscopy, auger electron spectroscopy, atomic force microscopy, and scanning tunneling icroscopy. ► No obvious B atoms doping evidence into the graphene was observed. - Abstract: We examined the substitutional doping of B atoms into epitaxial graphene on the SiC(0 0 0 1) surface. B atoms were deposited on the SiC(0 0 0 1) surface in advance of the growth of graphene. The B-induced changes in the surface morphology and chemical composition were characterized at the four thermal treatment stages in the growth of graphene (at 1120, 1370, 1520, and 1770 K) by low-energy electron diffraction (LEED), auger electron spectroscopy (AES), atomic force microscopy (AFM), and scanning tunneling microscopy (STM). The B atoms were found to hinder the formation of a spatially uniform graphene layer. However, local deformation of the graphene lattice, which should be observed if B atoms are successfully doped substitutionally, was not observed in STM.

Dual functions of zirconium modification on improving the electrochemical performance of Ni-rich LiNi0.8Co0.1Mn0.1O2

Energy Technology Data Exchange (ETDEWEB)

Li, Xing; Zhang, Kangjia; Wang, Mingshan; Liu, Yang; Qu, Meizhen; Zhao, Wengao; Zheng, Jianming

2018-02-28

Trace amount of Zirconium (Zr) has been adopted to modify the crystal structure and surface of the Ni-rich LiNi0.8Co0.1Mn0.1O2 (NCM811) cathode material. During cycling at 1.0C, the Zr-modified NCM811 shows an improved capacity retention of 92% after 100 cycles, higher than 75% for pristine NMC811. In addition, the Zr-modified NCM811 is capable of delivering a discharge capacity of 107 mAh g-1 at 10.0C rate, much higher than 28 mAh g-1 delivered by pristine material. These improved electrochemical performances are ascribed to the dual functions of Zr modification. On one hand, part of the Zr enters the crystal lattice, which is beneficial for reducing the Li/Ni cation mixing and enhancing the crystal stability of the cathode. On the other hand, the rest of the Zr forms a 1~2 nm thick coating layer on the surface of the NCM811 cathode, which effectively prevents the direct contact between NCM and the electrolyte, thus suppressing the detrimental interfacial reactions. Therefore, the Zr-modified LiNi0.8Co0.1Mn0.1O2 exhibited significantly enhanced cycling stability and charging/discharging rate capability in comparison with the untreated counterpart.

Electrochemical performance of Ni0.8Cu0.2/Ce0.8Gd0.2O1.9 cermet anodes with functionally graded structures for intermediate-temperature solid oxide fuel cell fueled with syngas

Science.gov (United States)

Miyake, Michihiro; Iwami, Makoto; Takeuchi, Mizue; Nishimoto, Shunsuke; Kameshima, Yoshikazu

2018-06-01

The electrochemical performance of layered Ni0.8Cu0.2/Ce0.8Gd0.2O1.9 (GDC) cermet anodes is investigated for intermediate-temperature solid oxide fuel cells (IT-SOFCs) at 600 °C using humidified (3% H2O) model syngas with a molar ratio of H2/CO = 3/2 as the fuel. From the results obtained, the electrochemical performance of the functionally graded multi-layered anodes is found to be superior to the mono-layered anodes. The test cell with a bi-layered anode consisting of 100 mass% Ni0.8Cu0.2/0 mass% GDC (10M/0E) and 70 mass% Ni0.8Cu0.2/30 mass% GDC (7M/3E) exhibits high power density. The test cell with a tri-layered anode consisting of 10M/0E, 7M/3E, and 50 mass% Ni0.8Cu0.2/50 mass% GDC (5M/5E) exhibits an even higher power density, suggesting that 10M/0E and 5M/5E layers contribute to the current collecting part and active part, respectively.

Atomic layer-by-layer oxidation of Ge (100) and (111) surfaces by plasma post oxidation of Al2O3/Ge structures

International Nuclear Information System (INIS)

Zhang, Rui; Huang, Po-Chin; Lin, Ju-Chin; Takenaka, Mitsuru; Takagi, Shinichi

2013-01-01

The ultrathin GeO x /Ge interfaces formed on Ge (100) and (111) surfaces by applying plasma post oxidation to thin Al 2 O 3 /Ge structures are characterized in detail using X-ray photoelectron spectroscopy (XPS) and transmission electron microscopy. It is found that the XPS signals assigned to Ge 1+ and the 2+ states in the GeO x layers by post plasma oxidation have oscillating behaviors on Ge (100) surfaces in a period of ∼0.3 nm with an increase in the GeO x thickness. Additionally, the oscillations of the signals assigned to Ge 1+ and 2+ states show opposite phase to each other. The similar oscillation behaviors are also confirmed on Ge (111) surfaces for Ge 1+ and 3+ states in a period of ∼0.5 nm. These phenomena can be strongly regarded as an evidence of the atomic layer-by-layer oxidation of GeO x /Ge interfaces on Ge (100) and (111) surfaces.

Defect chemistry and oxygen transport of (La0.6Sr0.4 − xMx)0.99Co0.2Fe0.8O3 − δ, M = Ca (x = 0.05, 0.1), Ba (x = 0.1, 0.2), Sr: Part II: Oxygen transport

DEFF Research Database (Denmark)

Dalslet, Bjarke Thomas; Søgaard, Martin; Hendriksen, Peter Vang

2009-01-01

This paper is the second part of a two part series, where the effects of varying the A-site dopant on the defect chemistry and transport properties of the materials (La0.6Sr0.4 − xMx)0.99Co0.2Fe0.8O3 − δ, M = Sr, Ca (x = 0.05, 0.1), Ba (x = 0.1, 0.2) (LSMFC) have been investigated. In part I......, the findings on the defect chemistry were reported, while the oxygen transport properties are reported here in part II. In the investigated material series, the amount of divalent dopant has been kept constant, while Sr ions have been substituted with Ca ions (smaller ionic radius) or Ba ions (larger ionic...... electrolyte probe were used to extract the permeability and surface resistance, rs. The highest permeability was found for (La0.6Sr0.3Ca0.1)0.99Co0.2Fe0.8O3 − δ. The apparent activation energy of the permeability was 78 kJ/mol. The inverse surface resistance, rs− 1, also had an activated behavior...

Surface morphology and electronic structure of Ni/Ag(100)

International Nuclear Information System (INIS)

Hite, D. A.; Kizilkaya, O.; Sprunger, P. T.; Howard, M. M.; Ventrice, C. A. Jr.; Geisler, H.; Zehner, D. M.

2000-01-01

The growth morphology and electronic structure of Ni on Ag(100) has been studied with scanning tunneling microscopy (STM) and synchrotron based angle resolved photoemission spectroscopy. At deposition temperatures at or below 300 K, STM reveals Ni cluster growth on the surface along with some subsurface growth. Upon annealing to 420 K, virtually all Ni segregates into the subsurface region forming embedded nanoclusters. The electronic structure of Ni d bands in the unannealed surface shows dispersion only perpendicular to the surface whereas the annealed surface has Ni d bands that exhibit a three-dimensional-like structure. This is a result of the increased Ni d-Ag sp hybridization bonding and increased coordination of the embedded Ni nanoclusters. (c) 2000 American Vacuum Society

Hemolytic performance of a MagLev disposable rotary blood pump (MedTech Dispo): effects of MagLev gap clearance and surface roughness.

Science.gov (United States)

Hoshi, Hideo; Asama, Junichi; Hijikata, Wataru; Hara, Chikara; Shinshi, Tadahiko; Yasuda, Toshitaka; Ohuchi, Katsuhiro; Shimokohbe, Akira; Takatani, Setsuo

2006-12-01

Mechanical shaft seal bearing incorporated in the centrifugal blood pumps contributes to hemolysis and thrombus formation. In addition, the problem of durability and corrosion of mechanical shaft seal bearing has been recently reported from the safety point of view. To amend the shortcomings of the blood-immersed mechanical bearings, a magnetic levitated centrifugal rotary blood pump (MedTech Dispo Model 1; Tokyo Medical and Dental University, Tokyo, Japan) has been developed for extracorporeal disposable application. In this study, the hemolytic performance of the MedTech Dispo Model 1 centrifugal blood pump system was evaluated, with special focus on the narrow blood path clearance at the magnetic bearing between rotor and stator, and on the pump housing surface roughness. A pump flow of 5 L/min against the head pressure of 100 mm Hg for 4 h was included in the hemolytic test conditions. Anticoagulated fresh porcine blood was used as a working fluid. The clearance of blood path at the magnetic bearing was in the range of 100-250 micro m. Pump housing surface roughness was controlled to be around Ra = 0.1-1.5 micro m. The lowest hemolytic results were obtained at the clearance of 250 micro m and with the polished surface (Ra = 0.1 micro m) yielding the normalized index of hemolysis (NIH) of less than 0.001 g/100 L, which was 1/5 of the Biopump BP-80 (Medtronic Inc., Minneapolis, MN, USA, and 1/4 of the BPX-80. In spite of rough surface and narrow blood path, NIH levels were less than clinically acceptable level of 0.005 g/100 L. The noncontact, levitated impeller system is useful to improve pump performance in blood environment.

Coating effect of LiFePO4 and Al2O3 on Li1.2Mn0.54Ni0.13Co0.13O2 cathode surface for lithium ion batteries

Science.gov (United States)

Seteni, Bonani; Rapulenyane, Nomasonto; Ngila, Jane Catherine; Mpelane, Siyasanga; Luo, Hongze

2017-06-01

Lithium-manganese-rich cathode material Li1.2Mn0.54Ni0.13Co0.13O2 is prepared by combustion method, and then coated with nano-sized LiFePO4 and nano-sized Al2O3 particles via a wet chemical process. The as-prepared Li1.2Mn0.54Ni0.13Co0.13O2, LiFePO4-coated Li1.2Mn0.54Ni0.13Co0.13O2 and Al2O3-coated Li1.2Mn0.54Ni0.13Co0.13O2 are characterized by X-ray diffraction, scanning electron microscopy and transmission electron microscopy. The scanning electron microscopy shows the agglomeration of the materials and their nanoparticle size ∼100 nm. The transmission electron microscopy confirms that LiFePO4 forms a rough mat-like surface and Al2O3 remain as islandic particles on the surface of the Li1.2Mn0.54Ni0.13Co0.13O2 material. The Li1.2Mn0.54Ni0.13Co0.13O2 coated with LiFePO4 and Li1.2Mn0.54Ni0.13Co0.13O2 coated with Al2O3 exhibits improved electrochemical performance. The initial discharge capacity is enhanced to 267 mAhg-1 after the LiFePO4 coating and 285 mAhg-1 after the Al2O3 coating compared to the as-prepared Li1.2Mn0.54Ni0.13Co0.13O2 material that has an initial discharge capacity of 243 mAhg-1. Galvanostatic charge-discharge tests at C/10 display longer activation of Li2MnO3 phase and higher capacity retention of 88% after 20 cycles for Li1.2Mn0.54Ni0.13Co0.13O2-LiFePO4 compared to Li1.2Mn0.54Ni0.13Co0.13O2-Al2O3 of 80% after 20 cycles and LMNC of 80% after 20 cycles. Meanwhile Li1.2Mn0.54Ni0.13Co0.13O2-LiFePO4 also shows higher rate capability compared to Li1.2Mn0.54Ni0.13Co0.13O2-Al2O3.

Preparation of InAs(0 0 1) surface for spin injection via a chemical route

International Nuclear Information System (INIS)

Singh, L J; Oliver, R A; Barber, Z H; Eustace, D A; McComb, D W; Clowes, S K; Gilbertson, A M; Magnus, F; Branford, W R; Cohen, L F; Buckle, L; Buckle, P D; Ashley, T

2007-01-01

A wet chemical surface treatment for InAs epilayers is investigated to remove the native semiconductor oxide prior to growth of a MgO tunnel barrier and Co ferromagnetic electrode by dc magnetron sputtering. Use of a HCl etch followed by (NH 4 ) 2 S as the pre-growth surface treatment resulted in pinhole-like features in the tunnel barrier, as observed by conducting atomic force microscopy, but this detrimental effect is avoided if the etch procedure is repeated twice. High resolution transmission electron microscopy revealed that the etched samples had uniform tunnel barriers and reducing the growth temperature of the barrier from 200 to 100 0 C significantly improved the abruptness of the semiconductor/barrier interface. Electrical characterization of barrier properties illustrated that all the etched samples showed parabolic differential conductance curves indicative of tunnelling behaviour at 300 K

Density functional theory study of hydrogenation mechanism in Fe-doped Mg(0 0 0 1) surface

International Nuclear Information System (INIS)

Wu Guangxin; Zhang Jieyu; Wu Yongquan; Li Qian; Chou Kuochih; Bao Xinhua

2009-01-01

Using density functional theory (DFT) in combination with nudged elastic band (NEB) method, the dissociative chemisorptions and diffusion processes of hydrogen on both pure and Fe-doped Mg(0 0 0 1) surfaces are studied. Firstly, the dissociation pathway of H 2 and the relative barrier were investigated. The calculated dissociation barrier (1.08 eV) of hydrogen molecule on a pure Mg(0 0 0 1) surface is in good agreement with comparable experimental and theoretical studies. For the Fe-doped Mg(0 0 0 1) surface, the activated barrier decreases to 0.101 eV due to the strong interaction between the s orbital of H and the d orbital of Fe. Then, the diffusion processes of atomic hydrogen on pure and Fe-doped Mg(0 0 0 1) are presented. The obtained diffusion barrier to the first subsurface is 0.45 eV and 0.98 eV, respectively. Finally, Chou method was used to investigate the hydrogen sorption kinetic mechanism of pure MgH 2 and Mg mixed with 5 at.% Fe atoms composites. The obtained activation energies are 0.87 ± 0.02 and 0.31 ± 0.01 eV for H 2 dissociation on the pure surface and H atom diffusion in Fe-doped Mg surfaces, respectively. It suggests that the rate-controlling step is dissociation of H 2 on the pure Mg surface while it is diffusion of H atom in the Fe-doped Mg surface. And both of fitting data are matching well with our calculation results.

The contribution of bank and surface sediments to fluvial sediment ...

African Journals Online (AJOL)

The contribution of bank and surface sediments to fluvial sediment transport of the Pra River. ... the relative contribution of surface and bank sediments to the fluvial sediment transport. ... EMAIL FREE FULL TEXT EMAIL FREE FULL TEXT

Epitaxial growth of 100-μm thick M-type hexaferrite crystals on wide bandgap semiconductor GaN/Al{sub 2}O{sub 3} substrates

Energy Technology Data Exchange (ETDEWEB)

Hu, Bolin; Su, Zhijuan; Bennett, Steve; Chen, Yajie, E-mail: y.chen@neu.edu; Harris, Vincent G. [Center for Microwave Magnetic Materials and Integrated Circuits and Department of Electrical and Computer Engineering, Northeastern University, Boston, Massachusetts 02115 (United States)

2014-05-07

Thick barium hexaferrite BaFe{sub 12}O{sub 19} (BaM) films having thicknesses of ∼100 μm were epitaxially grown on GaN/Al{sub 2}O{sub 3} substrates from a molten-salt solution by vaporizing the solvent. X-ray diffraction measurement verified the growth of BaM (001) textured growth of thick films. Saturation magnetization, 4πM{sub s}, was measured for as-grown films to be 4.6 ± 0.2 kG and ferromagnetic resonance measurements revealed a microwave linewidth of ∼100 Oe at X-band. Scanning electron microscopy indicated clear hexagonal crystals distributed on the semiconductor substrate. These results demonstrate feasibility of growing M-type hexaferrite crystal films on wide bandgap semiconductor substrates by using a simple powder melting method. It also presents a potential pathway for the integration of ferrite microwave passive devices with active semiconductor circuit elements creating system-on-a-wafer architectures.

New physics contributions to anti B{sub s} → π{sup 0}(ρ{sup 0})η{sup (')} decays

Energy Technology Data Exchange (ETDEWEB)

Faisel, Gaber [Sueleyman Demirel University, Department of Physics, Faculty of Arts and Sciences, Isparta (Turkey); National Taiwan University, Department of Physics, Taipei (China)

2017-06-15

The decay modes anti B{sub s} → π{sup 0}(ρ{sup 0})η{sup (')} are dominated by electroweak penguins that are small in the standard model. In this work we investigate the contributions to these penguins from a model with an additional U(1){sup '} gauge symmetry and show there effects on the branching ratios of anti B{sub s} → π{sup 0}(ρ{sup 0})η{sup (')}. In a scenario of the model, where Z{sup '} couplings to the left-handed quarks vanish, we show that the maximum enhancement occurs in the branching ratio of anti B{sub s}{sup 0} → π{sup 0}η{sup '} where it can reach 6 times the SM prediction. On the other hand, in a scenario of the model where Z{sup '} couplings to both left-handed and right-handed quarks do not vanish, we find that Z{sup '} contributions can enhance the branching ratio of B{sup 0}{sub s} → ρ{sup 0}η up to one order of magnitude comparing to the SM prediction for several sets of the parameter space where both ΔM{sub B{sub s}} and S{sub ψφ} constraints are satisfied. This kind of enhancement occurs for a rather fine-tuned point where the ΔM{sub B{sub s}} constraint on vertical stroke S{sub SM}(B{sub s}) + S{sub Z}{sup {sub '}} (B{sub s}) vertical stroke is fulfilled by overcompensating the SM via S{sub Z}{sup {sub '}}(B{sub s}) ≅ -2S{sub SM}(B{sub s}). (orig.)

Electrochemical studies of adsorption and inhibition effect of new synthesized triazinane-amide derivatives on cold rolled steel in 0.5 M HCl

International Nuclear Information System (INIS)

Abo-Elenien, O.M.; Zohdy, K.M.; Abdelkreem, M.

2012-01-01

The adsorption and inhibition effects of new synthesized triazinane-amide derivatives (TAZA) on cold rolled steel (CRS) in 0.5 M HCl at concentration 100-500 ppm and 25.65 .C were studied by mean of weight loss and potentiodynamic polarization techniques. The results showed that the TAZA was a good inhibitor in 0.5 M HCl. The inhibition efficiency (IE) increased with the increase of inhibitor T AZA c oncentration. The adsorption of TAZA on the CRS surfaces followed the Langmuir adsorption isotherm. The thermodynamic and kinetic parameters show evidence of the stability control of the film formation on the CRS surfaces. The polarization curves revealed that the TAZA can act as cathodic and anodic protectors in the same time. Such protection phenomena were evidenced by the means of the weight loss and polarization methods. Significantly, the high efficient process of the film formation in terms of the corrosion rate, efficiency control was found with 300 ppm dose of TAZA, as evidenced from the electrochemical impedance and scanning electron microscope techniques

Effect of grain boundary layer strain on the magnetic and transport properties of (100-x) La0.7Ca0.3MnO3/(x) BaTiO3 composites showing enhanced magnetoresistance

International Nuclear Information System (INIS)

Bose, Esa; Taran, S.; Karmakar, S.; Chaudhuri, B.K.; Pal, S.; Sun, C.P.; Yang, H.D.

2007-01-01

A ferromagnetic/ferroelectric composite system, viz. (100-x)La 0.7 Ca 0.3 MnO 3 [LCMO]/(x) BaTiO 3 [BTO] (with x=0.0%, 1.0%, 5.0%, 7.5%, 10.0% and 15.0%, in wt%) has been synthesized and the temperature-dependent DC magnetization M(T), resistivity ρ(T), magnetoresistance (MR), and thermoelectric power S(T) have been studied. Both metal-insulator transition temperature (T MI ) and the corresponding Curie temperature (T C ) decrease whereas peak resistivity at T MI increases as x is enhanced from 0.0% to 10.0%. For x>10.0%, this trend of variation is reversed. A maximum three-fold increase of magnetoresistance (MR) is observed (for sample with x=10.0%) due to the addition of ferroelectric (non-magnetic) perovskite BTO (compared to the mother compound LCMO). Interestingly, thermoelectric power S(T) shows a pronounced depression (dip) near the magnetic transition region for the composite samples. The above results have been analyzed considering strain induced by the LCMO/BTO grain boundary layer (BL)

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.

Surface diffusion of carbon atom and carbon dimer on Si(0 0 1) surface

International Nuclear Information System (INIS)

Zhu, J.; Pan, Z.Y.; Wang, Y.X.; Wei, Q.; Zang, L.K.; Zhou, L.; Liu, T.J.; Jiang, X.M.

2007-01-01

Carbon (C) atom and carbon dimer (C2) are known to be the main projectiles in the deposition of diamond-like carbon (DLC) films. The adsorption and diffusion of the C adatom and addimer (C2) on the fully relaxed Si(0 0 1)-(2 x 1) surface was studied by a combination of the molecular dynamics (MD) and Monte Carlo (MC) simulation. The adsorption sites of the C and C2 on the surface and the potential barriers between these sites were first determined using the semi-empirical many-body Brenner and Tersoff potential. We then estimated their hopping rates and traced their pathways. It is found that the diffusion of both C and C2 is strongly anisotropic in nature. In addition, the C adatom can diffuse a long distance on the surface while the adsorbed C2 is more likely to be confined in a local region. Thus we can expect that smoother films will be formed on the Si(0 0 1) surface with single C atoms as projectile at moderate temperature, while with C2 the films will grow in two-dimensional islands. In addition, relatively higher kinetic energy of the projectile, say, a few tens of eV, is needed to grow DLC films of higher quality. This is consistent with experimental findings

Hydrogen evolution characteristics of Ni-Mn microencapsulated MlNi{sub 3.03}Si{sub 0.85}Co{sub 0.60}Mn{sub 0.31}Al{sub 0.08} alloys in 6 M KOH

Energy Technology Data Exchange (ETDEWEB)

Ananth, MV. [Ni-MH Section, Electrochemical Energy Sources Division, Central Electrochemical Research Institute, Karaikudi 630 006 (India); Ananthi, P. [Department of Chemistry, Dhanalakshmi Srinivasan College of Arts and Science for Women, Perambalur 621 212 (India)

2008-10-15

Nickel-manganese alloys were coated from sulphate baths by electrodeposition with 'Packed Bed' technique on the surface of proprietary lanthanum rich non-stoichiometric MlNi{sub 3.03}Si{sub 0.85}Co{sub 0.60}Mn{sub 0.31}Al{sub 0.08} (Ml = lanthanum rich misch metal) hydrogen storage alloy particles. The structure and nature of the microencapsulated alloys were characterized using X-ray diffraction (XRD) and electron paramagnetic resonance (EPR). The hydrogen evolution reaction (HER) was investigated in 6 M KOH at 30 C by galvnostatic cathodic polarisation technique. The effects of Ni/Mn ratio in the bath and deposition current density were studied. Among the investigated depositions, Ni{sub 150}Mn{sub 100} (30) and Ni{sub 150}Mn{sub 10} (60) (concentration of Ni and Mn salts in electrodeposition bath given in grams per liter; electrodeposition current density (CD) given within brackets in milliamphere per square centimeter) coated samples exhibited the highest activity towards the HER. It can be concluded that disordered paramagnetic coatings with Ni concentrations above 80 at.% exhibit higher catalytic activity towards HER. The Tafel mechanism is the easiest pathway for HER on most of the studied coatings. However, some of the Ni-rich coatings prefer the Volmer-Tafel path and one sample [Ni{sub 150}Mn{sub 150} (80)] prefers the Heyrovsky-Volmer path. (author)

tavgM_2d_flx_Nx: MERRA 2D IAU Diagnostic, Surface Fluxes, Monthly Mean 0.667 x 0.5 degree V5.2.0 (MATMNXFLX) at GES DISC

Data.gov (United States)

National Aeronautics and Space Administration — The MATMNXFLX or tavgM_2d_flx_Nx data product is the MERRA Data Assimilation System 2-Dimensional surface turbulence flux diagnostic that is time averaged...

Surface quantum oscillations and weak antilocalization effect in topological insulator (Bi0.3Sb0.7)2Te3

Science.gov (United States)

Urkude, Rajashri; Rawat, Rajeev; Palikundwar, Umesh

2018-04-01

In 3D topological insulators, achieving a genuine bulk-insulating state is an important topic of research. The material system (Bi,Sb)2(Te,Se)3 has been proposed as a topological insulator with high resistivity and low carrier concentration. Topological insulators are predicted to present interesting surface transport phenomena but their experimental studies have been hindered by metallic bulk conduction that overwhelms the surface transport. Here we present a study of the bulk-insulating properties of (Bi0.3Sb0.7)2Te3. We show that a high resistivity exceeding 1 Ωm as a result of variable-range hopping behavior of state and Shubnikov-de Haas oscillations as coming from the topological surface state. We have been able to clarify both the bulk and surface transport channels, establishing a comprehensive understanding of the transport properties in this material. Our results demonstrate that (Bi0.3Sb0.7)2Te3 is a good material for studying the surface quantum transport in a topological insulator.

Longitudinal Changes in Young Children’s 0-100 to 0-1000 Number-Line Error Signatures

Directory of Open Access Journals (Sweden)

Robert A. Reeve

2015-05-01

Full Text Available We use a latent difference score (LDS model to examine changes in young children’s number-line (NL error signatures (errors marking numbers on a NL over 18 months. A LDS model (1 overcomes some of the inference limitations of analytic models used in previous research, and in particular (2 provides a more reliable test of hypotheses about the meaning and significance of changes in NL error signatures over time and task. The NL error signatures of 217 6-year-olds’ (on test occasion one were assessed three times over 18 months, along with their math ability on two occasions. On the first occasion (T1 children completed a 0–100 NL task; on the second (T2 a 0–100 NL and a 0–1000 NL task; on the third (T3 occasion a 0–1000 NL task. On the third and fourth occasions (T3 and T4, children completed mental calculation tasks. Although NL error signatures changed over time, these were predictable from other NL task error signatures, and predicted calculation accuracy at T3, as well as changes in calculation between T3 and T4. Multiple indirect effects (change parameters showed that associations between initial NL error signatures (0–100 NL and later mental calculation ability were mediated by error signatures on the 0–1000 NL task. The pattern of findings from the LDS model highlight the value of identifying direct and indirect effects in characterizing changing relationships in cognitive representations over task and time. Substantively, they support the claim that children’s NL error signatures generalize over task and time and thus can be used to predict math ability.

tavgM_2d_ocn_Nx: MERRA 2D IAU Ocean Surface Diagnostic, Monthly Mean 0.667 x 0.5 degree V5.2.0 (MATMNXOCN) at GES DISC

Data.gov (United States)

National Aeronautics and Space Administration — The MATMNXOCN or tavgM_2d_ocn_Nx data product is the MERRA Data Assimilation System 2-Dimensional ocean surface single-level diagnostics that is monthly mean...

The role of (sub)-surface oxygen on the surface electronic structure of hydrogen terminated (100) CVD diamond

NARCIS (Netherlands)

Deferme, W.; Tanasa, G.; Amir, J.; Haenen, K.; Nesladek, M.; Flipse, C.F.J.

2006-01-01

In this work, scanning tunnelling microscopy (STM) and scanning tunnelling spectroscopy (STS) were applied to investigate the surface morphol. and the surface electronic structure of plasma-treated (100)-oriented CVD diamond films. These films were hydrogenated using a conventional MWPE-CVD

Experimental investigation of heavy water vapor viscosity at 100-5000C and (0.08-1,3).105n/m2

International Nuclear Information System (INIS)

Timrot, D.L.; Serednitskaya, M.A.; Bespalov, M.S.

1974-01-01

The heavy water steam viscosity is measured at a facility used earlier to measure steam viscosity of a conventional water. The measurements are performed by a relative method. The maximum relative error of the experiment is as low as 0.35%. The viscosity isotherm slope in the P-diagram is obtained with an accuracy of 0.1% which is connected with the exclusion of the systematic error in the calibration of the facility, and the error of reference to a given temperature. The viscosity is investigated on five isotherms from 100 to 500 0 C. It appeared possible to describe the viscosity of heavy and conventional water in the temperature range studied by a unified relationship: Mosup(D 2 O)=αMosup(H 2 ))+β

Defective pyrite (100) surface: An ab initio study

International Nuclear Information System (INIS)

Stirling, Andras; Bernasconi, Marco; Parrinello, Michele

2007-01-01

The structural and electronic properties of sulfur monomeric defects at the FeS 2 (100) surface have been studied by periodic density-functional calculations. We have shown that for a monomeric sulfur bound to an originally fivefold coordinated surface Fe site, the defect core features a triplet electronic ground state with unpaired spins localized on the exposed Fe-S unit. At this site, the iron and sulfur ions have oxidation states +4 and -2, respectively. This defect can be seen as produced via heterolytic bond breaking of the S-S sulfur dimer followed by a Fe-S redox reaction. The calculated sulfur 2p core-level shifts of the monomeric defects are in good agreement with experimental photoemission spectra, which allow a compelling assignment of the different spectroscopic features. The effect of water on the stability of the defective surface has also been studied, and it has been shown that the triplet state is stable against the wetting of the surface. The most important implications of the presence of the monomeric sulfur defect on the reactivity are also discussed

The Influence of the Tool Surface Texture on Friction and the Surface Layers Properties of Formed Component

Directory of Open Access Journals (Sweden)

Jana Šugárová

2018-03-01

Full Text Available The morphological texturing of forming tool surfaces has high potential to reduce friction and tool wear and also has impact on the surface layers properties of formed material. In order to understand the effect of different types of tool textures, produced by nanosecond fibre laser, on the tribological conditions at the interface tool-formed material and on the integrity of formed part surface layers, the series of experimental investigations have been carried out. The coefficient of friction for different texture parameters (individual feature shape, including the depth profile of the cavities and orientation of the features relative to the material flow was evaluated via a Ring Test and the surface layers integrity of formed material (surface roughness and subsurface micro hardness was also experimentally analysed. The results showed a positive effect of surface texturing on the friction coefficients and the strain hardening of test samples material. Application of surface texture consisting of dimple-like depressions arranged in radial layout contributed to the most significant friction reduction of about 40%. On the other hand, this surface texture contributed to the increase of surface roughness parameters, Ra parameter increased from 0.49 μm to 2.19 μm and the Rz parameter increased from 0.99 μm to 16.79 μm.

Energy transfer and photochemistry on a metal surface: Mo(CO)6 on Rh(100)

International Nuclear Information System (INIS)

Germer, T.A.; Ho, W.

1989-01-01

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

Induced surface stress at crystal surfaces

International Nuclear Information System (INIS)

Dahmen, K.

2002-05-01

Changes of the surfaces stress Δτ (s) can be studied by observing the bending of thin crystalline plates. With this cantilever method one can gain the induced change of surface stress Δτ (s) from the bending of plates with the help of elasticity theory. For elastic isotropic substrates the relevant relations are known. Here the relations are generalized to elastic anisotropic crystals with a C 2v - Symmetry. The equilibrium shapes of crystalline plates oriented along the (100)-, (110)-, or (111)-direction which are clamped along one edge are calculated with a numeric method under the load of a homogeneous but pure isotropic or anisotropic surface stress. The results can be displayed with the dimensionality, so that the effect of clamping can be described in a systematic way. With these tabulated values one can evaluate cantilever experiments exactly. These results are generalized to cantilever methods for determining magnetoelastic constants. It is shown which magnetoelastic constants are measured in domains of thin films with ordered structures. The eigenshape and the eigenfrequency of plates constraint through a clamping at one side are calculated. These results give a deeper understanding of the elastic anisotropy. The induced surface stress of oxygen on the (110)-surface of molybdenum is measured along the principle directions Δτ [001] and Δτ [ anti 110] . The anisotropy of the surface stress is found for the p(2 x 2)-reconstruction. Lithium induces a tensile surface stress on the Molybdenum (110)-surface up to a coverage of Θ = 0, 3 monolayer. For a higher coverage the induced stress drops and reaches a level of less than -1, 2 N/m at one monolayer. It is shown, that cobalt induces a linear increasing stress with respect to the coverage on the (100)-surface of copper with a value of 2, 4GPa. The copper (100)-surface is bombarded with accelerated ions in the range between 800-2200 eV. The resulting induced compressive stress (Δτ (s) < 0) of the order

In situ AFM study on barite (0 0 1) surface dissolution in NaCl solutions at 30 °C

International Nuclear Information System (INIS)

Kuwahara, Yoshihiro; Makio, Masato

2014-01-01

Highlights: • We examined barite surface dissolution behavior in NaCl solutions by AFM. • Step retreat and step splitting behavior changed with the NaCl concentration. • Etch pit formation and development differed in each NaCl solution. • Step retreat and etch pit growth rates increased with the NaCl concentration. • We assessed the effects of temperature and NaCl concentration on these rates. - Abstract: This paper reports in situ observations on barite (0 0 1) surface dissolution behavior in 0.1–0.001 M NaCl solutions at 30 °C using atomic force microscopy (AFM). The step retreating on barite (0 0 1) surfaces changed with increasing NaCl solution concentrations. In solutions with a higher NaCl concentration (⩾0.01 M), many steps showed curved or irregular fronts during the later experimental stage, while almost all steps in solutions with a lower NaCl concentration exhibited straight or angular fronts, even during the late stage. The splitting phenomenon of the initial 〈h k 0〉 one-layer steps (7.2 Å) into two half-layer steps (3.6 Å) occurred in all NaCl solutions, while that of the initial [0 1 0] one-layer steps observed only in the 0.1 M NaCl solution. The step retreat rates increased with an increasing NaCl solution concentration. We observed triangular etch pit and deep etch pit formation in all NaCl solutions, which tended to form late in solutions with lower NaCl concentrations. The deep etch pit morphology changed with increasing NaCl solution concentrations. A hexagonal form elongated in the [0 1 0] direction was bounded by the {1 0 0}, {3 1 0}, and (0 0 1) faces in a 0.001 M NaCl solution, and a rhombic form was bounded by the {5 1 0} and (0 0 1) faces in 0.01 M and 0.1 M NaCl solutions. An intermediate form was observed in a 0.005 M NaCl solution, which was defined by {1 0 0}, a curved face tangent to the [0 1 0] direction, {3 1 0}, and (0 0 1) faces: the intermediate form appeared between the hexagonal and rhombic forms in

Reconstructions of the sulfur-passivated InSb (100) surface

Energy Technology Data Exchange (ETDEWEB)

Ciochoń, Piotr, E-mail: piotr.ciochon@doctoral.uj.edu.pl; Olszowska, Natalia; Wróbel, Sonia; Kołodziej, Jacek

2017-04-01

Highlights: • Two new surface reconstructions of a S-passivated InSb (001) surface are reported. • The reconstructions are obtained through partial loss of surface sulfur. • They are characterized by the thickness of ∼4 Å and good crystallographic ordering. • The reconstructions provide adequate electronic passivation of the surface. - Abstract: We have studied the properties of the InSb (100) surface passivated with sulfur dimers emitted by the solid-state electrochemical cell in ultra-high vacuum. Annealing the passivated surface in the temperature equal to T = 326 °C led to the formation of the c(4 × 8) surface reconstruction, while increasing the temperature to T = 348 °C resulted in the transition to c(4 × 12) reconstruction. To the best of our knowledge these reconstructions have not been reported to date and are characterized by the exceptionally good crystallographic order. XPS studies revealed that there are at least 4 different chemical species of sulfur present on the surface and the estimated thickness of the sulfur layers is equal to around 4 Å. The surface reconstructions are characterized by the lowered intensity of the surface electronic states and resonances near the Fermi level, compared to the clean InSb surface, making them potentially very useful for the fabrication of InSb-based electronic and optoelectronic devices.

Dynamics of H2 on Ti/Al(100) surfaces

NARCIS (Netherlands)

Chen, Jian-Cheng

2011-01-01

What is the catalytic role played by titanium in the hydrogen storage material NaAlH4? This thesis aims at unraveling the dynamics of an elementary reaction: H2 dissociation on Ti/Al(100) surfaces. Although this reaction is not the rate limiting step in the hydrogen storage of NaAlH4, it is an

Gold deposited on a Ge(0 0 1) surface: DFT calculations

Science.gov (United States)

Tsay, Shiow-Fon

2016-11-01

The atomic geometry, stability and electronic properties of self-organized Au induced nanowires on a Ge(0 0 1) surface are investigated based on the density-functional theory in the generalized gradient approximation and the stoichiometry of Au. According to the formation energy and the simulated STM image, the Ge atoms substituted by the Au atoms have been confirmed as occurring at a Au coverage lower than 0.25 Ml. The STM image with single and double dimer vacancies looks like the Au atoms have penetrated the subsurface. The energetically favorable dimer-row arrayed structures at 0.50 Ml and 0.75 Ml Au coverages have a 4  ×  1, 4  ×  2 or c(8  ×  2) transition symmetry, which comprise a flat Au-Au homodimer row and an alternating various buckling phase Ge-Ge or Au-Ge dimer row. The c(8  ×  2) zigzag-shaped protruding chains of shallow-groove STM images are highly consistent with the observations, but a long-range order dimer-row arrayed structure formation requires sufficient mobile energy to complete mass transport of the substituted Ge atoms in order to avoid the re-adsorption of these atoms; otherwise a deep-groove structure reconstruction is sequentially formed. A quasi-1D electron-like energy trough aligns in the direction perpendicular to the nanowire of the dimer-row arrayed structure in the c(8  ×  2) phase on a 0.75 Ml Au/Ge(0 0 1) surface, which is contributed by the Au-Ge dimer rows and the subsurface Ge atoms below them. The bottom energy of the energy trough is consistent with angle-resolved photo-emission spectroscopy studies (Schäfer et al 2008 Phys. Rev. Lett. 101 236802, Meyer et al 2011 Phys. Rev. B 83 121411(R)).

Radiographic detection of 100 A thickness variations in 1-μm-thick coatings applied to submillimeter-diameter laser fusion targets

International Nuclear Information System (INIS)

Stupin, D.M.

1986-01-01

We have developed x-ray radiography to measure thickness variations of coatings on laser fusion targets. Our technique is based on measuring the variation in x-ray transmission through the targets. The simplest targets are hollow glass microshells or microballoons 100 to 500 μm in diameter, that have several layers of metals or plastics, 1 to 100 μm thick. Our goal is to examine these opaque coatings for thickness variations as small as 1% or 0.1%, depending on the type of defect. Using contact radiography we have obtained the desired sensitivity for concentric and elliptical defects of 1%. This percentage corresponds to thickness variations as small as 100 A in a 1-μm-thick coating. For warts and dimples, the desired sensitivity is a function of the area of the defect, and we are developing a system to detect 0.1% thickness variations that cover an area 10 μm by 10 μm. We must use computer analysis of contact radiographs to measure 1% thickness variations in either concentricity or ellipticity. Because this analysis takes so long on our minicomputer, we preselect the radiographs by looking for defects at the 10% level on a video image analysis system

La0⋅ 9Sr0⋅ 1Ga0⋅ 8M0⋅ 2O3–δ (M= Mn, Co, Ni, Cu or Zn ...

Indian Academy of Sciences (India)

Perovskite oxides of the general formula, La0.9Sr0.1Ga0.8M0.2O3– for M = Mn, Co, Ni, Cu and Zn, have been prepared and investigated. All the oxides exhibit high electrical conductivities ( ∼ 10–2 S/cm at 800°C) comparable to that of the best perovskite oxide ion conductor, La0.9Sr0.1Ga0.8Mg0.2O2.85 (LSGM) ( ...

0.7–2.5 μ m Spectra of Hilda Asteroids

International Nuclear Information System (INIS)

Wong, Ian; Brown, Michael E.; Emery, Joshua P.

2017-01-01

The Hilda asteroids are primitive bodies in resonance with Jupiter whose origin and physical properties are not well understood. Current models posit that these asteroids formed in the outer solar system and were scattered along with the Jupiter Trojans into their present-day positions during a chaotic episode of dynamical restructuring. In order to explore the surface composition of these enigmatic objects in comparison with an analogous study of Trojans, we present new near-infrared spectra (0.7–2.5 μ m) of 25 Hilda asteroids. No discernible absorption features are apparent in the data. Synthesizing the bimodalities in optical color and infrared reflectivity reported in previous studies, we classify 26 of the 28 Hildas in our spectral sample into the so-called less-red and red sub-populations and find that the two sub-populations have distinct average spectral shapes. Combining our results with visible spectra, we find that Trojans and Hildas possess similar overall spectral shapes, suggesting that the two minor body populations share a common progenitor population. A more detailed examination reveals that while the red Trojans and Hildas have nearly identical spectra, less-red Hildas are systematically bluer in the visible and redder in the near-infrared than less-red Trojans, indicating a putative broad, shallow absorption feature between 0.5 and 1.0  μ m. We argue that the less-red and red objects found in both Hildas and Trojans represent two distinct surface chemistries and attribute the small discrepancy between less-red Hildas and Trojans to the difference in surface temperatures between the two regions.

0.7–2.5 μ m Spectra of Hilda Asteroids

Energy Technology Data Exchange (ETDEWEB)

Wong, Ian; Brown, Michael E. [Division of Geological and Planetary Sciences, California Institute of Technology, Pasadena, CA 91125 (United States); Emery, Joshua P., E-mail: iwong@caltech.edu [Earth and Planetary Science Department and Planetary Geosciences Institute, University of Tennessee, Knoxville, TN 37996 (United States)

2017-09-01

The Hilda asteroids are primitive bodies in resonance with Jupiter whose origin and physical properties are not well understood. Current models posit that these asteroids formed in the outer solar system and were scattered along with the Jupiter Trojans into their present-day positions during a chaotic episode of dynamical restructuring. In order to explore the surface composition of these enigmatic objects in comparison with an analogous study of Trojans, we present new near-infrared spectra (0.7–2.5 μ m) of 25 Hilda asteroids. No discernible absorption features are apparent in the data. Synthesizing the bimodalities in optical color and infrared reflectivity reported in previous studies, we classify 26 of the 28 Hildas in our spectral sample into the so-called less-red and red sub-populations and find that the two sub-populations have distinct average spectral shapes. Combining our results with visible spectra, we find that Trojans and Hildas possess similar overall spectral shapes, suggesting that the two minor body populations share a common progenitor population. A more detailed examination reveals that while the red Trojans and Hildas have nearly identical spectra, less-red Hildas are systematically bluer in the visible and redder in the near-infrared than less-red Trojans, indicating a putative broad, shallow absorption feature between 0.5 and 1.0  μ m. We argue that the less-red and red objects found in both Hildas and Trojans represent two distinct surface chemistries and attribute the small discrepancy between less-red Hildas and Trojans to the difference in surface temperatures between the two regions.

Internal hydration H{sub 2}/O{sub 2} 100 cm{sup 2} polymer electrolyte membrane fuel cell

Energy Technology Data Exchange (ETDEWEB)

Miachon, S [CEA, Dept. de Recherche Fondamentale sur la Matiere Condensee, SESAM/PCM, 38 - Grenoble (France); Aldebert, P [CEA, Dept. de Recherche Fondamentale sur la Matiere Condensee, SESAM/PCM, 38 - Grenoble (France)

1995-07-01

This work deals with a new arrangement of a polymer electrolyte membrane fuel cell (PEMFC) support which allows the operation of a 100 cm{sup 2} surface area fuel cell with cold and unhumidified gases. Hydrogen is not recycled. Both gases (pure hydrogen and oxygen) are heated and humidified internally, each one crossing a porous carbon block. This allows a simplified water management. Classical low platinum loading E-Tek{sup R} electrodes, hot-pressed on Nafion{sup R} 117 and 112 membranes, are used. Performances are then a little higher than those of comparable PEMFCs in the literature: 0.7 V at 0.7 A/cm{sup 2} for Nafion{sup R} 117, and 0.724 V at 1 A/cm{sup 2} for Nafion{sup R} 112, under 4/6 bar (absolute) of H{sub 2}/O{sub 2} at 100 C. The values of PEMFC resistance obtained in fitting the data were found to be R=0.254 (with Nafion{sup R} 117) and 0.108 {Omega} cm{sup 2} (with Nafion{sup R} 112). The membrane contribution to the cell resistance was then estimated to be R{sub m}=0.204 and 0.058 {Omega} cm{sup 2}, respectively (with Nafion{sup R} conductivity estimated at 0.103 S/cm at 100 C in working fuel cell conditions). This membrane is therefore the major contributor to the total cell resistance. (orig.)

Linear solvation energy relationships (LSER): 'rules of thumb' for Vi/100, π*, Βm, and αm estimation and use in aquatic toxicology

Science.gov (United States)

Hickey, James P.

1996-01-01

This chapter provides a listing of the increasing variety of organic moieties and heteroatom group for which Linear Solvation Energy Relationship (LSER) values are available, and the LSER variable estimation rules. The listings include values for typical nitrogen-, sulfur- and phosphorus-containing moieties, and general organosilicon and organotin groups. The contributions by an ion pair situation to the LSER values are also offered in Table 1, allowing estimation of parameters for salts and zwitterions. The guidelines permit quick estimation of values for the four primary LSER variables Vi/100, π*, Βm, and αm by summing the contribtuions from its components. The use of guidelines and Table 1 significantly simplifies computation of values for the LSER variables for most possible organic comppounds in the environment, including the larger compounds of environmental and biological interest.

THE S4G PERSPECTIVE ON CIRCUMSTELLAR DUST EXTINCTION OF ASYMPTOTIC GIANT BRANCH STARS IN M100

International Nuclear Information System (INIS)

Meidt, Sharon E.; Schinnerer, Eva; Muñoz-Mateos, Juan-Carlos; Kim, Taehyun; Holwerda, Benne; Ho, Luis C.; Madore, Barry F.; Sheth, Kartik; Menéndez-Delmestre, Karín; Seibert, Mark; Knapen, Johan H.; Bosma, Albert; Athanassoula, E.; Hinz, Joannah L.; Regan, Michael; De Paz, Armando Gil; Mizusawa, Trisha; Gadotti, Dimitri A.; Laurikainen, Eija; Salo, Heikki

2012-01-01

We examine the effect of circumstellar dust extinction on the near-IR (NIR) contribution of asymptotic giant branch (AGB) stars in intermediate-age clusters throughout the disk of M100. For our sample of 17 AGB-dominated clusters we extract optical-to-mid-IR spectral energy distributions (SEDs) and find that NIR brightness is coupled to the mid-IR dust emission in such a way that a significant reduction of AGB light, of up to 1 mag in the K band, follows from extinction by the dust shell formed during this stage. Since the dust optical depth varies with AGB chemistry (C-rich or O-rich), our results suggest that the contribution of AGB stars to the flux from their host clusters will be closely linked to the metallicity and the progenitor mass of the AGB star, to which dust chemistry and mass-loss rate are sensitive. Our sample of clusters—each the analogue of a ∼1 Gyr old post-starburst galaxy—has implications within the context of mass and age estimation via SED modeling at high-z: we find that the average ∼0.5 mag extinction estimated here may be sufficient to reduce the AGB contribution in the (rest-frame) K band from ∼70%, as predicted in the latest generation of synthesis models, to ∼35%. Our technique for selecting AGB-dominated clusters in nearby galaxies promises to be effective for discriminating the uncertainties associated with AGB stars in intermediate-age populations that plague age and mass estimation in high-z galaxies.

Ionization of xenon Rydberg atoms at Si(1 0 0) surfaces

Energy Technology Data Exchange (ETDEWEB)

Dunham, H.R. [Department of Physics and Astronomy, Rice University MS-61, 6100 Main Street, Houston, TX 77005-1892 (United States); Wethekam, S. [Institut fuer Physik der Humboldt-Universitaet zu Berlin, Newtonstra. 15, D-12489, Berlin (Germany); Lancaster, J.C. [Department of Physics and Astronomy, Rice University MS-61, 6100 Main Street, Houston, TX 77005-1892 (United States); Dunning, F.B. [Department of Physics and Astronomy, Rice University MS-61, 6100 Main Street, Houston, TX 77005-1892 (United States)]. E-mail: fbd@rice.edu

2007-03-15

The ionization of xenon Rydberg atoms excited to the lowest states in the n = 17 and n = 20 Stark manifolds at Si(1 0 0) surfaces is investigated. It is shown that, under appropriate conditions, a sizable fraction of the incident atoms can be detected as ions. Although the onset in the ion signal is perturbed by stray fields present at the surface, the data are consistent with ionization rates similar to those measured earlier at metal surfaces.

Struktura makrocyklu treningowego w biegu na 100 m przez płotki = The structure of the training macrocycle in the 100 m hurdles

Directory of Open Access Journals (Sweden)

Maria Kamrowska-Nowak

2015-12-01

UKW w Bydgoszczy, IKF   Streszczenie Celem badań była analiza struktury czasowej oraz charakterystyka obciążeń treningowych płotkarki w rocznym cyklu, zrealizowanych przez zawodniczkę specjalizującą się w biegu na 100 m przez płotki. Materiał badawczy stanowiła dokumentacja szkolenia i obciążeń  treningowych zawodniczki S.G., mistrzyni Polski juniorek z 1999 r. oraz młodzieżowej mistrzyni Polski z 2000 r. Zebrany materiał dotyczący obciążeń treningowych skatalogowano według klasycznego podziału ćwiczeń ze względu na cechy motoryczne. Przygotowania treningowe do cyklu 1999/2000 trwały 336 dni. Zrealizowano 367 jednostek treningowych. W przygotowaniu siłowym największe obciążenie miało charakter ukierunkowany o przewadze półprzysiadów oraz podskoków i wyskoków z półprzysiadu. Siła o charakterze wszechstronnym miała mniejszy wymiar. Największe obciążenie pracą siłową miało miejsce od marca do czerwca. W okresie przygotowania ogólnego (listopad, grudzień, styczeń dominowała wytrzymałość tempowa krótka (odcinki 150 -300m, a następnie wytrzymałość szybkościowa, która ma wpływ na utrzymanie rytmu płotkowego od 7 do 10 płotka. Szybkość techniczna realizowana była od listopada do września, a najwięcej zrealizowano w miesiącach marcu i kwietniu.   Słowa kluczowe: lekkoatletyka, kobieta, bieg na 100 m przez płotki. Summary             The objective of the research was to analyze  time structure and characteristics of training loads of the hurdler specializing in 100m hurdles realized in the annual training cycle. Training records and training loads  of S.G. , the junior champion of Poland  in 1999 and the youth champion of Poland in 2000, constituted research material. Material concerning training loads was catalogued according to classical division of exercises on account of motor features.             Preparations for the training cycle 1999/2000 lasted 336 days, and 367

Modification of μm thick surface layers using keV ion energies

International Nuclear Information System (INIS)

Rehn, L.E.; Lam, N.Q.; Wiedersich, H.

1983-11-01

Root-mean-square diffusion distances for both vacancy and interstitial defects in metals can be very large at elevated temperatures, e.g. several μm's in one second at 500 0 C. Consequently, defects that escape the implanted region at elevated temperature can produce conpositional and microstructural changes to depths which are much larger than the ion range. Because of the high defect mobilities, and of the fact that diffusion processes must compete with the rate of surface recession, the effects of defect production (ballistic mixing), radiation-enhanced diffusion and radiation-induced segregation become spatially separated during ion bombardment at elevated temperature. Results of such experimental studies in a Cu-Ni alloy are presented, discussed and compared with predictions of a phenomenological model. Contributions to the subsurface compositional changes from radiation-enhanced diffusion and radiation-induced segregation are clearly identified

Dynamical properties of tertiarybutylarsine on GaAs(0 0 1) surface

CERN Document Server

Ozeki, M; Tanaka, Y

2002-01-01

The dynamical properties of tertiarybutylarsine (TBA) was studied on GaAs(0 0 1) surface using a supersonic molecular beam. The temperature and incident energy dependence of the reflected beam revealed a reaction channel of TBA on GaAs surface with a large decrease in the activation energy from 2.7 to 1.8 eV as the incident energy increases from 0.04 to 2.5 eV.

Design of an upgradeable 45-100 mA RFQ accelerator for FAIR

Science.gov (United States)

Zhang, Chuan; Schempp, Alwin

2009-10-01

A 325 MHz, 35 mA, 3 MeV Radio-Frequency Quadrupole (RFQ) accelerator will be operated as the first accelerating structure of the proton linac injector for the newly planned international science center Facility for Antiproton and Ion Research (FAIR) at GSI, Germany. In previous design studies, two high beam intensities, 70 and 100 mA, were used. Most recently, the design intensity has been changed to 45 mA, which is closer to the operational value. Taking advantage of the so-called New Four-Section Procedure, a new design, which is upgradable from 45 to 100 mA, has been developed for the FAIR proton RFQ. Besides the upgradability analyses, robustness studies of the new design to spatial displacements of the input beam and field errors are presented as well.

Design of an upgradeable 45-100 mA RFQ accelerator for FAIR

International Nuclear Information System (INIS)

Zhang Chuan; Schempp, Alwin

2009-01-01

A 325 MHz, 35 mA, 3 MeV Radio-Frequency Quadrupole (RFQ) accelerator will be operated as the first accelerating structure of the proton linac injector for the newly planned international science center Facility for Antiproton and Ion Research (FAIR) at GSI, Germany. In previous design studies, two high beam intensities, 70 and 100 mA, were used. Most recently, the design intensity has been changed to 45 mA, which is closer to the operational value. Taking advantage of the so-called New Four-Section Procedure, a new design, which is upgradable from 45 to 100 mA, has been developed for the FAIR proton RFQ. Besides the upgradability analyses, robustness studies of the new design to spatial displacements of the input beam and field errors are presented as well.

A Method for Retrieving Daily Land Surface Albedo from Space at 30-m Resolution

Directory of Open Access Journals (Sweden)

Bo Gao

2015-08-01

Full Text Available Land surface albedo data with high spatio-temporal resolution are increasingly important for scientific studies addressing spatially and/or temporally small-scale phenomena, such as urban heat islands and urban land surface energy balance. Our previous study derived albedo data with 2–4-day and 30-m temporal and spatial resolution that have better spatio-temporal resolution than existing albedo data, but do not completely satisfy the requirements for monitoring high-frequency land surface changes at the small scale. Downscaling technology provides a chance to further improve the albedo data spatio-temporal resolution and accuracy. This paper introduces a method that combines downscaling technology for land surface reflectance with an empirical method of deriving land surface albedo. Firstly, downscaling daily MODIS land surface reflectance data (MOD09GA from 500 m to 30 m on the basis of HJ-1A/B BRDF data with 2–4-day and 30-m temporal and spatial resolution is performed: this is the key step in the improved method. Subsequently, the daily 30-m land surface albedo data are derived by an empirical method combining prior knowledge of the MODIS BRDF product and the downscaled daily 30-m reflectance. Validation of albedo data obtained using the proposed method shows that the new method has both improved spatio-temporal resolution and good accuracy (a total absolute accuracy of 0.022 and a total root mean squared error at six sites of 0.028.

Reactions and reaction intermediates on iron surfaces--1. Methanol, ethanol, and isopropanol on Fe(100). 2. Hydrocarbons and carboxylic acids

Energy Technology Data Exchange (ETDEWEB)

Benziger, J.B.; Madix, R.J.

1980-09-01

Temperature-programed desorption and ESCA showed that the alcohols formed alkoxy intermediates on Fe(100) surfaces at room temperature, but that the methoxy and ethoxy species were much more stable than the isopropoxy intermediate. The alkoxy species reacted above 400/sup 0/K by decomposing into carbon monoxide and hydrogen, hydrogenation to alcohol, and scission of C-C and C-O bonds with hydrogenation of the hydrocarbon fragments. Ethylene, acetylene, and cis-2-butene formed stable, unidentified surface species. Methyl chloride formed stable surface methyl groups which decomposed into hydrogen and surface carbide at 475/sup 0/K. Formic and acetic acids yielded stable carboxylate intermediates which decomposed above 490/sup 0/K to hydrogen, carbon monoxide, and carbon dioxide. The studies suggested that the alkoxy surface species may be important intermediates in the Fischer-Tropsch reaction on iron.

Cesium adsorption on In0.53Ga0.47As (1 0 0) β2 (2 × 4) surface: A first-principles research

International Nuclear Information System (INIS)

Guo, Jing; Chang, Benkang; Jin, Muchun; Wang, Honggang; Wang, MeiShan

2015-01-01

Highlights: • Eight different cesium adsorption In 0.53 Ga 0.47 As (1 0 0) β 2 (2 × 4) surface models have been built. • Surface characteristics of the cesium adsorption In 0.53 Ga 0.47 As (1 0 0) β 2 (2 × 4) surfaces are investigated based on the first principle. • New energy bands appear and band gap is narrowed after adsorption. • The cesium adsorption enhances the surface ionization. • T 2 and T 3 are the reasonable adsorption sites relatively. - Abstract: In 0.53 Ga 0.47 As is a perfect III–V compound semiconductor for the photoemissive layer of the infrared-extension negative electron affinity photocathode. It is the key step for the formation of negative electron affinity that the cesium atoms and oxygen atoms activate the photocathode surface alternately. Geometry optimizations based on the first principles have been carried out for the In 0.53 Ga 0.47 As (1 0 0) β 2 (2 × 4) surfaces with a cesium atom adsorbed on 8 different possible sites named as D, D′, T 2 , T 2 ′, T 3 , T 3 ′, T 4 and T 4 ′. The surfaces characteristics have been investigated before and after adsorption from the point of negative electron affinity formation. Meanwhile, the surface atom structure, the adsorption energy, work function, surface energy bands, charge transfer and the dipole generation of the 8 different adsorption surfaces have been compared to each other. The work function and the surface energy bands have been analyzed in detail, which are closely related with the photoelectrons escaping from the surface. The surface work functions are all decreased in varying degrees and energy band bends all appear at the 8 different adsorption sites due to the surface charge transfer and the dipole formation. In conclusion, T 2 and T 3 are the favorable adsorption sites relatively. The surfaces with a cesium atom adsorbed on these two sites are most stable and have much lower work functions, which generates reasonable energy band bend and is benefit for the

Comparison of mRNA, Protein, and Urinary Nucleic Acid Levels of S100A8 and S100A9 between Prostate Cancer and BPH.

Science.gov (United States)

Yun, Seok Joong; Yan, Chunri; Jeong, Pildu; Kang, Ho Won; Kim, Ye-Hwan; Kim, Eun-Ah; Lee, Ok-Jun; Kim, Won Tae; Moon, Sung-Kwon; Kim, Isaac Yi; Choi, Yung-Hyun; Kim, Wun-Jae

2015-07-01

Infections and inflammation in the prostate play a critical role in carcinogenesis, and S100A8 and S100A9 are key mediators in acute and chronic inflammation. Therefore, we investigated the differences of S100A8/A9 expression between prostate cancer (CaP) and benign prostatic hyperplasia (BPH) tissues, and we evaluated the possibilities of urinary nucleic acids of S100A8/A9 as diagnostic and prognostic markers. Tissues from 132 CaP patients who underwent prostatectomy or transurethral resection and 90 BPH patients who underwent transurethral prostatectomy were assessed.sd In addition, S100A8 and S100A9 nucleic acid levels were measured in the urine of 283 CaP patients and 363 BPH controls. S100A8 and S100A9 mRNA levels were lower in CaP than BPH tissues (P BPH tissues stained more strongly for both S100A8 and S100A9 than CaP tissues (P BPH (P = 0.001 and BPH. Both were more highly expressed in patients with aggressive disease and shorter biochemical recurrence-free time. S100A8/A9 urinary cell-free nucleic acid levels correlated positively with expression levels obtained from tissue staining. Therefore, S100A8/A9 measurement in tissues and urine may have diagnostic and prognostic value in CaP.

Effect of atmospheric CO{sub 2} on surface segregation and phase formation in La{sub 0.6}Sr{sub 0.4}Co{sub 0.2}Fe{sub 0.8}O{sub 3−δ} thin films

Energy Technology Data Exchange (ETDEWEB)

Yu, Yang [Division of Materials Science and Engineering, Boston University, Brookline, MA 02446 (United States); Luo, Heng [Department of Mechanical Engineering, Boston University, Boston, MA 02215 (United States); Cetin, Deniz [Division of Materials Science and Engineering, Boston University, Brookline, MA 02446 (United States); Lin, Xi [Division of Materials Science and Engineering, Boston University, Brookline, MA 02446 (United States); Department of Mechanical Engineering, Boston University, Boston, MA 02215 (United States); Ludwig, Karl [Division of Materials Science and Engineering, Boston University, Brookline, MA 02446 (United States); Department of Physics, Boston University, Boston, MA 02215 (United States); Pal, Uday; Gopalan, Srikanth [Division of Materials Science and Engineering, Boston University, Brookline, MA 02446 (United States); Department of Mechanical Engineering, Boston University, Boston, MA 02215 (United States); Basu, Soumendra, E-mail: basu@bu.edu [Division of Materials Science and Engineering, Boston University, Brookline, MA 02446 (United States); Department of Mechanical Engineering, Boston University, Boston, MA 02215 (United States)

2014-12-30

Highlights: • LSCF exhibits Sr surface segregation on high-temperature annealing. • The presence of atmospheric CO{sub 2} enhances the kinetics of Sr surface segregation. • At high-CO{sub 2} partial pressures, there is a significant coverage of the surface by Sr-rich phases. • The increase in kinetics is attributed to increased thermodynamic driving force for SrCO{sub 3} formation. - Abstract: The effects of atmospheric CO{sub 2} on surface segregation and phase formation in La{sub 0.6}Sr{sub 0.4}Co{sub 0.2}Fe{sub 0.8}O{sub 3−δ} (LSCF-6428) were investigated. (0 0 1)-oriented LSCF-6428 thin films were deposited on lattice matched (1 1 0)-oriented NdGaO{sub 3} (NGO) substrates by pulsed laser deposition (PLD). Using the synchrotron technique of total reflection X-ray fluorescence (TXRF), it was found that the kinetics of Sr surface segregation was enhanced when annealing at 800 °C in a high-CO{sub 2} partial pressure, as compared to a similar anneal in a CO{sub 2}-free atmosphere, with the oxygen partial pressure being constant in both cases. Hard X-ray photoelectron spectroscopy (HAXPES) measurements showed that the contribution of the surface carbonate to surface oxide phases increased significantly for the sample annealed in the high-CO{sub 2} atmosphere. Atomic force microscopy (AFM) studies showed enhanced surface phase formation during the high-CO{sub 2} partial pressure anneal. Density functional theory (DFT) calculations provide a thermodynamic basis for the enhanced kinetics of surface segregation in the presence of atmospheric CO{sub 2}.

Electronic structure and electron dynamics at Si(100)

Energy Technology Data Exchange (ETDEWEB)

Weinelt, M. [Universitaet Erlangen-Nuernberg, Lehrstuhl fuer Festkoerperphysik, Erlangen (Germany); Max-Born-Institut, Berlin (Germany); Kutschera, M.; Schmidt, R.; Orth, C.; Fauster, T. [Universitaet Erlangen-Nuernberg, Lehrstuhl fuer Festkoerperphysik, Erlangen (Germany); Rohlfing, M. [International University Bremen, School of Engineering and Science, P.O. Box 750 561, Bremen (Germany)

2005-02-01

The electronic structure and electron dynamics at a Si(100) surface is studied by two-photon photoemission (2PPE). At 90 K the occupied D{sub up} dangling-bond state is located 150{+-}50 meV below the valence-band maximum (VBM) at the center of the surface Brillouin zone anti {gamma} and exhibits an effective hole mass of (0.5{+-}0.15)m{sub e}. The unoccupied D{sub down} band has a local minimum at anti {gamma} at 650{+-}50 meV above the VBM and shows strong dispersion along the dimer rows of the c(4 x 2) reconstructed surface. At 300 K the D{sub down} position shifts comparable to the Si conduction-band minimum by 40 meV to lower energies but the dispersion of the dangling-bond states is independent of temperature. The surface band bending for p-doped silicon is less than 30 meV, while acceptor-type defects cause significant and preparation-dependent band bending on n-doped samples. 2PPE spectra of Si(100) are dominated by interband transitions between the occupied and unoccupied surface states and emission out of transiently and permanently charged surface defects. Including electron-hole interaction in many-body calculations of the quasi-particle band structure leads us to assign a dangling-bond split-off state to a quasi-one-dimensional surface exciton with a binding energy of 130 meV. Electrons resonantly excited to the unoccupied D{sub down} dangling-bond band with an excess energy of about 350 meV need 1.5{+-}0.2 ps to scatter via phonon emission to the band bottom at anti {gamma} and relax within 5 ps with an excited hole in the occupied surface band to form an exciton living for nanoseconds. (orig.)

A density functional theory study of partial oxidation of propylene on Cu2O(0 0 1) and CuO(0 0 1) surfaces

International Nuclear Information System (INIS)

Düzenli, Derya; Atmaca, Deniz Onay; Gezer, Miray Gülbiter; Onal, Isik

2015-01-01

Graphical abstract: - Highlights: • Propylene epoxidation mechanism on Cu 2 O(0 0 1) and CuO(0 0 1) surfaces is investigated using DFT method. • Acrolein is found to be a thermodynamically more favorable product for both surfaces especially over CuO surface. • The more basic property of the surface oxygen increases the probability of acrolein formation over CuO(0 0 1) surface. - Abstract: This work theoretically investigates propylene epoxidation reaction on Cu 2 O(0 0 1) and CuO(0 0 1) surfaces using periodical DFT method to determine the active copper species within the reaction mechanism. The transition states and energy profiles are calculated for the formation of surface intermediates such as oxametallopropylene (OMP) over Cu 2 O(0 0 1) and oxygen bridging (OB) over CuO(0 0 1) and allylic H-stripping reaction (AHS) over both surfaces as well as for formation of products. Propylene oxide (PO) and acetone are obtained through OMP and OB surface intermediates and acrolein generation is observed through allylic H-stripping reaction (AHS). The calculations revealed that the corresponding surface intermediates for epoxidation reaction need to overcome an activation barrier of 13 kcal/mol over CuO surface whereas they occur without an energy barrier over Cu 2 O surface indicating the higher activity of Cu + species. Acrolein is also found to be a thermodynamically more favorable product for both surfaces especially over CuO surface due to the presence of more surface oxygen atoms on which the basicity has been evaluated by the adsorption of sulfur dioxide. This indicates that the lattice oxygen inherent in both surface types does not participate in PO production.

Influence of multi-wavelength laser irradiation of enamel and dentin surfaces at 0.355, 2.94, and 9.4 μm on surface morphology, permeability, and acid resistance.

Science.gov (United States)

Chang, Nai-Yuan N; Jew, Jamison M; Simon, Jacob C; Chen, Kenneth H; Lee, Robert C; Fried, William A; Cho, Jinny; Darling, Cynthia L; Fried, Daniel

2017-12-01

Ultraviolet (UV) and infrared (IR) lasers can be used to specifically target protein, water, and mineral, respectively, in dental hard tissues to produce varying changes in surface morphology, permeability, reflectivity, and acid resistance. The purpose of this study was to explore the influence of laser irradiation and topical fluoride application on the surface morphology, permeability, reflectivity, and acid resistance of enamel and dentin to shed light on the mechanism of interaction and develop more effective treatments. Twelve bovine enamel surfaces and twelve bovine dentin surfaces were irradiated with various combinations of lasers operating at 0.355 (Freq.-tripled Nd:YAG (UV) laser), 2.94 (Er:YAG laser), and 9.4 μm (CO 2 laser), and surfaces were exposed to an acidulated phosphate fluoride gel and an acid challenge. Changes in the surface morphology, acid resistance, and permeability were measured using digital microscopy, polarized light microscopy, near-IR reflectance, fluorescence, polarization sensitive-optical coherence tomography (PS-OCT), and surface dehydration rate measurements. Different laser treatments dramatically influenced the surface morphology and permeability of both enamel and dentin. CO 2 laser irradiation melted tooth surfaces. Er:YAG and UV lasers, while not melting tooth surfaces, showed markedly different surface roughness. Er:YAG irradiation led to significantly rougher enamel and dentin surfaces and led to higher permeability. There were significant differences in acid resistance among the various treatment groups. Surface dehydration measurements showed significant changes in permeability after laser treatments, application of fluoride and after exposure to demineralization. CO 2 laser irradiation was most effective in inhibiting demineralization on enamel while topical fluoride was most effective for dentin surfaces. Lasers Surg. Med. 49:913-927, 2017. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Comparative Study Using 100–300 Versus 300–500 μm Microspheres for Symptomatic Patients Due to Enlarged-BPH Prostates

International Nuclear Information System (INIS)

Gonçalves, Octavio Meneghelli; Carnevale, Francisco Cesar; Moreira, Airton Mota; Antunes, Alberto Azoubel; Rodrigues, Vanessa Cristina; Srougi, Miguel

2016-01-01

PurposeThe purpose of the study was to compare safety and efficacy outcomes following prostate artery embolization (PAE) for the treatment of lower urinary tract symptoms (LUTS) due to benign prostatic hyperplasia (BPH) with 100–300 versus 300–500 μm tris-acryl gelatin microspheres.Materials and MethodsPatients were prospectively treated between August 2011 and June 2013 to receive PAE with 100–300 μm (group A) or 300–500 μm (group B) tris-acryl gelatin microspheres. Patients were followed for a minimum of 12 months and were assessed for changes in International Prostate Symptom Score (IPSS), quality of life (QoL) index, prostate volume determined by magnetic resonance imaging, serum prostate specific antigen (PSA), and maximum urine flow rate (Q_m_a_x), as well as any treatment-related adverse events.ResultsFifteen patients were included in each group, and PAE was technically successful in all cases. Both groups experienced significant improvement in mean IPSS, QoL, prostate volume, PSA, and Q_m_a_x (p < 0.05 for all). The differences observed between the two groups included a marginally insignificant more adverse events (p = 0.066) and greater mean serum PSA reduction at 3 months of follow-up (p = 0.056) in group A.ConclusionsBoth 100–300 and 300–500 μm microspheres are safe and effective embolic agents for PAE to treat LUTS-related to BPH. Although functional and imaging outcomes did not differ significantly following use of the two embolic sizes, the greater incidence of adverse events with 100–300 μm microspheres suggests that 300–500 μm embolic materials may be more appropriate.

Molecular modeling of alkyl monolayers on the Si (100)-2 x 1 surface

NARCIS (Netherlands)

Lee, M.V.; Guo, D.; Linford, M.R.; Zuilhof, H.

2004-01-01

Molecular modeling was used to simulate various surfaces derived from the addition of 1-alkenes and 1-alkynes to Si=Si dimers on the Si(100)-2 × 1 surface. The primary aim was to better understand the interactions between adsorbates on the surface and distortions of the underlying silicon crystal

The Small Magellanic Cloud in the far infrared. I. ISO's 170 mu m map and revisit of the IRAS 12-100 mu m data

Science.gov (United States)

Wilke, K.; Stickel, M.; Haas, M.; Herbstmeier, U.; Klaas, U.; Lemke, D.

2003-04-01

The ISOPHOT experiment onboard the ISO satellite generated a complete view of the Small Magellanic Cloud (SMC) at 170 mu m with 1.5 arcmin resolution. The map is analysed using an automated photometry program enabling accurate photometric characterization of the far infrared (FIR) emitting regions. An integrated FIR luminosity of 8.5x 107 Lsun is obtained, leading to a star formation rate of SFRFIR=0.015 Msun/yr. With an average dust temperature of TD, 170/100}=20.5 K>, the total dust mass follows to MD=3.7x105 Msun. In this paper, the sources detected at 170 mu m are compared with those obtainable from the IRAS satellite data. For this purpose, the 12 mu m, 25 mu m, 60 mu m, and 100 mu m IRAS high resolution (HiRes) maps of the SMC are re-examined using the same method. In contrast to former studies, this provides an all-band ISO/IRAS source catalog which is no longer based on eyeball classification, but relies on an algorithm which is capable of automated, repeatable photometry, even for irregular sources. In the mid infrared IRAS bands numerous bright FIR emitting regions in the SMC are detected and classified: 73 sources are found at 12 mu m, 135 at 25 mu m (most of them with Fnu =2.0 Jy. Comparable numbers are found for the two FIR IRAS maps at 60 mu m (384) and 100 mu m (338) with fluxes up to 450 Jy. 70 of the 243 170 mu m sources are assigned a general SED type (``cold'', ``warm'', i.e., 30 K) for the first time. A comparison with earlier IRAS results suggests that many source flux densities in those studies have been under- or overestimated because of non-standardized fitting methods. Many sources with flux densities up to 40 Jy listed in former catalogs cannot be identified in our data. Based on observations with ISO, an ESA project with instruments funded by ESA Member States (especially the PI countries: France, Germany, The Netherlands and the UK) and with the participation of ISAS and NASA. The tables in Appendices A to E are only available in

Emergence and expansion of cosmic space as due to M0-branes

Energy Technology Data Exchange (ETDEWEB)

Sepehri, Alireza, E-mail: alireza.sepehri@uk.ac.ir [Faculty of Physics, Shahid Bahonar University, P.O. Box 76175, Kerman (Iran, Islamic Republic of); Research Institute for Astronomy and Astrophysics of Maragha (RIAAM), P.O. Box 55134-441, Maragha (Iran, Islamic Republic of); Setare, Mohammad Reza, E-mail: rezakord@ipm.ir [Department of Science, University of Kurdistan, Campus of Bijar, Bijar (Iran, Islamic Republic of); Capozziello, Salvatore, E-mail: capozziello@na.infn.it [Dipartimento di Fisica, Universita di Napoli Federico II, 80126, Naples (Italy); INFN Sez. di Napoli, Compl. Univ. di Monte S. Angelo, Edificio G, 80126, Naples (Italy); Gran Sasso Science Institute (INFN), Viale F. Crispi, 7, 67100, L’Aquila (Italy)

2015-12-29

Recently, Padmanabhan discussed that the difference between the number of degrees of freedom on the boundary surface and the number of degrees of freedom in a bulk region causes the accelerated expansion of the universe. The main question arising is: what is the origin of this inequality between the surface degrees of freedom and the bulk degrees of freedom? We answer this question in M-theory. In our model, first M0-branes are compactified on one circle and ND0-branes are created. Then ND0-branes join each other, grow, and form one D5-branes. Next, the D5-brane is compactified on two circles and our universe’s D3-brane, two D1-branes and some extra energies are produced. After that, one of the D1-branes, which is closer to the universe’s brane, gives its energy into it, and this leads to an increase in the difference between the numbers of degrees of freedom and the occurring inflation era. With the disappearance of this D1-brane, the number of degrees of freedom of boundary surface and bulk region become equal and inflation ends. At this stage, extra energies that are produced due to the compactification cause an expansion of the universe and deceleration epoch. Finally, another D1-brane dissolves in our universe’s brane, leads to an inequality between degrees of freedom, and there occurs a new phase of acceleration.

Emergence and expansion of cosmic space as due to M0-branes

International Nuclear Information System (INIS)

Sepehri, Alireza; Setare, Mohammad Reza; Capozziello, Salvatore

2015-01-01

Recently, Padmanabhan discussed that the difference between the number of degrees of freedom on the boundary surface and the number of degrees of freedom in a bulk region causes the accelerated expansion of the universe. The main question arising is: what is the origin of this inequality between the surface degrees of freedom and the bulk degrees of freedom? We answer this question in M-theory. In our model, first M0-branes are compactified on one circle and ND0-branes are created. Then ND0-branes join each other, grow, and form one D5-branes. Next, the D5-brane is compactified on two circles and our universe’s D3-brane, two D1-branes and some extra energies are produced. After that, one of the D1-branes, which is closer to the universe’s brane, gives its energy into it, and this leads to an increase in the difference between the numbers of degrees of freedom and the occurring inflation era. With the disappearance of this D1-brane, the number of degrees of freedom of boundary surface and bulk region become equal and inflation ends. At this stage, extra energies that are produced due to the compactification cause an expansion of the universe and deceleration epoch. Finally, another D1-brane dissolves in our universe’s brane, leads to an inequality between degrees of freedom, and there occurs a new phase of acceleration

Ab initio characterization of coupling strength for all types of dangling-bond pairs on the hydrogen-terminated Si(100)-2 × 1 surface

Science.gov (United States)

Shaterzadeh-Yazdi, Zahra; Sanders, Barry C.; DiLabio, Gino A.

2018-04-01

Recent work has suggested that coupled silicon dangling bonds sharing an excess electron may serve as building blocks for quantum-cellular-automata cells and quantum computing schemes when constructed on hydrogen-terminated silicon surfaces. In this work, we employ ab initio density-functional theory to examine the details associated with the coupling between two dangling bonds sharing one excess electron and arranged in various configurations on models of phosphorous-doped hydrogen-terminated silicon (100) surfaces. Our results show that the coupling strength depends strongly on the relative orientation of the dangling bonds on the surface and on the separation between them. The orientation of dangling bonds is determined by the anisotropy of the silicon (100) surface, so this feature of the surface is a significant contributing factor to variations in the strength of coupling between dangling bonds. The results demonstrate that simple models for approximating tunneling, such as the Wentzel-Kramer-Brillouin method, which do not incorporate the details of surface structure, are incapable of providing reasonable estimates of tunneling rates between dangling bonds. The results provide guidance to efforts related to the development of dangling-bond based computing elements.

Fluid flow in 0.5-m scale blocks of Topopah Spring tuff

International Nuclear Information System (INIS)

Blair, S. C.; Carlson, S. R.; Constantino, M. S.

1999-01-01

A laboratory experiment was conducted on a 0.5-m scale block of Topopah Spring tuff, to measure fluid flow and mechanical deformation properties under conditions that approximate the near-field environment of a potential nuclear waste repository, and to provide an intermediate-scale test case for numerical model validation. The test specimen is a 0.25 x 0.25 x 0.50 m rectangular prism bisected by an artificial (saw-cut) fracture orthogonal to the tuff fabric. Water was supplied by a point source at the center of the fracture under various pressures of up to 0.04 MPa. Both fluid flow and mechanical properties were found to be anisotropic and strongly correlated with the ash flow fabric. Fluid mass-balance measurements revealed that only minor imbibition of water occurred through the fracture surfaces and that flow rates were independent of normal stress to 14.0 MPa and temperature to 140 C. Flow through the fracture occurred largely through uncorrelated porosity that intersected the fracture plane

Comparative analysis of germanium-silicon quantum dots formation on Si(100), Si(111) and Sn/Si(100) surfaces

Science.gov (United States)

Lozovoy, Kirill; Kokhanenko, Andrey; Voitsekhovskii, Alexander

2018-02-01

In this paper theoretical modeling of formation and growth of germanium-silicon quantum dots in the method of molecular beam epitaxy (MBE) on different surfaces is carried out. Silicon substrates with crystallographic orientations (100) and (111) are considered. Special attention is paid to the question of growth of quantum dots on the silicon surface covered by tin, since germanium-silicon-tin system is extremely important for contemporary nano- and optoelectronics: for creation of photodetectors, solar cells, light-emitting diodes, and fast-speed transistors. A theoretical approach for modeling growth processes of such semiconductor compounds during the MBE is presented. Both layer-by-layer and island nucleation stages in the Stranski-Krastanow growth mode are described. A change in free energy during transition of atoms from the wetting layer to an island, activation barrier of the nucleation, critical thickness of 2D to 3D transition, as well as surface density and size distribution function of quantum dots in these systems are calculated with the help of the established model. All the theoretical speculations are carried out keeping in mind possible device applications of these materials. In particular, it is theoretically shown that using of the Si(100) surface covered by tin as a substrate for Ge deposition may be very promising for increasing size homogeneity of quantum dot array for possible applications in low-noise selective quantum dot infrared photodetectors.

Scanning tunnel microscopic image of tungsten (100) and (110) real surfaces and nature of conduction electron reflection

International Nuclear Information System (INIS)

Pryadkin, S.L.; Tsoj, V.S.

1988-01-01

The electrically polished (100) and (110) surfaces of tungsten are studied with the aid of a scanning tunnel microscope at atmospheric pressure. The (110) surface consists of a large number of atomically plane terraces whereas the (100) surface is faceted. The scanning tunnel microscope data can explain such results of experiments on transverse electron focussing as the strong dependence of the probability for specular reflection of conduction electrons scattered by the (100) surface on the electron de Broglie wavelength and the absence of a dependence of the probability for specular reflection on the wavelength for the (110) surface

Level and Contamination Assessment of Environmentally Sensitive Elements in Smaller than 100 μm Street Dust Particles from Xining, China

Directory of Open Access Journals (Sweden)

Ni Zhao

2014-02-01

Full Text Available Concentrations of the environmentally sensitive elements (ESEs As, Co, Cu, Mn, Ni, Pb, V and Zn in smaller than 100 μm street dust particles from Xining were measured using X-ray fluorescence spectrometry and their contamination levels were assessed based on enrichment factor (EF, geoaccumulation index (Igeo and pollution load index (PLI. The concentrations of As, Co, Cu, Mn, Ni, Pb, V and Zn in smaller than 100 μm street dust particles from Xining are 0.1–0.8, 2.7–10.9, 0.7–5.2, 0.3–1.1, 0.6–2.5, 1.2–11.1, 0.7–1.3 and 0.4–2.9 times the background values of Qinghai soil, respectively. The calculated EF and Igeo values reveal the order Co > Pb > Cu > Zn > V > Ni > Mn > As. The EF and Igeo values of Co, Cu, Pb and Zn are higher indicating that there is considerable pollution by these elements in smaller than 100 μm street dust particles, especially for Co. The EF and Igeo of Mn, Ni and V are lower and the assessment results indicate an absence of distinct Mn, Ni and V pollution in the studied samples. The mean value of PLIsite is 1.14, indicating a slightly pollution in the whole city of Xining. The order of PLIarea for the five tested districts is Center District (CD > East District (ED > West District (WD > North District (ND > South District (SD, showing that ESEs pollution in the South District is the lightest while it is the highest in the Central District.

Structural origin of Si-2p core-level shifts from Si(100)-c[4x2] surface: A spectral x-ray photoelectron diffraction study

Energy Technology Data Exchange (ETDEWEB)

Chen, X.; Tonner, B.P. [Univ. of Wisconsin, Milwaukee, WI (United States); Denlinger, J. [Univ. of Wisconsin, Milwaukee, WI (United States)][Ernest Orlando Lawrence Berkeley National Lab., CA (United States)] [and others

1997-04-01

The authors have performed angle-resolved x-ray photoelectron diffraction (XPD) from a Si(100)-c(4x2) surface to study the structural origin of Si-2p core-level shifts. In the experiment, the highly resolved surface Si-2p core-level spectra were measured as a fine grid of hemisphere and photon energies, using the SpectroMicroscopy Facility {open_quotes}ultraESCA{close_quotes} instrument. By carefully decomposing the spectra into several surface peaks, the authors are able to obtain surface-atom resolved XPD patterns. Using a multiple scattering analysis, they derived a detailed atomic model for the Si(100)-c(4x2) surface. In this model, the asymmetric dimers were found tilted by 11.5 plus/minus 2.0 degrees with bond length of 2.32 plus/minus 0.05{angstrom}. By matching model XPD patterns to experiment, the authors can identify which atoms in the reconstructed surface are responsible for specific photoemission lines in the 2p spectrum.

Benchmark experiment for the cross section of the 100Mo(p,2n)99mTc and 100Mo(p,pn)99Mo reactions

Science.gov (United States)

Takács, S.; Ditrói, F.; Aikawa, M.; Haba, H.; Otuka, N.

2016-05-01

As nuclear medicine community has shown an increasing interest in accelerator produced 99mTc radionuclide, the possible alternative direct production routes for producing 99mTc were investigated intensively. One of these accelerator production routes is based on the 100Mo(p,2n)99mTc reaction. The cross section of this nuclear reaction was studied by several laboratories earlier but the available data-sets are not in good agreement. For large scale accelerator production of 99mTc based on the 100Mo(p,2n)99mTc reaction, a well-defined excitation function is required to optimise the production process effectively. One of our recent publications pointed out that most of the available experimental excitation functions for the 100Mo(p,2n)99mTc reaction have the same general shape while their amplitudes are different. To confirm the proper amplitude of the excitation function, results of three independent experiments were presented (Takács et al., 2015). In this work we present results of a thick target count rate measurement of the Eγ = 140.5 keV gamma-line from molybdenum irradiated by Ep = 17.9 MeV proton beam, as an integral benchmark experiment, to prove the cross section data reported for the 100Mo(p,2n)99mTc and 100Mo(p,pn)99Mo reactions in Takács et al. (2015).

5-μm vertical external-cavity surface-emitting laser (VECSEL) for spectroscopic applications

Science.gov (United States)

Rahim, M.; Khiar, A.; Felder, F.; Fill, M.; Zogg, H.; Sigrist, M. W.

2010-08-01

Mid-IR tunable VECSELs (Vertical External-Cavity Surface-Emitting Lasers) emitting at 4-7 μm wavelengths and suitable for spectroscopic sensing applications are described. They are realized with lead-chalcogenide (IV-VI) narrow band gap materials. The active part, a single 0.6-2-μm thick PbTe or PbSe gain layer, is grown onto an epitaxial Bragg mirror consisting of two or three Pb1- y Eu y Te/BaF2 quarter-wavelength layer pairs. All layers are deposited by MBE in a single run employing a BaF2 or Si substrate, no further processing is needed. The cavity is completed with an external curved top mirror, which is again realized with an epitaxial Bragg structure. Pumping is performed optically with a 1.5-μm laser. Maximum output power for pulsed operation is currently up to >1 Wp at -173°C and >10 mW at 10°C. In continuous wave (CW) operation, 18 mW at 100 K are reached. Still higher operating temperatures and/or powers are expected with better heat-removal structures and better designs employing QW (Quantum-Wells). Advantages of mid-IR VECSELs compared to edge-emitting lasers are their very good beam quality (circular beam with 15 μm are accessible with Pb1- y X y Z (X=Sr, Eu, Sn, Z=Se, Te) and/or including QW.

tavgM_2d_rad_Nx: MERRA 2D IAU Diagnostic, Radiation Surface and TOA, Monthly Mean 0.667 x 0.5 degree V5.2.0 (MATMNXRAD) at GES DISC

Data.gov (United States)

National Aeronautics and Space Administration — The MATMNXRAD or tavgM_2d_rad_Nx data product is the MERRA Data Assimilation System 2-Dimensional surface and TOA radiation flux that is time averaged single-level...

Quantum interference in grazing scattering of swift He atoms from LiF(0 0 1) surfaces: Surface eikonal approximation

Energy Technology Data Exchange (ETDEWEB)

Gravielle, M.S. [Instituto de Astronomia y Fisica del Espacio, CONICET, Casilla de Correo 67, Sucursal 28, 1428 Buenos Aires (Argentina); Dpto. de Fisica, FCEN, Universidad de Buenos Aires, Buenos Aires (Argentina)], E-mail: msilvia@iafe.uba.ar; Miraglia, J.E. [Instituto de Astronomia y Fisica del Espacio, CONICET, Casilla de Correo 67, Sucursal 28, 1428 Buenos Aires (Argentina); Dpto. de Fisica, FCEN, Universidad de Buenos Aires, Buenos Aires (Argentina)

2009-02-15

This work deals with the interference effects recently observed in grazing collisions of few-keV atoms with insulator surfaces. The process is studied within a distorted-wave method, the surface eikonal approximation, based on the use of the eikonal wave function and involving axial channeled trajectories with different initial conditions. The theory is applied to helium atoms impinging on a LiF(0 0 1) surface along the <1 1 0> direction. The role played by the projectile polarization and the surface rumpling is investigated. We found that when both effects are included, the proposed eikonal approach provides angular projectile spectra in good agreement with the experimental findings.

Electron Spin Resonance in CuSO45H2O down to 100 mK

Science.gov (United States)

Kadowaki, Kazuo; Chiba, Yoshiaki; Kindo, Koichi; Date, Muneyuki

1988-12-01

Copper sulfate pentahydrate CuSO45H2O is investigated by ESR at 9, 17, 24, 35 and 50 GHz regions down to about 100 mK using a combined cryostat of 3He and adiabatic demagnetization. The temperature dependent exchange interaction JAB between inequivalent site spins A and B is found. It is about 0.11 K at room temperature and increases with decreasing temperature up to 0.24 K. Temperature dependent resonance shifts are attributed to the exchange shift coming from non-resonant dissimilar spins. Partial order effect below 1 K is discussed.

Pulsed melting of silicon (111) and (100) surfaces simulated by molecular dynamics

International Nuclear Information System (INIS)

Abraham, F.F.; Broughton, J.Q.

1986-01-01

The pulsed heating of Si (100) and (111) surfaces has been simulated by molecular dynamics. The (111) crystal-melt interface propagates by layer-by-layer growth whereas the (100) interface grows in a continuous fashion. The equilibrium crystal-melt interface is sharp for the (111) orientation and broad for the (100) orientation. These simulations are the first use of nonpairwise potentials to study interfaces between condensed phases, and the results support models of interfaces which heretofore had to be deduced from indirect experimental information

Clustering and segregation of small vacancy clusters near tungsten (0 0 1) surface

Science.gov (United States)

Duan, Guohua; Li, Xiangyan; Xu, Yichun; Zhang, Yange; Jiang, Yan; Hao, Congyu; Liu, C. S.; Fang, Q. F.; Chen, Jun-Ling; Luo, G.-N.; Wang, Zhiguang

2018-01-01

Nanoporous metals have been shown to exhibit radiation-tolerance due to the trapping of the defects by the surface. However, the behavior of vacancy clusters near the surface is not clear which involves the competition between the self-trapping and segregation of small vacancy clusters (Vn) nearby the surface. In this study, we investigated the energetic and kinetic properties of small vacancy clusters near tungsten (0 0 1) surface by combining molecular statics (MS) calculations and object Kinetic Monte Carlo (OKMC) simulations. Results show that vacancies could be clustered with the reduced formation energy and migration energy of the single vacancy around a cluster as the respective energetic and kinetic driving forces. The small cluster has a migration energy barrier comparable to that for the single vacancy; the migration energy barriers for V1-5 and V7 are 1.80, 1.94, 2.17, 2.78, 3.12 and 3.11 eV, respectively. Clusters and become unstable near surface (0 0 1) and tend to dissociate into the surface. At the operation temperature of 1000 K, the single vacancy, V2, 2 V 3 V3 and V4 were observed to segregate to the surface within a time of one hour. Meanwhile, larger clusters survived near the surface, which could serve as nucleating center for voids near the surface. Our results suggest that under a low radiation dose, surface (0 0 1) could act as a sink for small vacancy clusters, alleviating defect accumulation in the material under a low radiation dose. We also obtained several empirical expressions for the vacancy cluster formation energy, binding energy, and trapping radius as a function of the number of vacancies in the cluster.

THE S{sup 4}G PERSPECTIVE ON CIRCUMSTELLAR DUST EXTINCTION OF ASYMPTOTIC GIANT BRANCH STARS IN M100

Energy Technology Data Exchange (ETDEWEB)

Meidt, Sharon E.; Schinnerer, Eva [Max-Planck-Institut fuer Astronomie/Koenigstuhl 17, D-69117 Heidelberg (Germany); Munoz-Mateos, Juan-Carlos; Kim, Taehyun [National Radio Astronomy Observatory, Charlottesville, VA (United States); Holwerda, Benne [European Space Agency, ESTEC, Keplerlaan 1, 2200 AG, Noordwijk (Netherlands); Ho, Luis C.; Madore, Barry F.; Sheth, Kartik; Menendez-Delmestre, Karin; Seibert, Mark [The Observatories of the Carnegie Institution for Science, Pasadena, CA (United States); Knapen, Johan H. [Instituto de Astrofisica de Canarias, Tenerife (Spain); Bosma, Albert; Athanassoula, E. [Laboratoire d' Astrophysique de Marseille (LAM), Marseille (France); Hinz, Joannah L. [Department of Astronomy, University of Arizona, Tucson, AZ (United States); Regan, Michael [Space Telescope Science Institute, Baltimore, MD (United States); De Paz, Armando Gil [Departamento de Astrofisica, Universidad Complutense Madrid, Madrid (Spain); Mizusawa, Trisha [Spitzer Science Center, Pasadena, CA (United States); Gadotti, Dimitri A. [European Southern Observatory, Santiago (Chile); Laurikainen, Eija; Salo, Heikki [Astronomy Division, Department of Physical Sciences, University of Oulu, Oulu (Finland); and others

2012-04-01

We examine the effect of circumstellar dust extinction on the near-IR (NIR) contribution of asymptotic giant branch (AGB) stars in intermediate-age clusters throughout the disk of M100. For our sample of 17 AGB-dominated clusters we extract optical-to-mid-IR spectral energy distributions (SEDs) and find that NIR brightness is coupled to the mid-IR dust emission in such a way that a significant reduction of AGB light, of up to 1 mag in the K band, follows from extinction by the dust shell formed during this stage. Since the dust optical depth varies with AGB chemistry (C-rich or O-rich), our results suggest that the contribution of AGB stars to the flux from their host clusters will be closely linked to the metallicity and the progenitor mass of the AGB star, to which dust chemistry and mass-loss rate are sensitive. Our sample of clusters-each the analogue of a {approx}1 Gyr old post-starburst galaxy-has implications within the context of mass and age estimation via SED modeling at high-z: we find that the average {approx}0.5 mag extinction estimated here may be sufficient to reduce the AGB contribution in the (rest-frame) K band from {approx}70%, as predicted in the latest generation of synthesis models, to {approx}35%. Our technique for selecting AGB-dominated clusters in nearby galaxies promises to be effective for discriminating the uncertainties associated with AGB stars in intermediate-age populations that plague age and mass estimation in high-z galaxies.

A density functional theory study of partial oxidation of propylene on Cu{sub 2}O(0 0 1) and CuO(0 0 1) surfaces

Energy Technology Data Exchange (ETDEWEB)

Düzenli, Derya [Chemical Engineering Department, Middle East Technical University, 06800 Ankara (Turkey); Mineral Analysis and Technology, General Directorate of Mineral Research and Exploration, 06800 Ankara (Turkey); Atmaca, Deniz Onay; Gezer, Miray Gülbiter [Chemical Engineering Department, Middle East Technical University, 06800 Ankara (Turkey); Onal, Isik, E-mail: ional@metu.edu.tr [Chemical Engineering Department, Middle East Technical University, 06800 Ankara (Turkey)

2015-11-15

Graphical abstract: - Highlights: • Propylene epoxidation mechanism on Cu{sub 2}O(0 0 1) and CuO(0 0 1) surfaces is investigated using DFT method. • Acrolein is found to be a thermodynamically more favorable product for both surfaces especially over CuO surface. • The more basic property of the surface oxygen increases the probability of acrolein formation over CuO(0 0 1) surface. - Abstract: This work theoretically investigates propylene epoxidation reaction on Cu{sub 2}O(0 0 1) and CuO(0 0 1) surfaces using periodical DFT method to determine the active copper species within the reaction mechanism. The transition states and energy profiles are calculated for the formation of surface intermediates such as oxametallopropylene (OMP) over Cu{sub 2}O(0 0 1) and oxygen bridging (OB) over CuO(0 0 1) and allylic H-stripping reaction (AHS) over both surfaces as well as for formation of products. Propylene oxide (PO) and acetone are obtained through OMP and OB surface intermediates and acrolein generation is observed through allylic H-stripping reaction (AHS). The calculations revealed that the corresponding surface intermediates for epoxidation reaction need to overcome an activation barrier of 13 kcal/mol over CuO surface whereas they occur without an energy barrier over Cu{sub 2}O surface indicating the higher activity of Cu{sup +} species. Acrolein is also found to be a thermodynamically more favorable product for both surfaces especially over CuO surface due to the presence of more surface oxygen atoms on which the basicity has been evaluated by the adsorption of sulfur dioxide. This indicates that the lattice oxygen inherent in both surface types does not participate in PO production.

Self-diffusion on (100), (110), and (111) surfaces of Ni and Cu: A detailed study of prefactors and activation energies

International Nuclear Information System (INIS)

Ku'rpick, Ulrike

2001-01-01

We calculate activation barriers and prefactors for diffusion via hopping on (100), (110), and (111) surfaces of Ni and Cu. The calculations reveal that, when activation barriers decrease there is also a decrease in the prefactors such that the changes in both quantities partly compensate for each other with respect to the diffusivities. Thermodynamic functions which contribute to the prefactors are calculated from local vibrational density of states, showing that mainly entropy contributions control the prefactors. Our method allows one to trace the obtained values back to vibrational properties of the adatoms in both the minimum-energy and transition-state configurations, and enables a physical understanding of why prefactors have certain values

Massive stars evolution with mass-loss. 20-100 M(sun) models

Energy Technology Data Exchange (ETDEWEB)

Chiosi, C; Sreenivasan, S R [Calgary Univ., Alberta (Canada). Dept. of Physics; Nasi, E [Padua Univ. (Italy). Istituto di Astronomia

1978-02-01

The evolution of stars with initial masses 20, 30, 40, 60, 80, 100 M(sun) and Population I chemical composition (X = 0.700, Z = 0.02) is calculated, taking into account mass-loss due to stellar winds, from the main sequence up to the early stages of central He-burning. This study incorporates mass-loss rates predicted by the theory of Castor et al. (1975) for the early type phases and a novel way of treating mass-loss rates due to acoustic energy flux driven winds in the later stages analogous to the work of Fusi-Pecci and Renzini (1975a). The results are presented in terms of evolutionary tracks, isochrones, loci of constant mass-loss rates and loci of constant mass in the HR diagram. The effects of mass-loss on the internal structure of the models as well as on the occurrence of semiconvection are also investigated. A detailed comparison of the theoretical predictions and observational results is made and possible implications for O, Of, Wolf-Rayet stars and red supergiants are brought out.

Expansion Hamiltonian model for a diatomic molecule adsorbed on a surface: Vibrational states of the CO/Cu(100) system including surface vibrations

Energy Technology Data Exchange (ETDEWEB)

Meng, Qingyong, E-mail: mengqingyong@dicp.ac.cn [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Zhongshan Road 457, 116023 Dalian (China); Meyer, Hans-Dieter, E-mail: hans-dieter.meyer@pci.uni-heidelberg.de [Theoretische Chemie, Physikalisch-Chemisches Institut, Ruprecht-Karls Universität Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg (Germany)

2015-10-28

Molecular-surface studies are often done by assuming a corrugated, static (i.e., rigid) surface. To be able to investigate the effects that vibrations of surface atoms may have on spectra and cross sections, an expansion Hamiltonian model is proposed on the basis of the recently reported [R. Marquardt et al., J. Chem. Phys. 132, 074108 (2010)] SAP potential energy surface (PES), which was built for the CO/Cu(100) system with a rigid surface. In contrast to other molecule-surface coupling models, such as the modified surface oscillator model, the coupling between the adsorbed molecule and the surface atoms is already included in the present expansion SAP-PES model, in which a Taylor expansion around the equilibrium positions of the surface atoms is performed. To test the quality of the Taylor expansion, a direct model, that is avoiding the expansion, is also studied. The latter, however, requests that there is only one movable surface atom included. On the basis of the present expansion and direct models, the effects of a moving top copper atom (the one to which CO is bound) on the energy levels of a bound CO/Cu(100) system are studied. For this purpose, the multiconfiguration time-dependent Hartree calculations are carried out to obtain the vibrational fundamentals and overtones of the CO/Cu(100) system including a movable top copper atom. In order to interpret the results, a simple model consisting of two coupled harmonic oscillators is introduced. From these calculations, the vibrational levels of the CO/Cu(100) system as function of the frequency of the top copper atom are discussed.

A density functional theory study of partial oxidation of propylene on Cu2O(0 0 1) and CuO(0 0 1) surfaces

Science.gov (United States)

Düzenli, Derya; Atmaca, Deniz Onay; Gezer, Miray Gülbiter; Onal, Isik

2015-11-01

This work theoretically investigates propylene epoxidation reaction on Cu2O(0 0 1) and CuO(0 0 1) surfaces using periodical DFT method to determine the active copper species within the reaction mechanism. The transition states and energy profiles are calculated for the formation of surface intermediates such as oxametallopropylene (OMP) over Cu2O(0 0 1) and oxygen bridging (OB) over CuO(0 0 1) and allylic H-stripping reaction (AHS) over both surfaces as well as for formation of products. Propylene oxide (PO) and acetone are obtained through OMP and OB surface intermediates and acrolein generation is observed through allylic H-stripping reaction (AHS). The calculations revealed that the corresponding surface intermediates for epoxidation reaction need to overcome an activation barrier of 13 kcal/mol over CuO surface whereas they occur without an energy barrier over Cu2O surface indicating the higher activity of Cu+ species. Acrolein is also found to be a thermodynamically more favorable product for both surfaces especially over CuO surface due to the presence of more surface oxygen atoms on which the basicity has been evaluated by the adsorption of sulfur dioxide. This indicates that the lattice oxygen inherent in both surface types does not participate in PO production.

Experimental investigation into effect of cutting parameters on surface integrity of hardened tool steel

Science.gov (United States)

Bashir, K.; Alkali, A. U.; Elmunafi, M. H. S.; Yusof, N. M.

2018-04-01

Recent trend in turning hardened materials have gained popularity because of its immense machinability benefits. However, several machining processes like thermal assisted machining and cryogenic machining have reveal superior machinability benefits over conventional dry turning of hardened materials. Various engineering materials have been studied. However, investigations on AISI O1 tool steel have not been widely reported. In this paper, surface finish and surface integrity dominant when hard turning AISI O1 tool steel is analysed. The study is focused on the performance of wiper coated ceramic tool with respect to surface roughness and surface integrity of hardened tool steel. Hard turned tool steel was machined at varying cutting speed of 100, 155 and 210 m/min and feed rate of 0.05, 0.125 and 0.20mm/rev. The depth of cut of 0.2mm was maintained constant throughout the machining trials. Machining was conducted using dry turning on 200E-axis CNC lathe. The experimental study revealed that the surface finish is relatively superior at higher cutting speed of 210m/min. The surface finish increases when cutting speed increases whereas surface finish is generally better at lower feed rate of 0.05mm/rev. The experimental study conducted have revealed that phenomena such as work piece vibration due to poor or improper mounting on the spindle also contributed to higher surface roughness value of 0.66Ra during turning at 0.2mm/rev. Traces of white layer was observed when viewed with optical microscope which shows evidence of cutting effects on the turned work material at feed rate of 0.2 rev/min

Effects of Different Conditioning Activities on 100-m Dash Performance in High School Track and Field Athletes.

Science.gov (United States)

Ferreira-Júnior, João B; Guttierres, Ana P M; Encarnação, Irismar G A; Lima, Jorge R P; Borba, Diego A; Freitas, Eduardo D S; Bemben, Michael G; Vieira, Carlos A; Bottaro, Martim

2018-01-01

This study compared the effects of different conditioning activities on the 100-m dash performance of 11 male, high school track and field athletes (mean age = 16.3; SD = 1.2 years). Participants performed a 100-m dash seven minutes after each of four randomized conditioning protocols, with each condition and 100-m dash separated by 3-10 days. The conditioning protocols were (a) control, no conditioning activity; (b) weighted plyometric, three sets of 10 repetitions of alternate leg bounding with additional load of 10% of the body mass; (c) free sprint, two 20-m sprints; and (d) resisted sprint (RS), two 20-m resisted sprints using an elastic tubing tool. We obtained session ratings of perceived exertion (SRPE) immediately after each conditioning protocol. There were no significant differences between any of the three experimental conditioning activities on 100-m sprint time, but the RS protocol improved 100-m sprint time compared with the control (no conditioning) protocol ( p < .001). The RS also led to greater sprint velocity and higher SRPE compared with the control condition ( p < .01). There was no significant association between SRPE and 100-m performance ( p = .77, r = .05). These results suggest a benefit for young male track and field athletes to the elastic tubing warm-up activities prior to the 100-m dash.

An analysis of whistler mode radiation from a 100 mA electron beam

International Nuclear Information System (INIS)

Goerke, R.T.; Kellogg, P.J.; Monson, S.J.

1990-01-01

Observations of whistler mode radiation generated by 2-, 4-, and 8-keV electron beams with a current of 100 mA, are analyzed. The electron accelerator was carried to ionospheric heights by a Nike Black Brant V rocket (National Research Council of Canada NVB-06). The instability causing the whistler mode radiation is investigated. Spectral measurements (0.1-13.0 MHz), from a sweeping receiver located on the ejected forward payload, are used to determine the nature of the instability. The sweeping receiver was connected alternatively to an electric or a magnetic dipole antenna. Most of the whistler mode radiation detected was consistent with Cerenkov radiation. The radiation fields observed were too large (cB ∼ 0.1 μV/m Hz 1/2 ) to be explained by incoherent processes. If electrostatic bunching in the beam at the plasma frequency is responsible for the whistler radiation, there would be a correlation between the plasma frequency radiation, and the whistler mode radiation for electron beams that are fired toward the detector. The observed correlation is minimal. Hence no evidence was found to support the hypothesis that electrostatic bunching at the plasma frequency was responsible for the enhancement of the whistler mode radiation produced by the NVB-06 electron beam

Emergence and expansion of cosmic space as due to M0-branes

Energy Technology Data Exchange (ETDEWEB)

Sepehri, Alireza [Shahid Bahonar University, Faculty of Physics, Kerman (Iran, Islamic Republic of); Research Institute for Astronomy and Astrophysics of Maragha (RIAAM), Maragha (Iran, Islamic Republic of); Setare, Mohammad Reza [University of Kurdistan, Department of Science, Bijar (Iran, Islamic Republic of); Capozziello, Salvatore [Universita di Napoli Federico II, Dipartimento di Fisica, Naples (Italy); Complutense Univ. di Monte S. Angelo, Naples (Italy); Gran Sasso Science Institute (INFN), L' Aquila (Italy); INFN Sezione di Napoli, Naples (Italy)

2015-12-15

Recently, Padmanabhan (arXiv:1206.4916 [hepth]) discussed that the difference between the number of degrees of freedom on the boundary surface and the number of degrees of freedom in a bulk region causes the accelerated expansion of the universe. The main question arising is: what is the origin of this inequality between the surface degrees of freedom and the bulk degrees of freedom? We answer this question in M-theory. In our model, first M0-branes are compactified on one circle and N D0-branes are created. Then N D0-branes join each other, grow, and form one D5-branes. Next, the D5-brane is compactified on two circles and our universe's D3-brane, two D1-branes and some extra energies are produced. After that, one of the D1-branes, which is closer to the universe's brane, gives its energy into it, and this leads to an increase in the difference between the numbers of degrees of freedom and the occurring inflation era. With the disappearance of this D1-brane, the number of degrees of freedom of boundary surface and bulk region become equal and inflation ends. At this stage, extra energies that are produced due to the compactification cause an expansion of the universe and deceleration epoch. Finally, another D1-brane dissolves in our universe's brane, leads to an inequality between degrees of freedom, and there occurs a new phase of acceleration. (orig.)

Observation of Stable Low Surface Resistance in Large-Grain Niobium SRF Cavities

Energy Technology Data Exchange (ETDEWEB)

Geng, Rongli [Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States); Huang, Shichun [Institute of Modern Physics (IMP)/Chinese Academy of Sciences (CAS), Lanzhou (China)

2016-05-01

Low surface resistance, or high unloaded quality factor (Q0), superconducting radio frequency (SRF) cavities are being pursued actively nowadays as their application in large-scale CW SRF accelerators can save capital and operational cost in cryogenics. There are different options in realization of such cavities. One of them is the large-grain (LG) niobium cavity. In this contribution, we present new experimental results in evaluation of LG niobium cavities cooled down in the presence of an external magnetic field. High Q0 values are achieved even with an ambient magnetic field of up to 100 mG. More over, it is observed that these high Q0 values are super-robust against repeated quench, literally not affected at all after the cavity being deliberately quenched for hundreds of times in the presence of an ambient magnetic field of up to 200 mG.

100 kWe lunar/Mars surface power utilizing the SP-100 reactor with dynamic conversion

International Nuclear Information System (INIS)

Harty, R.B.; Mason, L.S.

1992-01-01

This paper reports on an integration study which was performed coupling an SP-100 reactor with either a Brayton of Stirling power conversion subsystem. a power level of 100 kWe was selected for the study. The power system was to be compatible with both the lunar and Mars surface environment and require no site preparation. In addition, the reactor was to have integral shielding and be completely self-contained, including its own auxiliary power for start-up. Initial reliability studies were performed to determine power conversion redundancy and engine module size. For the lunar environment, the reactor and primary coolant loop would be contained in a guard vessel to protect from a loss of primary loop containment. For the Mars environment, all refractory components including the reactor, primary coolant, and power conversion components would be contained in a vacuum vessel for protection against the CO 2 environment

Comparative Study Using 100–300 Versus 300–500 μm Microspheres for Symptomatic Patients Due to Enlarged-BPH Prostates

Energy Technology Data Exchange (ETDEWEB)

Gonçalves, Octavio Meneghelli, E-mail: octaviogalvao@hotmail.com; Carnevale, Francisco Cesar, E-mail: francisco.carnevale@criep.com.br; Moreira, Airton Mota, E-mail: motamoreira@gmail.com [University of Sao Paulo Medical School, Interventional Radiology Unit (Brazil); Antunes, Alberto Azoubel, E-mail: antunesuro@uol.com.br [University of Sao Paulo Medical School, Division of Urology (Brazil); Rodrigues, Vanessa Cristina, E-mail: vanessapaular@yahoo.com.br [University of Sao Paulo Medical School, Interventional Radiology Unit (Brazil); Srougi, Miguel, E-mail: srougi@terra.com.br [University of Sao Paulo Medical School, Division of Urology (Brazil)

2016-10-15

PurposeThe purpose of the study was to compare safety and efficacy outcomes following prostate artery embolization (PAE) for the treatment of lower urinary tract symptoms (LUTS) due to benign prostatic hyperplasia (BPH) with 100–300 versus 300–500 μm tris-acryl gelatin microspheres.Materials and MethodsPatients were prospectively treated between August 2011 and June 2013 to receive PAE with 100–300 μm (group A) or 300–500 μm (group B) tris-acryl gelatin microspheres. Patients were followed for a minimum of 12 months and were assessed for changes in International Prostate Symptom Score (IPSS), quality of life (QoL) index, prostate volume determined by magnetic resonance imaging, serum prostate specific antigen (PSA), and maximum urine flow rate (Q{sub max}), as well as any treatment-related adverse events.ResultsFifteen patients were included in each group, and PAE was technically successful in all cases. Both groups experienced significant improvement in mean IPSS, QoL, prostate volume, PSA, and Q{sub max} (p < 0.05 for all). The differences observed between the two groups included a marginally insignificant more adverse events (p = 0.066) and greater mean serum PSA reduction at 3 months of follow-up (p = 0.056) in group A.ConclusionsBoth 100–300 and 300–500 μm microspheres are safe and effective embolic agents for PAE to treat LUTS-related to BPH. Although functional and imaging outcomes did not differ significantly following use of the two embolic sizes, the greater incidence of adverse events with 100–300 μm microspheres suggests that 300–500 μm embolic materials may be more appropriate.

Some studies of lead and iron adsorption on the W(100) surface by field emission microscopy

International Nuclear Information System (INIS)

Jones, J.P.; Roberts, E.W.

1978-01-01

The behaviour of lead and iron adsorbed on the W(100) surface has been studied by probe hole field emission microscopy, field desorption, and by measurement of the total energy distribution (TED) of field-emitted electrons. Lead adsorbed at 300 K which reduces the work function of W(100) can be completely removed at 78 K by field desorption below 3.2 V A -1 and the resulting surface has both the work function and TED, which are characteristic of the clean plane. Condensation at 800 K followed by field desorption, results in a plane surface of work function 4.17 eV and an altered TED. This effect is attributed to the microfacetting, which is observed by LEED. The Swanson peak in the W(100) TED which is removed by submonolayer amounts of lead re-emerges at monolayer coverage when lead adopts the (1 X 1) structure. Such behaviour is consistent with the model proposed by Kar and Soven. A spectral peak observed when lead is adsorbed on the reconstructed W(100) surface is thought to derive for the atomic 1 D state. Adsorption of iron on a W(100) surface reduces phi considerably due to dipole formation and efficiently quenches the Swanson peak. (Auth.)

Evolution of 0.7--3.0 M/sub sun/ stars having -1.0< or =[Fe/H]< or =0.0

International Nuclear Information System (INIS)

VandenBerg, D.A.

1985-01-01

Five grids of stellar models have been calculated for masses ranging from 0.7 to 3.0 M/sub sun/ assuming, in turn, a metal abundance [Fe/H] = -1.0, -0.76, -0.46, -0.23, and 0.0. All of the calculations are based on a value of Y = 0.25 for the helium content and α = 1.6 for the ratio of the mixing length to the pressure scale height. The latest improvements in opacity data and nuclear reaction rates have been incorporated into the computations. Moreover, model atmospheres have been used to provide the boundary conditions for the stellar interior calculations as well as to transpose the isochrones, computed for ages from 0.3 x 10 9 to 15 x 10 9 yr, from the theoretical to the (M/sub v/, B-V)-plane. Cousins V-I and V-R colors are also predicted for each of the model sequences, which are extensively tabulated

11 CFR 100.94 - Uncompensated Internet activity by individuals that is not a contribution.

Science.gov (United States)

2010-01-01

..., acting independently or in coordination with any candidate, authorized committee, or political party... of another person's Web site; and any other form of communication distributed over the Internet. (c... definition of contribution: (1) Any payment for a public communication (as defined in 11 CFR 100.26) other...

Molecular beam epitaxy of InxGa1-xAs on InP (100) substrates

International Nuclear Information System (INIS)

Dvoryankina, G.G.; Dvoryankin, V.F.; Petrov, A.G.; Kudryashov, A.A.; Khusid, L.B.

1991-01-01

Heteroepitaxy layers of In x Ga 1-x As in the wide field of compositions (x=0.2-0.8) of 0.2-2.0 μm thick on (100) InP substrates were grown using the methods of epitaxy from molecular beams. Structure, surface morphology and electric properties of layers in relation to their thick and composition were investigated. It was shown that the quality of In x Ga 1-x As layers on (100) InP was more sensitive to tensile strain than compressive strain. Different mechanisms of scattering of free electrons in layers of In x Ga 1-x As(x∼=0.53) on (101) InP were considered

Comparison of the reactivity of alkyl and alkyl amine precursors with native oxide GaAs(100) and InAs(100) surfaces

Energy Technology Data Exchange (ETDEWEB)

Henegar, A.J., E-mail: henegar1@umbc.edu; Gougousi, T., E-mail: gougousi@umbc.edu

2016-12-30

Graphical abstract: The interaction of the native oxides of GaAs(100) and InAs(100) with alkyl (trimethyl aluminum) and alkyl amine (tetrakis dimethylamino titanium) precursors during thermal atomic layer deposition (ALD) of Al{sub 2}O{sub 3} and TiO{sub 2} is compared. Al{sub 2}O{sub 3} if found to be a significantly better barrier against the transport of the surface native oxide during the film deposition as well as after post-deposition heat treatment. This superior blocking ability also limits the removal of the native oxides during the Al{sub 2}O{sub 3} ALD process. - Highlights: • Native oxide diffusion is required for continuous native oxide removal. • The diffusion barrier capabilities of Al{sub 2}O{sub 3} limits native oxide removal during ALD. • Arsenic oxide exhibits higher mobility from InAs compared to GaAs substrates. • Oxygen scavenging from the surface by trimethyl aluminum is confirmed. - Abstract: In this manuscript we compare the interaction of alkyl (trimethyl aluminum) and alkyl amine (tetrakis dimethylamino titanium) precursors during thermal atomic layer deposition with III-V native oxides. For that purpose we deposit Al{sub 2}O{sub 3} and TiO{sub 2}, using H{sub 2}O as the oxidizer, on GaAs(100) and InAs(100) native oxide surfaces. We find that there are distinct differences in the behavior of the two films. For the Al{sub 2}O{sub 3} ALD very little native oxide removal happens after the first few ALD cycles while the interaction of the alkyl amine precursor for TiO{sub 2} and the native oxides continues well after the surface has been covered with 2 nm of TiO{sub 2}. This difference is traced to the superior properties of Al{sub 2}O{sub 3} as a diffusion barrier. Differences are also found in the behavior of the arsenic oxides of the InAs and GaAs substrates. The arsenic oxides from the InAs surface are found to mix more efficiently in the growing dielectric film than those from the GaAs surface. This difference is attributed to

Comparison of the reactivity of alkyl and alkyl amine precursors with native oxide GaAs(100) and InAs(100) surfaces

International Nuclear Information System (INIS)

Henegar, A.J.; Gougousi, T.

2016-01-01

Graphical abstract: The interaction of the native oxides of GaAs(100) and InAs(100) with alkyl (trimethyl aluminum) and alkyl amine (tetrakis dimethylamino titanium) precursors during thermal atomic layer deposition (ALD) of Al_2O_3 and TiO_2 is compared. Al_2O_3 if found to be a significantly better barrier against the transport of the surface native oxide during the film deposition as well as after post-deposition heat treatment. This superior blocking ability also limits the removal of the native oxides during the Al_2O_3 ALD process. - Highlights: • Native oxide diffusion is required for continuous native oxide removal. • The diffusion barrier capabilities of Al_2O_3 limits native oxide removal during ALD. • Arsenic oxide exhibits higher mobility from InAs compared to GaAs substrates. • Oxygen scavenging from the surface by trimethyl aluminum is confirmed. - Abstract: In this manuscript we compare the interaction of alkyl (trimethyl aluminum) and alkyl amine (tetrakis dimethylamino titanium) precursors during thermal atomic layer deposition with III-V native oxides. For that purpose we deposit Al_2O_3 and TiO_2, using H_2O as the oxidizer, on GaAs(100) and InAs(100) native oxide surfaces. We find that there are distinct differences in the behavior of the two films. For the Al_2O_3 ALD very little native oxide removal happens after the first few ALD cycles while the interaction of the alkyl amine precursor for TiO_2 and the native oxides continues well after the surface has been covered with 2 nm of TiO_2. This difference is traced to the superior properties of Al_2O_3 as a diffusion barrier. Differences are also found in the behavior of the arsenic oxides of the InAs and GaAs substrates. The arsenic oxides from the InAs surface are found to mix more efficiently in the growing dielectric film than those from the GaAs surface. This difference is attributed to lower native oxide stability as well as an initial diffusion path formation by the indium oxides.

Surface potentials of (111), (110) and (100) oriented CeO{sub 2−x} thin films

Energy Technology Data Exchange (ETDEWEB)

Wardenga, Hans F.; Klein, Andreas, E-mail: aklein@surface.tu-darmstadt.de

2016-07-30

Highlights: • Fermi level, work function and ionization potential of CeO{sub 2} thin films determined. • The state of the surface is varied by different deposition conditions and post-deposition treatments. • The ionization potential varies more than 2 eV. This is much higher than for other oxide surfaces. • The Fermi level position varies only slightly upon surface oxidation and reduction. • A Ce{sup 3+} concentration of >10% remains on the most strongly oxidized surfaces. - Abstract: Differently oriented CeO{sub 2} thin films were prepared by radio frequency magnetron sputter deposition from a nominally undoped CeO{sub 2} target. (111), (110) and (100) oriented films were achieved by deposition onto Al{sub 2}O{sub 3}(0001)/Pt(111), MgO(110)/Pt(110) and SrTiO{sub 3}:Nb(100) substrates, respectively. Epitaxial growth is verified using X-ray diffraction analysis. The films were analyzed by in situ photoelectron spectroscopy to determine the ionization potential, work function, Fermi level position and Ce{sup 3+} concentration at the surface in dependence of crystal orientation, deposition conditions and post-deposition treatment in reducing and oxidizing atmosphere. We observed a very high variation of the work function and ionization potential of more than 2 eV for all surface orientations, while the Fermi level varies by only 0.3 eV within the energy gap. The work function generally decreases with increasing Ce{sup 3+} surface concentration but comparatively high Ce{sup 3+} concentrations remain even after strongly oxidizing treatments. This is related to the presence of subsurface oxygen vacancies.

Enhanced Selectivity and Uptake Capacity of CO2 and Toluene Adsorption in Co0.5 M0.33 MoS4 (M= Sb or Y) Chalcogels by Impregnated Metal Salts

KAUST Repository

Adhiam, Fatima Abdullah Ahmed

2017-11-17

The synthesis of metal chalcogenide aerogels Co0.5M0.33MoS4 (M= Sb or Y) by the sol-gel method is reported. In this system, the building blocks [MoS4]2− chelated with Co2+ and (Sb3+) or (Y3+) salts in nonaqueous solvents forming amorphous networks with a gel property. The chalcogels obtained after supercritical drying have BET surface areas of 176 m2 g−1 (Co0.5Sb0.33MoS4) and 145 m2 g−1 (Co0.5Y0.33MoS4). Electron microscopy and physisorption studies reveal that the new materials are porous with wide pore size distribution and average pore width of 16 nm. These chalcogels show higher adsorption capacity of toluene vapor (Co0.5Sb0.33MoS4: 387 mg g−1) and (Co0.5Y0.33MoS4: 304 mg g−1) over cyclohexane vapor and high selectivity of CO2 over CH4 or H2, Co0.5Sb0.33MoS4 (CO2/H2: 80 and CO2/CH4: 21), Co0.5Y0.33MoS4 (CO2/H2: 27 and CO2/CH4: 15). We also demonstrated that the impregnation of various metal species like Li+, Mg2+, and Ni2+ significantly enhanced the uptake capacity and selectivity of toluene and CO2 adsorptions in the chacogels.

Sulfur amino acids and alanine on pyrite (100) by X-ray photoemission spectroscopy: Surface or molecular role?

Energy Technology Data Exchange (ETDEWEB)

Sanchez-Arenillas, M.; Galvez-Martinez, S.; Mateo-Marti, E., E-mail: mateome@cab.inta-csic.es

2017-08-31

Highlights: • Surface annealing pretreatment on pyrite surfaces can select molecular adsorption. • Enriched monosulfide species on pyrite (100) surface favors NH{sub 2} adsorption form. • Enriching disulfide species on pyrite (100) surface promotes NH{sub 3}{sup +} adsorption form. • Unique structure of each aminoacid provides a particular fingerprint in the process. • Spectroscopy evidence, pretreatment surface processes drives molecular adsorption. - Abstract: This paper describes the first successful adsorption of the cysteine, cystine, methionine and alanine amino acids on the pyrite (100) surface under ultra-high vacuum conditions with crucial chemical adsorption parameters driving the process. We have demonstrated by X-ray photoemission spectroscopy (XPS) that the surface pretreatment annealing process on pyrite surfaces is a critical parameter driving surface reactivity. The presence of enriched monosulfide species on the pyrite (100) surface favours the amino acid NH{sub 2} chemical form, whereas a longer annealing surface pretreatment of over 3 h repairs the sulfur vacancies in the pyrite, enriching disulfide species on the pyrite surface, which promotes NH{sub 3}{sup +} adsorption due to the sulfur vacancies in the pyrite being replaced by sulfur atom dimers (S{sub 2}{sup 2−}) on the surface. Furthermore, even if the surface chemistry (monosulfide or disulfide species enrichment) is the main factor promoting a partial conversion from NH{sub 2} to NH{sub 3}{sup +} species, the unique chemical structure of each amino acid provides a particular fingerprint in the process.

Fabrication mechanism of friction-induced selective etching on Si(100) surface.

Science.gov (United States)

Guo, Jian; Song, Chenfei; Li, Xiaoying; Yu, Bingjun; Dong, Hanshan; Qian, Linmao; Zhou, Zhongrong

2012-02-23

As a maskless nanofabrication technique, friction-induced selective etching can easily produce nanopatterns on a Si(100) surface. Experimental results indicated that the height of the nanopatterns increased with the KOH etching time, while their width increased with the scratching load. It has also found that a contact pressure of 6.3 GPa is enough to fabricate a mask layer on the Si(100) surface. To understand the mechanism involved, the cross-sectional microstructure of a scratched area was examined, and the mask ability of the tip-disturbed silicon layer was studied. Transmission electron microscope observation and scanning Auger nanoprobe analysis suggested that the scratched area was covered by a thin superficial oxidation layer followed by a thick distorted (amorphous and deformed) layer in the subsurface. After the surface oxidation layer was removed by HF etching, the residual amorphous and deformed silicon layer on the scratched area can still serve as an etching mask in KOH solution. The results may help to develop a low-destructive, low-cost, and flexible nanofabrication technique suitable for machining of micro-mold and prototype fabrication in micro-systems.

Defect chemistry and oxygen transport of (La0.6Sr0.4-xMx)(0.99)Co0.2Fe0.8O3-delta, M = Ca (x=0.05, 0.1), Ba (x=0.1, 0.2), Sr Part I: Defect chemistry

DEFF Research Database (Denmark)

Dalslet, Bjarke Thomas; Søgaard, Martin; Bouwmeester, Henry J.M.

2009-01-01

This paper is the first part of a two part series, where the effects of varying the A-site dopant on the defect chemistry, the diffusion coefficient and the surface catalytic properties of the materials (La0.6Sr0.4 − xMx)0.99Co0.2Fe0.8O3 − δ, M = Sr, Ca (x = 0.05, 0.1), Ba (x = 0.1, 0.2) (LSMFC......) have been investigated. In part I, the findings on the defect chemistry are reported, while the transport properties are reported in part II. Substitution of Sr2+ ions with Ca2+ ions (smaller ionic radius) and Ba2+ ions (larger ionic radius) strains the crystal structure differently for each...... composition while keeping the average valence of the cations constant. The Ba2+ containing materials show the largest oxygen loss at elevated temperatures, while the purely Sr2+ doped material showed the smallest oxygen loss. This was reflected in the partial oxidation entropy of the materials. The measured...

Improved study of electric dipoles on the Si(100)-2 × 1 surface by non-contact scanning nonlinear dielectric microscopy

International Nuclear Information System (INIS)

Suzuki, Masataka; Yamasue, Kohei; Cho, Yasuo; Abe, Masayuki; Sugimoto, Yoshiaki

2014-01-01

We studied a Si(100)-2 × 1 surface by non-contact scanning nonlinear dielectric microscopy (NC-SNDM). Simultaneously taken images of the topography and electric dipole moment distribution show that negative electric dipole moments are locally formed on individual dimers on the surface. In addition, we obtained the dc bias voltage dependence of the ε local (3) signal on a specific dimer by using an atom-tracking technique with NC-SNDM. We observed that the electric dipole induced a surface potential of around −250 mV on the dimer.

Adsorption and surface reaction of bis-diethylaminosilane as a Si precursor on an OH-terminated Si (0 0 1) surface

International Nuclear Information System (INIS)

Baek, Seung-Bin; Kim, Dae-Hee; Kim, Yeong-Cheol

2012-01-01

The adsorption and the surface reaction of bis-diethylaminosilane (SiH 2 [N(C 2 H 5 ) 2 ] 2 , BDEAS) as a Si precursor on an OH-terminated Si (0 0 1) surface were investigated to understand the initial reaction mechanism of the atomic layer deposition (ALD) process using density functional theory. The bond dissociation energies between two atoms in BDEAS increased in the order of Si-H, Si-N, and the rest of the bonds. Therefore, the relatively weak Si-H and Si-N bonds were considered for bond breaking during the surface reaction. Optimum locations of BDEAS for the Si-H and Si-N bond breaking were determined on the surface, and adsorption energies of 0.43 and 0.60 eV, respectively, were obtained. The Si-H bond dissociation energy of the adsorbed BDEAS on the surface did not decrease, so that a high reaction energy barrier of 1.60 eV was required. On the other hand, the Si-N bond dissociation energy did decrease, so that a relatively low reaction energy barrier of 0.52 eV was required. When the surface reaction energy barrier was higher than the adsorption energy, BDEAS would be desorbed from the surface instead of being reacted. Therefore, the Si-N bond breaking would be dominantly involved during the surface reaction, and the result is in good agreement with the experimental data in the literature.

VT Data - Lidar nDSM (0.7m) 2016, Essex, Caledonia, Orange, and Windsor Counties

Data.gov (United States)

Vermont Center for Geographic Information — (Link to Metadata) This metadata applies to the following collection area(s): Middle CT River subbasin 2016 0.7m and related "normalized" Digital Surface Model...

Novel pathways for elimination of chlorine atoms from growing Si(100) surfaces in CVD reactors

Science.gov (United States)

Kunioshi, Nílson; Hagino, Sho; Fuwa, Akio; Yamaguchi, Katsunori

2018-05-01

Reactions leading to elimination of chlorine atoms from growing Si(100) surfaces were simulated using clusters of silicon atoms of different sizes and shapes, and at the UB3LYP/6-31 g(d,p) level of theory. The reactions of type SiCl2(s) + 2 H2(g), where (s) indicates an adsorbed species at the surface and (g) a gas-phase species, were found to proceed in two steps: SiCl2(s) + H2(g) → SiHCl(s) + HCl(g) and SiHCl(s) + H2(g) → SiH2(s) + HCl(g), each having activation energies around 55 kcal/mol, a value which is comparable to experimental values published in the literature. In addition, the results suggested that H-passivation of Si(100) surfaces support reactions leading to canonical epitaxial growth, providing a plausible explanation for the convenience of passivating the surfaces prior to silicon deposition. The reactions analyzed here can therefore be seen as important steps in the mechanism of epitaxial growth of Si(100) surfaces.

Enhanced elevated-temperature performance of LiAl_xSi_0_._0_5Mg_0_._0_5Mn_1_._9_0_-_xO_4 (0≤x≤0.08) cathode materials for high-performance lithium-ion batteries

International Nuclear Information System (INIS)

Zhao, Hongyuan; Liu, Shanshan; Wang, Zhenwei; Cai, Yu; Tan, Ming; Liu, Xingquan

2016-01-01

In order to significantly enhance the elevated-temperature performance of LiSi_0_._0_5Mg_0_._0_5Mn_1_._9_0O_4, the LiAl_xSi_0_._0_5Mg_0_._0_5Mn_1_._9_0_-_xO_4 (0 ≤ x ≤ 0.08) samples were firstly prepared via sol-gel technique. All the obtained samples showed the intrinsic spinel structure without any other detectable impurity phases. Among these samples, the LiAl_0_._0_5Si_0_._0_5Mg_0_._0_5Mn_1_._8_5O_4 sample was found to be optimal possessing regular crystal morphology with clean surfaces and presented much better elevated-temperature cycling stability and rate capability. When carried out at 55 °C, the LiAl_0_._0_5Si_0_._0_5Mg_0_._0_5Mn_1_._8_5O_4 sample exhibited the initial discharge capacity of 123.6 mAh g"−"1 at 0.5C between 3.20 and 4.35 V. After 100 cycles, the discharge capacity could still reach up to 115.9 mAh g"−"1 with capacity retention of 93.8%, which was much higher than that of LiSi_0_._0_5Mg_0_._0_5Mn_1_._9_0O_4. At the higher discharge rate of 10C, a high discharge capacity of 82.5 mAh g"−"1 could be obtained with capacity retention of 95.6% after 50 cycles at 55 °C. By contrast, the LiSi_0_._0_5Mg_0_._0_5Mn_1_._9_0O_4 sample only exhibited 43.7 mAh g"−"1 with lower capacity retention of 61.8%. These results indicate that the introduction of appropriate amount of aluminium ions in the magnesium and silicon co-doped spinel can make up for the shortage of co-doping with magnesium and silicon ions in term of the elevated-temperature performance.

Bulk amorphous alloys: Preparation and properties of (Mg0.98Al0.02)x(Cu0.75Y0.25)100

DEFF Research Database (Denmark)

Eldrup, Morten Mostgaard; Pedersen, Allan Schrøder; Ohnuma, M.

2000-01-01

New bulk amorphous quaternary alloys of the composition (Mg1-xAlx)(60)Cu30Y10 (x = 0 - 0.17) were recently reported by the authors and preliminary results of the influence of Al content on the ability to form a bulk amorphous phase were presented. In the present note we extend this work to look...... for the influence of the Mg-Al content on the glass forming ability by studying a range of compositions, (Mg0.98Al0.02)(x)(Cu0.75Y0.25)(100-x) for x = 60 - 80 at.%. As previously, the alloys were prepared by a relatively simple technique, i.e. rapid cooling of the melt in a wedge-shaped copper mould. This method...... provides a range of cooling rates within a single ingot during the solidification that link the slowly and rapidly cooled microstructure for each alloy composition. Hence, the maximum thickness of the amorphous part of the cast material will be a measure of the glass forming ability (GFA) of the particular...

Effect of carbon coating on electrochemical performance of Li1.048Mn0.381Ni0.286Co0.286O2 cathode material for lithium-ion batteries

International Nuclear Information System (INIS)

Shi, S.J.; Tu, J.P.; Mai, Y.J.; Zhang, Y.Q.; Gu, C.D.; Wang, X.L.

2012-01-01

Highlights: ► Carbon is coated on Li 1.048 Mn 0.381 Ni 0.286 Co 0.286 O 2 by a direct current magnetron sputtering. ► Cycle capability and rate performance are improved after carbon coating. ► A specific capacity of 145 mAh g −1 can be obtained at 5 C (1500 mA g −1 ). ► The coated layer restrains the reaction between the electrolyte and the electrode. - Abstract: Carbon-coated layered oxide Li 1.048 Mn 0.381 Ni 0.286 Co 0.286 O 2 is prepared by combining a co-precipitation and a direct current magnetron sputtering. TEM images show that the carbon layer is relatively well coated on the surface of oxide particles. The Li 1.048 Mn 0.381 Ni 0.286 Co 0.286 O 2 /C composite delivers an initial discharge capacity of 203.2 mAh g −1 between 2.5 and 4.5 V at 0.1 C, and 94% of the initial discharge capacity can be retained after 100 cycles. Moreover, the carbon-coated oxide exhibits noticeable high-rate capacity of 145 mAh g −1 at 5 C, much higher than the pristine one (103 mAh g −1 at 5 C). The improved discharge capacity and cycle performance are attributed to the carbon coating, which protects the Li-rich cathode material from reacting with the electrolyte and retarding the incrassation of SEI film on the surface of oxide particles.

Comparison of synthetic glues and 10-0 nylon in rabbit lamellar keratoplasty.

Science.gov (United States)

Cho, Soon Young; Kim, Man Soo; Oh, Su Ja; Chung, Sung Kun

2013-09-01

To evaluate changes in mean keratometry and to compare wound repair with corneal lamellar grafts in rabbit eyes using human synthetic tissue adhesives and 10-0 nylon. Corneal grafts were made using a 6.0-mm-diameter trephine and blades in the eyes of 15 New Zealand white rabbits. Human fibrin tissue adhesive (Tisseel) was used in group 1, human fibrin tissue adhesive (Beriplast P) was used in group 2, polyethylene glycol adhesive (Coseal) was used in group 3, and 8 bite sutures with 10-0 nylon were used in group 4 (control) for lamellar keratoplasty. Four bite sutures were made with 10-0 nylon in groups 1, 2, and 3. Slit-lamp microscopy and keratometry were performed at 3 days and 1, 2, and 4 weeks after the surgery. Histopathologic and electromicroscopic examinations were performed 4 weeks after the surgery. No inflammation or corneal toxicity was seen in groups 1 and 2. Histologically, a few inflammatory cells were seen in groups 3 and 4. Groups 1, 2, and 3 showed no statistically significant changes in mean keratometry at 4 weeks postoperatively compared with preoperative mean keratometry (Wilcoxon signed-rank test, P = 0.178, 0.208, and 0.889, respectively). The control group showed significant changes in mean keratometry at 4 weeks postoperatively (Wilcoxon signed-rank test, P = 0.018). Human fibrin tissue adhesives were well tolerated in rabbit eyes, with no apparent corneal toxicity. Polyethylene glycol adhesive showed more inflammation and insufficient wound repair compared with human fibrin tissue adhesives. Therefore, human fibrin tissue adhesives can be used as an alternative to sutures in lamellar keratoplasty.

Effect of fluorination treatment on electrochemical properties of M1Ni{sub 3.5}Co{sub 0.6}Mn{sub 0.4}Al{sub 0.5} hydrogen storage alloy

Energy Technology Data Exchange (ETDEWEB)

Huang, Hongxia, E-mail: hhxhunan@yahoo.com.cn [College of Chemistry and Bioengineering, Guilin University of Technology, Guilin (China); Huang, Kelong [College of Chemistry and Chemical Engineering, Central South University (China)

2012-05-15

The influence of surface treatment by solutions of NH{sub 4}F, LiF and LiF containing KBH{sub 4} on the structure and electrochemical properties of the M1Ni{sub 3.5}Co{sub 0.6}Mn{sub 0.4}Al{sub 0.5} hydrogen storage alloy (in which M1 denotes mischmetal) is investigated. The fluorination treatment improves the electrochemical performances of the M1Ni{sub 3.5}Co{sub 0.6}Mn{sub 0.4}Al{sub 0.5} alloy. The maximum discharge capacity (C{sub max}) increases from 314.8 to 325.7 (NH{sub 4}F), 326.5 (LiF) and 316.4 mAh g{sup -1} (LiF+KBH{sub 4}). After 60 cycles, the capacity retention rate increases from 83.5 to 84.8% (NH{sub 4}F), 89.5% (LiF) and 93.9% (LiF+KBH{sub 4}). The results of the linear polarization and anodic polarization reveal that the exchange current density (I{sub 0}) and the limiting current density (I{sub L}) increase after fluorination treatment, indicating an improvement of the kinetics of the hydrogen absorption/desorption. (author)

Surface Science in an MOCVD Environment: Arsenic on Vicinal Ge(100)

International Nuclear Information System (INIS)

Olson, J.M.; McMahon, W.E.

1998-01-01

Scanning tunneling microscope (STM) images of arsine-exposed vicinal Ge(100) surfaces show that most As/Ge steps are reconstructed, and that a variety of different step structures exist. The entire family of reconstructed As/Ge steps can be divided into two types, which we have chosen to call ''single-row'' steps and ''double-row'' steps. In this paper we propose a model for a double-row step created by annealing a vicinal Ge(100) substrate under an arsine flux in a metal-organic chemical vapor deposition (MOCVD) chamber

GAS SURFACE DENSITY, STAR FORMATION RATE SURFACE DENSITY, AND THE MAXIMUM MASS OF YOUNG STAR CLUSTERS IN A DISK GALAXY. II. THE GRAND-DESIGN GALAXY M51

International Nuclear Information System (INIS)

González-Lópezlira, Rosa A.; Pflamm-Altenburg, Jan; Kroupa, Pavel

2013-01-01

We analyze the relationship between maximum cluster mass and surface densities of total gas (Σ gas ), molecular gas (Σ H 2 ), neutral gas (Σ H I ), and star formation rate (Σ SFR ) in the grand-design galaxy M51, using published gas data and a catalog of masses, ages, and reddenings of more than 1800 star clusters in its disk, of which 223 are above the cluster mass distribution function completeness limit. By comparing the two-dimensional distribution of cluster masses and gas surface densities, we find for clusters older than 25 Myr that M 3rd ∝Σ H I 0.4±0.2 , whereM 3rd is the median of the five most massive clusters. There is no correlation withΣ gas ,Σ H2 , orΣ SFR . For clusters younger than 10 Myr, M 3rd ∝Σ H I 0.6±0.1 and M 3rd ∝Σ gas 0.5±0.2 ; there is no correlation with either Σ H 2 orΣ SFR . The results could hardly be more different from those found for clusters younger than 25 Myr in M33. For the flocculent galaxy M33, there is no correlation between maximum cluster mass and neutral gas, but we have determined M 3rd ∝Σ gas 3.8±0.3 , M 3rd ∝Σ H 2 1.2±0.1 , and M 3rd ∝Σ SFR 0.9±0.1 . For the older sample in M51, the lack of tight correlations is probably due to the combination of strong azimuthal variations in the surface densities of gas and star formation rate, and the cluster ages. These two facts mean that neither the azimuthal average of the surface densities at a given radius nor the surface densities at the present-day location of a stellar cluster represent the true surface densities at the place and time of cluster formation. In the case of the younger sample, even if the clusters have not yet traveled too far from their birth sites, the poor resolution of the radio data compared to the physical sizes of the clusters results in measuredΣ that are likely quite diluted compared to the actual densities relevant for the formation of the clusters.

Transport properties of S0.8Se16M0.2 (M = Al, Ag or Cu) system

International Nuclear Information System (INIS)

Wahab, L.A.

2003-01-01

The results are presented of a study of the electrical and optical properties of vacuum evaporated amorphous thin films in the S 0.8 Se 16 M 0.2 (M=Al, Ag or Cu) system. The activation energy and the pre-exponential factor which appear in the dc conductivity are found to be higher in case of Cu than in case of Ag and Al. The reflectance and transmission are used to measure the optical gap. The glass S 0.8 Se 16 Cu 0.2 behaves as a quasi intrinsic semiconductor (the electrical activation energy is about half of the optical gap). The electrical activation energy is about one-third of the optical gap for the chalcogenide glasses S 0.8 Se 16 Al 0.2 and S 0.8 Se 16 Ag 0.2 . The variation in the refractive index and the imaginary part of the dielectric constant with photon energy have also been reported. The influence of composition on the investigated parameters is reported

4.5 μm wavelength vertical external cavity surface emitting laser operating above room temperature

Science.gov (United States)

Rahim, M.; Khiar, A.; Felder, F.; Fill, M.; Zogg, H.

2009-05-01

A midinfrared vertical external cavity surface emitting laser with 4.5 μm emission wavelength and operating above room temperature has been realized. The active part consists of a single 850 nm thick epitaxial PbSe gain layer. It is followed by a 2 1/2 pair Pb1-yEuyTe/BaF2 Bragg mirror. No microstructural processing is needed. Excitation is done optically with a 1.5 μm wavelength laser. The device operates up to 45 °C with 100 ns pulses and delivers 6 mW output power at 27 °C heat-sink temperature.

Interplanetary and lunar surface SP-100 nuclear power applications

International Nuclear Information System (INIS)

Josloff, A.T.; Shepard, N.F.; Smith, M.; Stephen, J.D.

1992-01-01

This paper describes how the SP-100 Space Reactor Power System (SRPS) can be tailored to meet the specific requirements for a lunar surface power system to meet the needs of the consolidation and utilization phases outlined in the 90-day NASA SEI study report. This same basic power system can also be configured to obtain the low specific masses needed to enable robotic interplanetary science missions employing Nuclear Electric Propulsion (NEP). In both cases it is shown that the SP-100 SRPS can meet the specific requirements. For interplanetary NEP missions, performance upgrades currently being developed in the area of light weight radiators and improved thermoelectric material are assumed to be technology ready in the year 2000 time frame. For lunar applications, some system rearrangement and enclosure of critical components are necessary modifications to the present baseline design

Effect of 100 MeV Ag{sup +7} ion irradiation on the bulk and surface magnetic properties of Co–Fe–Si thin films

Energy Technology Data Exchange (ETDEWEB)

Hysen, T., E-mail: hysenthomas@gmail.com [Department of Physics, Cochin University of Science and Technology, Cochin 682 022, Kerala (India); Department of Physics, Christian College, Chengannur, Kerala 689 122 (India); Geetha, P. [Department of Physics, Cochin University of Science and Technology, Cochin 682 022, Kerala (India); Al-Harthi, Salim; Al-Omari, I.A. [Department of Physics, College of Science, Sultan Qaboos University, Al Khod 123 (Oman); Lisha, R. [Department of Physics, Cochin University of Science and Technology, Cochin 682 022, Kerala (India); Ramanujan, R.V. [School of Materials Science and Engineering, Nanyang Technological University, Singapore 639 798 (Singapore); Sakthikumar, D. [Graduate School of Interdisciplinary New Science, Toyo University, Kawagoe (Japan); Avasthi, D.K. [Inter University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110 067 (India); Anantharaman, M.R., E-mail: mra@cusat.ac.in [Department of Physics, Cochin University of Science and Technology, Cochin 682 022, Kerala (India)

2014-12-15

Thin films of Co–Fe–Si were vacuum evaporated on pre-cleaned float glass substrates employing thermal evaporation. The films were subsequently irradiated with 100 MeV Ag{sup +7} ions at fluences of 1×10{sup 11}, 1×10{sup 12} and 1×10{sup 13} ions/cm{sup 2}. The pristine and irradiated samples were subjected to surface analysis using Atomic Force Microscopy (AFM), Vibrating Sample Magnetometry (VSM) and Magneto Optic Kerr Effect (MOKE) measurements. The as deposited film has a root mean square roughness (Rq) of 8.9 nm and an average roughness of (Ra) 5.6 nm. Irradiation of the as deposited films with 100 MeV Ag{sup 7+} ions modifies the surface morphology. Irradiating with ions at fluences of 1×10{sup 11} ions/cm{sup 2} smoothens the mesoscopic hill-like structures, and then, at 1×10{sup 12} ions/cm{sup 2} new surface structures are created. When the fluence is further increased to 1×10{sup 13} ions/cm{sup 2} an increase in the surface roughness is observed. The MOKE loop of as prepared film indicated a squareness ratio of 0.62. As the film is irradiated with fluences of 1×10{sup 11} ions/cm{sup 2}, 1×10{sup 12} ions/cm{sup 2} and 1×10{sup 13} ions/cm{sup 2} the squareness ratio changes to 0.76, 0.8 and 0.86 respectively. This enhancement in squareness ratio towards 1 is a typical feature when the exchange interaction starts to dominates the inherent anisotropies in the system. The variation in surface magnetisation is explained based on the variations in surface roughness with swift heavy ion (SHI) irradiation. - Highlights: • We have irradiated thermally evaporated Co–Fe–Si thin films on glass substrate with 100 MeV Ag{sup +7} ions using the 15 UD Pelletron Accelerator at IUAC, New Delhi, India. • Surface morphology and magnetic characteristics of the films can be altered with ion irradiation. • It was observed that the variation in surface magnetic properties correlates well with the changes in surface morphology, further reiterating the

A pM leveled photoelectrochemical sensor for microcystin-LR based on surface molecularly imprinted TiO2@CNTs nanostructure.

Science.gov (United States)

Liu, Meichuan; Ding, Xue; Yang, Qiwei; Wang, Yu; Zhao, Guohua; Yang, Nianjun

2017-06-05

A simple and highly sensitive photoelectrochemical (PEC) sensor towards Microcystin-LR (MC-LR), a kind of typical cyanobacterial toxin in water samples, was developed on a surface molecular imprinted TiO 2 coated multiwalled carbon nanotubes (MI-TiO 2 @CNTs) hybrid nanostructure. It was synthesized using a feasible two-step sol-gel method combining with in situ surface molecular imprinting technique (MIT). With a controllable core-shell tube casing structure, the resultant MI-TiO 2 @CNTs are enhanced greatly in visible-light driven response capacity. In comparison with the traditional TiO 2 (P25) and non-imprinted (NI-)TiO 2 @CNTs, the MI-TiO 2 @CNTs based PEC sensor showed a much higher photoelectric oxidation capacity towards MC-LR. Using this sensor, the determination of MC-LR was doable in a wide linear range from 1.0pM to 3.0nM with a high photocurrent response sensitivity. An outstanding selectivity towards MC-LR was further achieved with this sensor, proven by simultaneously monitoring 100-fold potential co-existing interferences. The superiority of the obtained MC-LR sensor in sensitivity and selectivity is mainly attributed to the high specific surface area and excellent photoelectric activity of TiO 2 @CNTs heterojunction structure, as well as the abundant active recognition sites on its functionalized molecular imprinting surface. A promising PEC analysis platform with high sensitivity and selectivity for MC-LR has thus been provided. Copyright © 2017 Elsevier B.V. All rights reserved.

Effects of surface treatments of MlNi 4.0Co 0.6Al 0.4 hydrogen storage alloy on the activation, charge/discharge cycle and degradation of Ni/MH batteries

Science.gov (United States)

Chen, Weixiang

The effects of the surface treatment of the hydrogen storage alloy on the activation property and cycle life of nickel/metal-hydride (Ni/MH) batteries were investigated by means of the electrochemical impedance spectra. It was found that the oxide layer on the alloy surface affected its electrochemical properties and catalysis for the oxygen combination. Therefore, Ni/MH battery employed the untreated alloy as negative electrode material exhibited bad activation property, short cycle life and high internal pressure. Because of the improvement in the metal hydride electrode electrochemical characteristics and catalysis for oxygen recombination by the surface treatment of the alloy in 0.02 M KBH 4+6 M KOH or 6 M KOH solution, the battery used the treated alloy as negative exhibited good activation, long cycle life and low internal pressure. The composition and dissolution of the alloy surface were analyzed by an electron probe microanalysis (EPMA) and induced coupled plasma spectroscopy (ICP). It was found that the Ni-rich surface layer was an important factor to improve the activation and cycle life of battery.

Afterslip-dominated surface rupture in the M6.0 South Napa Earthquake as constrained by structure-from-motion analysis and terrestrial laser scanning

Science.gov (United States)

DeLong, S. B.; Pickering, A.; Scharer, K. M.; Hudnut, K. W.; Lienkaemper, J. J.

2014-12-01

Near-fault surface deformation associated with the August 24, 2014 M6.0 South Napa earthquake included both coseismic and post-seismic slip. Initial synthesis of field observations and initial measurement and modeling of afterslip from traditional survey methods indicate that coseismic slip was minimal (continuous, and cultural features extracted from the TLS point clouds indicate horizontal slip magnitudes between 15 and 27 cm, increasing northward. By September 22, slip magnitudes had increased to between 26 and 46 cm. The lower slip magnitudes are to the south at Withers Road, and the general trend is increased slip to the north, but there is more slip variability along the fault trace in the September 15 data. From August 26 to September 15, the west side of the fault trace uplifted between 0.5 and 5 cm relative to east side. Increased relief on the surface rupture itself indicated a slight compressional component of the deformation. These results confirm that post-event air photos can be useful for rapid 3D mapping, and that the unparalleled accuracy of TLS data can be used to quantify even very subtle deformation patterns in three dimensions and document changes through time.

Characterizing aerodynamic roughness length (z0) for a debris-covered glacier: aerodynamic inversion and SfM-derived microtopographic approaches

Science.gov (United States)

Miles, Evan; Steiner, Jakob; Brun, Fanny; Detert, Martin; Buri, Pascal; Pellicciotti, Francesca

2016-04-01

Aerodynamic surface roughness is an essential parameter in surface energy balance studies. While actual measurements on bare ice glaciers are rare, a wide range of literature values exist for ice and snow surfaces. There are very few values suggested for debris covered glaciers and actual measurements are even scarcer - studies instead optimize z0 or use a reference value. The increased use of photogrammetry on glaciers provides an opportunity to characterize the range of z0 values meaningful for debris-covered glaciers. We apply Agisoft's Structure-from-Motion process chain to produce high resolution DEMs for five 1m x 1m plots (1mm resolution) with differing grain-size distributions, as well as a large ~180m x ~180m depression (5cm) on Lirung Glacier in the Nepalese Himalayas. For each plot, we calculate z0 according to transect-based microtopographic parameterisations. We compare individual-transect z0 estimates based on profile position and direction, and develop a grid version of the algorithms aggregating height data from all bidirectional transects. This grid approach is applied to our larger DEM to characterize the variability of z0 across the study site for each algorithm. For the plot DEMs, z0 estimated by any algorithm varies by an order of magnitude based on transect position. Although the algorithms reproduce the same variability among transects and plots, z0 estimates vary by an order of magnitude between algorithms. For any algorithm, however, we find minimal difference between cross- and down-glacier profile directions. At the basin scale, results from different algorithms are strongly correlated and results are more closely clustered with the exception of the Rounce (2015) algorithm, while any algorithm's values range by two orders of magnitude across the study depression. The Rounce algorithm consistently produced the highest z0 values, while the Lettau (1969) and Munro (1989) methods produced the lowest values, and use of the Nield (2013

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.

Hardness and microstructure of Al-10.0 wt% Zn-4.0 wt% Mg alloy

International Nuclear Information System (INIS)

Iqbal, M.; Shaikh, M.A.; Ahmad, W.; Ali, K.L.

1996-01-01

Al-Zn-Mg alloys are widely used in industries as these have excellent physical and mechanical properties. However some aspects of the effect of heat treatment on these alloys are not yet clear. In order to understand the precipitation phenomena in these alloys, microstructure of a locally prepared alloy Al-10.0 wt% Zn-4.0 wt% Mg heat treated under different conditions has been examined in scanning electron microscope/electron probe micro analyser. Precipitates MgZn/sub 2/, MgZn/sub 4/ and Mg/sub 2/Zn/sub 11/ have been observed and these are caused by heat treatment. Correlation between these precipitates and Vickers's hardness has also been studied. In the present paper results of this investigation have been presented and discussed. (author)

Use of a Bayesian isotope mixing model to estimate proportional contributions of multiple nitrate sources in surface water

International Nuclear Information System (INIS)

Xue Dongmei; De Baets, Bernard; Van Cleemput, Oswald; Hennessy, Carmel; Berglund, Michael; Boeckx, Pascal

2012-01-01

To identify different NO 3 − sources in surface water and to estimate their proportional contribution to the nitrate mixture in surface water, a dual isotope and a Bayesian isotope mixing model have been applied for six different surface waters affected by agriculture, greenhouses in an agricultural area, and households. Annual mean δ 15 N–NO 3 − were between 8.0 and 19.4‰, while annual mean δ 18 O–NO 3 − were given by 4.5–30.7‰. SIAR was used to estimate the proportional contribution of five potential NO 3 − sources (NO 3 − in precipitation, NO 3 − fertilizer, NH 4 + in fertilizer and rain, soil N, and manure and sewage). SIAR showed that “manure and sewage” contributed highest, “soil N”, “NO 3 − fertilizer” and “NH 4 + in fertilizer and rain” contributed middle, and “NO 3 − in precipitation” contributed least. The SIAR output can be considered as a “fingerprint” for the NO 3 − source contributions. However, the wide range of isotope values observed in surface water and of the NO 3 − sources limit its applicability. - Highlights: ► The dual isotope approach (δ 15 N- and δ 18 O–NO 3 − ) identify dominant nitrate sources in 6 surface waters. ► The SIAR model estimate proportional contributions for 5 nitrate sources. ► SIAR is a reliable approach to assess temporal and spatial variations of different NO 3 − sources. ► The wide range of isotope values observed in surface water and of the nitrate sources limit its applicability. - This paper successfully applied a dual isotope approach and Bayesian isotopic mixing model to identify and quantify 5 potential nitrate sources in surface water.

Quantum interference in grazing scattering of swift He atoms from LiF(0 0 1) surfaces: Surface eikonal approximation

International Nuclear Information System (INIS)

Gravielle, M.S.; Miraglia, J.E.

2009-01-01

This work deals with the interference effects recently observed in grazing collisions of few-keV atoms with insulator surfaces. The process is studied within a distorted-wave method, the surface eikonal approximation, based on the use of the eikonal wave function and involving axial channeled trajectories with different initial conditions. The theory is applied to helium atoms impinging on a LiF(0 0 1) surface along the direction. The role played by the projectile polarization and the surface rumpling is investigated. We found that when both effects are included, the proposed eikonal approach provides angular projectile spectra in good agreement with the experimental findings.

Measurement uncertainty associated with chromatic confocal profilometry for 3D surface texture characterization of natural human enamel.

Science.gov (United States)

Mullan, F; Bartlett, D; Austin, R S

2017-06-01

To investigate the measurement performance of a chromatic confocal profilometer for quantification of surface texture of natural human enamel in vitro. Contributions to the measurement uncertainty from all potential sources of measurement error using a chromatic confocal profilometer and surface metrology software were quantified using a series of surface metrology calibration artifacts and pre-worn enamel samples. The 3D surface texture analysis protocol was optimized across 0.04mm 2 of natural and unpolished enamel undergoing dietary acid erosion (pH 3.2, titratable acidity 41.3mmolOH/L). Flatness deviations due to the x, y stage mechanical movement were the major contribution to the measurement uncertainty; with maximum Sz flatness errors of 0.49μm. Whereas measurement noise; non-linearity's in x, y, z and enamel sample dimensional instability contributed minimal errors. The measurement errors were propagated into an uncertainty budget following a Type B uncertainty evaluation in order to calculate the Standard Combined Uncertainty (u c ), which was ±0.28μm. Statistically significant increases in the median (IQR) roughness (Sa) of the polished samples occurred after 15 (+0.17 (0.13)μm), 30 (+0.12 (0.09)μm) and 45 (+0.18 (0.15)μm) min of erosion (Pchromatic confocal profilometry was from flatness deviations however by optimizing measurement protocols the profilometer successfully characterized surface texture changes in enamel from erosive wear in vitro. Copyright © 2017 The Academy of Dental Materials. All rights reserved.

Spontaneous dissociation of a conjugated molecule on the Si(100) surface

DEFF Research Database (Denmark)

Lin, Rong; Galili, Michael; Quaade, Ulrich

2002-01-01

The adsorption mechanism of alpha-sexithiophene (alpha-6T) on the clean Si(100)-(2x1) surface has been investigated using scanning tunneling microscopy (STM) and first principles electronic structure calculations. We find that at submonolayer coverage, the alpha-6T molecules are not stable and di...

Annual variations in GPS-measured vertical displacements near Upernavik Isstrøm (Greenland) and contributions from surface mass loading

DEFF Research Database (Denmark)

Liu, Lin; Khan, Shfaqat Abbas; van Dam, Tonie

2017-01-01

variability. Here we examine the annual changes of the vertical displacements measured at two GPS stations (SRMP and UPVK) near Upernavik Isstrøm in western Greenland. We model elastic loading displacements due to various surface mass loading including three non-ice components: atmospheric pressure, ocean...

Impurities in Tc-99m radiopharmaceutical solution obtained from Mo-100 in cyclotron.

Science.gov (United States)

Tymiński, Zbigniew; Saganowski, Paweł; Kołakowska, Ewa; Listkowska, Anna; Ziemek, Tomasz; Cacko, Daniel; Dziel, Tomasz

2018-04-01

The gamma emitting impurities in 99m Tc solution obtained from enriched molybdenum 100 Mo metallic target after its irradiation in a cyclotron were measured using a high-purity germanium (HPGe) detector. The radioactivity range of tested samples of 99m Tc was rather low, in the range from 0.34 to 2.39 MBq, thus creating a challenge to investigate the standard measurement HPGe system for impurity detection and quantification. In the process of 99m Tc separation from irradiated target the AnaLig® Tc-02 resin, Dionex H + and Alumina A columns were used. Fractions of eluates from various steps of separation process were taken and measured for radionuclidic purity. The overall measurement sensitivity of gamma emitters in terms of minimum detectable activity (MDA) was found at the level of 14-70Bq with emission lines in range of 36 - 1836keV resulting in impurity content range of 6.7 × 10 -4 to 3.4 × 10 -3 % for 93 Tc, 93m Tc, 94 Tc, 94m Tc, 95 Tc, 95m Tc, 96 Tc 96 Nb, 97 Nb, 99 Mo contaminants and 9.4 × 10 -3 % for 97m Tc. The usefulness of the chosen measurement conditions and the method applied to testing the potential contaminators was proved by reaching satisfactory results of MDAs less than the criteria of impurity concentration of all nuclides specified in the European Pharmacopoeia. Copyright © 2017 Elsevier Ltd. All rights reserved.

Basic study on neutron activation analysis measuring short-lived nuclides (half-lives 0.7 to 100 s) using JRR-3M NAA facility

International Nuclear Information System (INIS)

Yonezawa, Chushiro; Ichimura, Shigeju; Matsue, Hideaki; Kurosawa, Tatsuya

1998-11-01

Analytical basis for neutron activation analysis (NAA) measuring nuclides of second order half-life produced by (n, γ) reaction has been studied using a neutron activation analysis facility of JRR-3M. Basic experimental conditions such as high count rate gamma-ray measurement, effects of irradiation capsule material and stability of neutron flux were examined. The analytical sensitivities and detection limits for 20 elements of which activated radionuclides have half-lives from 0.7 to 100 s were obtained. Scandium, Hf, Dy and In were elements having the highest analytical sensitivity, with detection limits down to 4.2 to 14 ng. Fluorine, of which determination by other methods is difficult, can be detected in more than 530 ng. Determination of ppm levels of F in silicon nitride powder using a single and cyclic activation methods were performed. Accuracy and precision for F determination were verified by analyzing reference materials of Opal Glass (NIST SRM91) and Oyster Tissue (NIST SRM1566a). The relationship between the detection limit of F and Al contents was also clarified. Analytical applications of high sensitive elements such as Se, Sc, Hf, In and Dy in various materials, including reference materials, were also examined and the accuracy, precision and detection limits of the present method were evaluated. (author)

Half-lives of isomeric levels of sup 1 sup 0 sup 7 sup m Ag, sup 1 sup 0 sup 9 sup m Ag and sup 1 sup 0 sup 3 sup m Rh photoactivated by sup 6 sup 0 Co gamma-ray irradiation

CERN Document Server

Yoshida, E; Kojima, Y; Shizuma, K

2000-01-01

Photoactivation by gamma-rays from sup 6 sup 0 Co of 10 kCi has been performed for isomers of sup 1 sup 0 sup 7 sup m Ag, sup 1 sup 0 sup 9 sup m Ag and sup 1 sup 0 sup 3 sup m Rh and half-lives of these isomers were determined. Gamma-rays emitted from sup 1 sup 0 sup 7 sup m Ag and sup 1 sup 0 sup 9 sup m Ag were measured with a low-background Ge detector and internal conversion electrons from sup 1 sup 0 sup 3 sup m Rh were measured with a 2 pi gas flow counter. The half-lives obtained are: sup 1 sup 0 sup 7 sup m Ag: 44.5+-0.8 s, sup 1 sup 0 sup 9 sup m Ag: 38.0+-1.2 s and sup 1 sup 0 sup 3 sup m Rh: 54.8+-3.8 min. The results are in agreement with previous values obtained by different excitation methods.

The description of charge transfer in fast negative ions scattering on water covered Si(100) surfaces

Energy Technology Data Exchange (ETDEWEB)

Chen, Lin; Qiu, Shunli; Liu, Pinyang; Xiong, Feifei; Lu, Jianjie; Liu, Yuefeng; Li, Guopeng; Liu, Yiran; Ren, Fei; Xiao, Yunqing; Gao, Lei; Zhao, Qiushuang; Ding, Bin; Li, Yuan [School of Nuclear Science and Technology, Lanzhou University, 730000 (China); Key Laboratory of Special Function Materials and Structure Design, Ministry of Education, Lanzhou University, 730000 (China); Guo, Yanling, E-mail: guoyanling@lzu.edu.cn [School of Nuclear Science and Technology, Lanzhou University, 730000 (China); Key Laboratory of Special Function Materials and Structure Design, Ministry of Education, Lanzhou University, 730000 (China); Chen, Ximeng, E-mail: chenxm@lzu.edu.cn [School of Nuclear Science and Technology, Lanzhou University, 730000 (China); Key Laboratory of Special Function Materials and Structure Design, Ministry of Education, Lanzhou University, 730000 (China)

2016-11-30

Highlights: • We first observe that negative-ion fractions present no variation with the doping concentration, which is very different from the results of low energy Li neutralization from doped Si samples. • Our work shows that the affinity levels and collision time significantly counteract the band gap effect on negative ion formation. The work will improve our understanding on electron transfer on semiconductor surfaces associated with doping. • In addition, we build a complete theoretical framework to quantitatively calculate the negative-ion fractions. • Our work is related to charge transfer on semiconductor surfaces, which will be of interest to a broad audience due to the wide necessity of the knowledge of charge exchange on semiconductor surfaces in different fields. - Abstract: Doping has significantly affected the characteristics and performance of semiconductor electronic devices. In this work, we study the charge transfer processes for 8.5–22.5 keV C{sup −} and F{sup −} ions scattering on H{sub 2}O-terminated p-type Si(100) surfaces with two different doping concentrations. We find that doping has no influence on negative-ion formation for fast collisions in this relatively high energy range. Moreover, we build a model to calculate negative ion fractions including the contribution from positive ions. The calculations support the nonadiabatic feature of charge transfer.

The volcanic contribution to climate change of the past 100 years

International Nuclear Information System (INIS)

Robock, A.

1990-01-01

Volcanic eruptions which inject large amounts of sulfur-rich gas into the stratosphere produce dust veils which last several years and cool the earth's surface. At the same time these dust veils absorb enough solar radiation to warm the stratosphere. Since these temperature changes at the earth's surface and in the stratosphere are both in the opposite direction to the hypothesized effects from greenhouse gases, they act to delay and mask the detection of greenhouse effects on the climate system. A large portion of the global climate change of the past 100 years may be due to the effects of volcanoes, but a definitive answer is not yet clear. While effects over several years have been demonstrated with both data studies and numerical models, long-term effects, while found in climate model calculations, await confirmation with more realistic models. In this paper chronologies of past volcanic eruptions and the evidence from data analyses and climate model calculations are reviewed

Changes of electronic properties of p-GaN(0 0 0 1) surface after low-energy N+-ion bombardment

Science.gov (United States)

Grodzicki, M.; Mazur, P.; Ciszewski, A.

2018-05-01

The p-GaN(0 0 0 1) crystal with a relatively low acceptor concentration of 5 × 1016 cm-3 is used in these studies, which are carried out in situ under ultrahigh vacuum (UHV) by ultraviolet photoelectron spectroscopy (UPS), X-ray photoelectron spectroscopy (XPS) and low-energy electron diffraction (LEED). The p-GaN(0 0 0 1)-(1 × 1) surface is achieved by thermal cleaning. N+-ion bombardment by a 200 eV ion beam changes the surface stoichiometry, enriches it with nitrogen, and disorders it. Such modified surface layer inverts its semiconducting character from p- into n-type. The electron affinity for the already cleaned p-GaN surface and that just after bombardment shows a shift from 2.2 eV to 3.2 eV, as well as an increase of band bending at the vacuum/surface interface from 1.4 eV to 2.5 eV. Proper post-bombardment heating of the sample restores the initial atomic order of the modified layer, leaving its n-type semiconducting character unchanged. The results of the measurements are discussed based on two types of surface states concepts.

Characteristics of laser irradiated Hg sub 0 ,835 Cd sub 0 ,165 Te analysed by resonant Raman spectroscopy

International Nuclear Information System (INIS)

Scepanovic, M.; Jevtic, M.

1998-01-01

The characteristics of Hg sub 0 ,835 Cd sub 0 ,165 Te sample irradiated by a nanosecond Nd: YAG laser pulse are investigated using a resonant Raman spectroscopy. The pulse energy density of 100 mJ/cm sup 2 is close to the energy threshold of material melting under the irradiated conditions. The presented Raman spectra of the unirradiated and irradiated sample parts point out that the laser irradiation induced a little concentration change in the surface sample layers without the essential structural changes (author)

Healthy minds 0-100 years

DEFF Research Database (Denmark)

Walhovd, Kristine B; Fjell, Anders M; Westerhausen, René

2018-01-01

infrastructures and initiatives, we hope to make major conceptual, methodological and analytical contributions towards large integrative cohorts and their efficient exploitation. We will thus provide novel information on BCM health maintenance, as well as the onset and course of BCM disorders. This will lay...

Spectral-converting study of La{sub 1−m−n}Er{sub m}Yb{sub n}OCl (m=0.001–0.2, n=0–0.1) phosphors

Energy Technology Data Exchange (ETDEWEB)

Park, Sangmoon, E-mail: spark@silla.ac.kr [Center for Green Fusion Technology and Department of Engineering in Energy and Applied Chemistry, Silla University, Busan 617-736 (Korea, Republic of); Cho, So-Hye [Center for Materials Architecturing, Institute of Multidisciplinary Convergence of Materials, Korea Institute of Science and Technology, Seoul 130-650 (Korea, Republic of)

2014-09-15

Optical materials composed of La{sub 1−m−n}Er{sub m}Yb{sub n}OCl (m=0.001–0.2, n=0–0.1) solid solution were prepared via a solid-state reaction using excess NH{sub 4}Cl flux at 950 °C for 30 min. X-ray diffraction patterns of La{sub 1−m}Er{sub m}OCl were compared upon altering the molar ratios of the flux to the La{sup 3+} (Er{sup 3+}, Yb{sup 3+}) ions. By means of photoluminescence spectra, the dependence of the luminescence intensity as a function of the Er{sup 3+} content and the color CIE coordinates of the Er{sup 3+}-doped layered LaOCl compounds were also investigated under excitation by near-ultraviolet (NUV) and visible light. The spectral conversion properties of Er{sup 3+} and Er{sup 3+}–Yb{sup 3+} ions doped into LaOCl phosphors were elucidated under diode-laser irradiation of 980 nm in wavelength. The desired up-conversion of the emitting light, passing throughout the green, orange, and red regions of the spectrum, was achieved by appropriate Er{sup 3+} and/or Yb{sup 3+} concentrations in the LaOCl host structure under 980-nm-excitation light, while its mechanism in the phosphors was described by an energy-level schematic. Up-conversion emission spectra and the dependence of the emission intensity on pump power in the La{sub 0.89}Er{sub 0.1}Yb{sub 0.01}OCl phosphor were investigated under diode-laser irradiation of both wavelengths, 980 and 1550 nm. - Highlights: • Flux-assisted La{sub 1−m−n}Er{sub m}Yb{sub n}OCl (m=0.001–0.2, n=0–0.1) phosphors were prepared. • Distinctive photoluminescence properties of Er{sup 3+}-doped LaOCl were investigated. • Spectral converting properties of Er{sup 3+} and Yb{sup 3+} in LaOCl phosphors were elucidated. • Up-conversion mechanisms are proposed on the basis of an energy-level diagram. • Dependence of the emission intensity on pump power in the phosphor was investigated.

Occult abnormal pregnancies after first post-embryo transfer serum beta-human chorionic gonadotropin levels of 1.0-5.0 mIU/mL.

Science.gov (United States)

Maslow, Bat-Sheva L; Bartolucci, Alison; Sueldo, Carolina; Engmann, Lawrence; Benadiva, Claudio; Nulsen, John C

2016-04-01

To assess the occult pregnancy rate after "negative" first post-embryo transfer (ET) serum β-hCG results. Two-part retrospective cohort study and nested case series. University-based fertility center. A total of 1,571 negative first post-ET serum β-hCG results were included in the study; 1,326 results (primary cohort, June 2009-December 2013) were initially reported as <5 mIU/mL and 245 results (secondary cohort, January 2014-March 2015) were reported as discrete values from 1.0 to 5.0 mIU/mL. None. Rates of occult pregnancy, ectopic pregnancy, and complications after negative first post-ET serum β-hCG results. A total of 88.8% (1,178/1,326) of the negative first post-ET results reported as <5 were actually <1.0 mIU/mL. Occult pregnancy was incidentally identified in 1.2% (12/1,041) of subjects with follow-up. Six had ectopic pregnancies, and seven experienced serious complications; 11 (91.7%) of the 12 occult pregnancies had a first post-ET serum β-hCG level of 1.0-5.0 mIU/mL and 1 (8.3%) <1.0 mIU/mL. All pregnancies with serious complications had initial β-hCG levels of 1.0-5.0 mIU/mL. Of the 245 results reported as discreet values, occult pregnancies were diagnosed in 5.5% (9/163) of subjects with follow-up. One had an ectopic pregnancy, which was treated with methotrexate. There were no serious complications in the secondary cohort. The majority of negative first post-ET serum β-hCG levels are <1.0 mIU/mL. Results from 1.0 to 5.0 mIU/mL may fail to exclude abnormal pregnancy and are associated with poor outcomes compared with β-hCG levels <1.0 mIU/mL. Serial serum β-hCG may be warranted in this population. Copyright © 2016 American Society for Reproductive Medicine. Published by Elsevier Inc. All rights reserved.

Surface nanostructuring in the carbon–silicon(100) system upon microwave plasma treatment

Energy Technology Data Exchange (ETDEWEB)

Yafarov, R. K., E-mail: pirpc@yandex.ru; Shanygin, V. Ya. [Russian Academy of Sciences, Kotel’nikov Institute of Radio Engineering and Electronics, Saratov Branch (Russian Federation)

2017-04-15

The study is concerned with the physical and chemical processes and the mechanisms of the effect of plasma preparation of a surface on the systematic features of condensation and surface phase transformations during the formation of Si–C mask domains on p-Si(100) crystals by the deposition of submonolayer C coatings in the microwave plasma of low-pressure ethanol vapors. It is shown that, at short durations of the deposition of carbon onto silicon wafers with a natural-oxide coating at a temperature of 100°C, the formation of domains is observed. The lateral dimensions of the domains lie in the range from 10–15 to 200 nm, and the heights of ridges produced by the plasma chemical etching of silicon through the mask domain coatings vary in the range from 40 to 80 nm.

ONE-DIMENSIONAL ORDERING OF IN ATOMS IN A CU(100) SURFACE

NARCIS (Netherlands)

BREEMAN, M; BARKEMA, GT; BOERMA, DO

1994-01-01

A Monte Carlo study of the ordering of In atoms embedded in the top layer of a Cu(100) surface is presented. The interaction energies between the In and Cu atoms were derived from atom-embedding calculations, with Finnis-Sinclair potentials. It was found that the interaction between In atoms in the

Interface air-mer : aspects écologiques du microneuston dans le film de surface

OpenAIRE

De Souza Lima, Yolanda

1982-01-01

The sea surface microlayer (upper 100 pm) was sampled using Harvey's rotating drum collector. Greater amounts of nutrients, particulate organic carbon and living material occurred in the surface film than in samples taken at 0,50m. Neuston displayed a greater level of absolute production, but assimilation numbers were usually lower in the films than at a depth of 0,50m. Algal phytoplankton also occurred in much higher densities in sea-surface films than in subsurface waters. Individual specie...

"Big Data Assimilation" for 30-second-update 100-m-mesh Numerical Weather Prediction

Science.gov (United States)

Miyoshi, Takemasa; Lien, Guo-Yuan; Kunii, Masaru; Ruiz, Juan; Maejima, Yasumitsu; Otsuka, Shigenori; Kondo, Keiichi; Seko, Hiromu; Satoh, Shinsuke; Ushio, Tomoo; Bessho, Kotaro; Kamide, Kazumi; Tomita, Hirofumi; Nishizawa, Seiya; Yamaura, Tsuyoshi; Ishikawa, Yutaka

2017-04-01

A typical lifetime of a single cumulonimbus is within an hour, and radar observations often show rapid changes in only a 5-minute period. For precise prediction of such rapidly-changing local severe storms, we have developed what we call a "Big Data Assimilation" (BDA) system that performs 30-second-update data assimilation cycles at 100-m grid spacing. The concept shares that of NOAA's Warn-on-Forecast (WoF), in which rapidly-updated high-resolution NWP will play a central role in issuing severe-storm warnings even only minutes in advance. The 100-m resolution and 30-second update frequency are a leap above typical recent research settings, and it was possible by the fortunate combination of Japan's most advanced supercomputing and sensing technologies: the 10-petaflops K computer and the Phased Array Weather Radar (PAWR). The X-band PAWR is capable of a dense three-dimensional volume scan at 100-m range resolution with 100 elevation angles and 300 azimuth angles, up to 60-km range within 30 seconds. The PAWR data show temporally-smooth evolution of convective rainstorms. This gives us a hope that we may assume the Gaussian error distribution in 30-second forecasts before strong nonlinear dynamics distort the error distribution for rapidly-changing convective storms. With this in mind, we apply the Local Ensemble Transform Kalman Filter (LETKF) that considers flow-dependent error covariance explicitly under the Gaussian-error assumption. The flow-dependence would be particularly important in rapidly-changing convective weather. Using a 100-member ensemble at 100-m resolution, we have tested the Big Data Assimilation system in real-world cases of sudden local rainstorms, and obtained promising results. However, the real-time application is a big challenge, and currently it takes 10 minutes for a cycle. We explore approaches to accelerating the computations, such as using single-precision arrays in the model computation and developing an efficient I/O middleware for

A multi-frequency analysis of possible dark matter contributions to M31 gamma-ray emissions

Energy Technology Data Exchange (ETDEWEB)

Beck, G.; Colafrancesco, S., E-mail: geoffrey.beck@wits.ac.za, E-mail: sergio.colafrancesco@wits.ac.za [School of Physics, University of the Witwatersrand, Private Bag 3, WITS-2050, Johannesburg (South Africa)

2017-10-01

We examine the possibility of a dark matter (DM) contribution to the recently observed gamma-ray spectrum seen in the M31 galaxy. In particular, we apply limits on Weakly Interacting Massive Particle DM annihilation cross-sections derived from the Coma galaxy cluster and the Reticulum II dwarf galaxy to determine the maximal flux contribution by DM annihilation to both the M31 gamma-ray spectrum and that of the Milky-Way Galactic Centre. We limit the energy range between 1 and 12 GeV in M31 and Galactic Centre spectra due to the limited range of former's data, as well as to encompass the high-energy gamma-ray excess observed in the latter target. In so doing, we will make use of Fermi-LAT data for all mentioned targets, as well as diffuse radio data for the Coma cluster. The multi-target strategy using both Coma and Reticulum II to derive cross-section limits, as well as multi-frequency data, ensures that our results are robust against the various uncertainties inherent in modelling of indirect DM emissions. Our results indicate that, when a Navarro-Frenk-White (or shallower) radial density profile is assumed, severe constraints can be imposed upon the fraction of the M31 and Galactic Centre spectra that can be accounted for by DM, with the best limits arising from cross-section constraints from Coma radio data and Reticulum II gamma-ray limits. These particular limits force all the studied annihilation channels to contribute 1% or less to the total integrated gamma-ray flux within both M31 and Galactic Centre targets. In contrast, considerably more, 10−100%, of the flux can be attributed to DM when a contracted Navarro-Frenk-White profile is assumed. This demonstrates how sensitive DM contributions to gamma-ray emissions are to the possibility of cored profiles in galaxies. The only channel consistently excluded for all targets and profiles (except for ∼ 10 GeV WIMPs) is the direct annihilation into photons. Finally, we discuss the ramifications of

Robust half-metallicity at the zincblende CrTe(0 0 1) surfaces and its interface with ZnTe(0 0 1)

International Nuclear Information System (INIS)

Ahmadian, F.; Abolhassani, M.R.; Hashemifar, S.J.; Elahi, M.

2010-01-01

All electron full potential calculations based on spin density functional theory are performed to study cubic zincblende (ZB) and hexagonal NiAs structures of bulk CrTe, free (0 0 1) surfaces of ZB CrTe, and interface of ZB CrTe with ZnTe(0 0 1). The ferromagnetic NiAs structure is reported to be about 0.26 eV more stable than the ferromagnetic ZB phase while ZB CrTe is found to be a half-metallic ferromagnet with a half-metallic gap of about 2.90 eV. Thermodynamic stability of CrTe(0 0 1) surfaces are studied in the framework of ab-initio thermodynamic. The obtained phase diagram evidences more stability of the Te terminated surface compared with the Cr termination. We discuss that both Te and Cr ideal terminations of CrTe(0 0 1) retain bulk-like half-metallic property but with a reduced half-metallic gap compared with bulk value. The structural, electronic, magnetic, and band alignment properties of the ZB CrTe/ZnTe(0 0 1) interface are computed and a rather large minority valence band offset of about 1.09 eV is observed in this heterojunction.

Computation of interactive effects and optimization of process parameters for alkaline lipase production by mutant strain of Pseudomonas aeruginosa using response surface methodology

Directory of Open Access Journals (Sweden)

Deepali Bisht

2013-01-01

Full Text Available Alkaline lipase production by mutant strain of Pseudomonas aeruginosa MTCC 10,055 was optimized in shake flask batch fermentation using response surface methodology. An empirical model was developed through Box-Behnken experimental design to describe the relationship among tested variables (pH, temperature, castor oil, starch and triton-X-100. The second-order quadratic model determined the optimum conditions as castor oil, 1.77 mL.L-1; starch, 15.0 g.L-1; triton-X-100, 0.93 mL.L-1; incubation temperature, 34.12 ºC and pH 8.1 resulting into maximum alkaline lipase production (3142.57 U.mL-1. The quadratic model was in satisfactory adjustment with the experimental data as evidenced by a high coefficient of determination (R² value (0.9987. The RSM facilitated the analysis and interpretation of experimental data to ascertain the optimum conditions of the variables for the process and recognized the contribution of individual variables to assess the response under optimal conditions. Hence Box-Behnken approach could fruitfully be applied for process optimization.

Computation of interactive effects and optimization of process parameters for alkaline lipase production by mutant strain of Pseudomonas aeruginosa using response surface methodology

Science.gov (United States)

Bisht, Deepali; Yadav, Santosh Kumar; Darmwal, Nandan Singh

2013-01-01

Alkaline lipase production by mutant strain of Pseudomonas aeruginosa MTCC 10,055 was optimized in shake flask batch fermentation using response surface methodology. An empirical model was developed through Box-Behnken experimental design to describe the relationship among tested variables (pH, temperature, castor oil, starch and triton-X-100). The second-order quadratic model determined the optimum conditions as castor oil, 1.77 mL.L−1; starch, 15.0 g.L−1; triton-X-100, 0.93 mL.L−1; incubation temperature, 34.12 °C and pH 8.1 resulting into maximum alkaline lipase production (3142.57 U.mL−1). The quadratic model was in satisfactory adjustment with the experimental data as evidenced by a high coefficient of determination (R2) value (0.9987). The RSM facilitated the analysis and interpretation of experimental data to ascertain the optimum conditions of the variables for the process and recognized the contribution of individual variables to assess the response under optimal conditions. Hence Box-Behnken approach could fruitfully be applied for process optimization. PMID:24159311

[Analysis of the mRNA expression of the S100β protein in adipocytes of patients with diabetes mellitus, type 2].

Science.gov (United States)

Hamasaki, Mike Yoshio; Hirata, Mario Hiroyuki; Hirata, Rosario Dominguez Crespo; Himelfarb, Silvia Tchernin; Campos, Leila Maria Guissoni; Nogueira, Maria Inês

2012-10-01

This study aims to explore the possible relationship between the expression level of S100β protein mRNA with diabetes mellitus type 2 in adipocytes from patients with this disease in comparison with normoglycemic individuals. Samples of adipose tissue of eight patients from the coronary section of the Institute Dante Pazzanese of Cardiology (IDPC), four in Group Diabetes and four of Normoglycemic group, were evaluated by RT-PCR real time. An increase around 15 times values, between the threshold cycle (ΔCt), of mRNA expression of S100β protein in adipocytes of the diabetes group was observed in comparison to the control group (p = 0.015). Our results indicate, for the first time, that there is coexistence of increased expression of the S100β and the type 2 diabetes mellitus gene.

Scale-up and large-scale production of Tetraselmis sp. CTP4 (Chlorophyta) for CO2 mitigation: from an agar plate to 100-m3 industrial photobioreactors.

Science.gov (United States)

Pereira, Hugo; Páramo, Jaime; Silva, Joana; Marques, Ana; Barros, Ana; Maurício, Dinis; Santos, Tamára; Schulze, Peter; Barros, Raúl; Gouveia, Luísa; Barreira, Luísa; Varela, João

2018-03-23

Industrial production of novel microalgal isolates is key to improving the current portfolio of available strains that are able to grow in large-scale production systems for different biotechnological applications, including carbon mitigation. In this context, Tetraselmis sp. CTP4 was successfully scaled up from an agar plate to 35- and 100-m 3 industrial scale tubular photobioreactors (PBR). Growth was performed semi-continuously for 60 days in the autumn-winter season (17 th October - 14 th December). Optimisation of tubular PBR operations showed that improved productivities were obtained at a culture velocity of 0.65-1.35 m s -1 and a pH set-point for CO 2 injection of 8.0. Highest volumetric (0.08 ± 0.01 g L -1 d -1 ) and areal (20.3 ± 3.2 g m -2 d -1 ) biomass productivities were attained in the 100-m 3 PBR compared to those of the 35-m 3 PBR (0.05 ± 0.02 g L -1 d -1 and 13.5 ± 4.3 g m -2 d -1 , respectively). Lipid contents were similar in both PBRs (9-10% of ash free dry weight). CO 2 sequestration was followed in the 100-m 3 PBR, revealing a mean CO 2 mitigation efficiency of 65% and a biomass to carbon ratio of 1.80. Tetraselmis sp. CTP4 is thus a robust candidate for industrial-scale production with promising biomass productivities and photosynthetic efficiencies up to 3.5% of total solar irradiance.

Detecting voids in a 0. 6m coal seam, 7m deep, using seismic reflection

Energy Technology Data Exchange (ETDEWEB)

Miller, R.D.; Steeples, D.W. (University of Kansas, Lawrence, KS (USA). Kansas Geological Survey)

1991-07-01

Surface collapse over abandoned subsurface coal mines is a problem in many parts of the world. High-resolution P-wave reflection seismology was successfully used to evaluate the risk of an active sinkhole to a main north-south railroad line in an undermined area of southeastern Kansas, USA. Water-filled cavities responsible for sinkholes in this area are in a 0.6 m thick coal seam, 7 m deep. Dominant reflection frequencies in excess of 200 Hz enabled reflections from the coal seam to be discerned from the direct wave, refractions, air wave, and ground roll on unprocessed field files. Repetitive void sequences within competent coal on three seismic profiles are consistent with the 'room and pillar' mining technique practiced in this area near the turn of the century. The seismic survey showed that the apparent active sinkhole was not the result of reactivated subsidence but probably the results of erosion. 14 refs., 6 figs.

The Effects of Surface Reconstruction and Electron-Positron Correlation on the Annihilation Characteristics of Positrons Trapped at Semiconductor Surfaces

International Nuclear Information System (INIS)

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

2009-01-01

Experimental positron annihilation induced Auger electron spectroscopy (PAES) data from Ge(100) and Ge(111) surfaces display several strong Auger peaks corresponding to M 4,5 N 1 N 2,3 , M 2,3 M 4,5 M 4,5 , M 2,3 M 4,5 V, and M 1 M 4,5 M 4,5 Auger transitions. The integrated peak intensities of Auger transitions have been used to obtain experimental annihilation probabilities for the Ge 3d and 3p core electrons. The experimental data were analyzed by performing theoretical studies of the effects of surface reconstructions and electron-positron correlations on image potential induced surface states and annihilation characteristics of positrons trapped at the reconstructed Ge(100) and Ge(111) surfaces. Calculations of positron surface states and annihilation characteristics have been performed for Ge(100) surface with (2x1), (2x2), and (4x2) reconstructions, and for Ge(111) surface with c(2x8) reconstruction. Estimates of the positron binding energy and annihilation characteristics reveal their sensitivity to the specific atomic structure of the topmost layers of the semiconductor and to the approximations used to describe electron-positron correlations. The results of these theoretical studies are compared with the ones obtained for the reconstructed Si(100)-(2x1) and Si(111)-(7x7) surfaces.

EXPERIMENTAL COMPARISON OF THE AEROSOL METHOD OF DISINFECTION OF AIR AND SURFACES CONTAMINATED BY M. TUBERCULOSIS

Directory of Open Access Journals (Sweden)

V. V. Kuzin

2018-01-01

Full Text Available The objective of the study: to analyze efficiency of an aerosol method of M. tuberculosis deactivation in the air and on surfaces versus the conventional methods of the disinfectants' application.Subjects and Methods. The article describes the evaluation of efficiency of the aerosol method of M. tuberculosis, H37Rv strain, deactivation on surfaces (tested objects made of linoleum and in the air using the disinfectant of Green Dez based on chlorine dioxide versus deactivation through wiping and irrigation.The efficiency of disinfectant was tested by the device of 099С А4224 manufactured by Glas-Col, USA, using the air sampler of PU-1B, Russia.The Mobile Hygienic Center (MNC, Russia, was used for application of the disinfectant, wiping and irrigation was done using the disperser of Avtomaks AO-2, Russia.The bacterial aerosol was generated in the Glass-Col chamber with the concentration 5 ± 2.5 × 102 CFU/cm3, by spraying the suspension of M. tuberculosis, H37Rv strain. After that, the disinfectant spray was supplied to the chamber, where linoleum objects were placed horizontally on a variety of surfaces. In order to evaluate efficiency of surface treatment by wiping, the test objects were wiped with a tissue, soaked with the solution of Green Dez, based on consumption of 100-150 ml/m2. In 15, 30 and 60 minutes, the samples of inactivated M. tuberculosis aerosol were collected using an aspirator, chambers with test objects were closed and placed in the vent hood. To monitor efficiency of disinfection of the test object surfaces, the rinse blanks were done by wiping the surface with a sterile gauze wad, soaked with 0.5% of sodium thiosulfate solution.The samples of deactivated aerosol and rinse blanks from the surfaces of test objects were put into Petri dishes with Middlebrook 7H11 medium. The cultures were incubated in the thermostat at the temperature of 37 ± 1° C for 10-21 days, and the number of colonies was counted.Sterile water was used

Atomistic modeling determination of placeholder binding energy of Ti, C, and N atoms on a-Fe (100) surfaces

International Nuclear Information System (INIS)

Wei, X J; Liu, Y P; Han, S P

2015-01-01

A Fe(100) surface containing Ti, C, and N was constructed and optimized to study the placeholder binding energy of the Ti, C, and N surface atoms; this was achieved by searching the transition state with the LST (linear synchronous transit) method of the CASTEP (Cambridge Serial Total Energy Package) module. Also, the authors analyzed electron structures to determine how Ti, C, and N atoms strengthen the Fe(100) surface. The results show that when Ti, C, or N atoms take placeholder alone, or simultaneously at the Fe(100) surface, the structure stability is at its best. When including Ti, C, and N as solid solutions on the Fe(100) surface, orbital electrons of Fe3d, Ti3d, C2p, and N2p hybridize near the Fermi level; the number of electronic bonding peaks increase and bonding capacity enhances. Also, a large amount of covalent bonds formed. Covalent bonds and metallic bond coexisted. (paper)

Men presenting with prostate-specific antigen (PSA) values of over 100 ng/mL.

Science.gov (United States)

Ang, Mann; Rajcic, Branimir; Foreman, Darren; Moretti, Kim; O'Callaghan, Michael E

2016-04-01

To investigate overall survival and prostate cancer-specific mortality in men with prostate cancer presenting with a PSA level PSA level extracted from the South Australian Prostate Cancer Clinical Outcomes Collaborative (SA-PCCOC) database. Men included were diagnosed between January 1998 and August 2013. Patients were divided into groups according to diagnostic PSA level: 500 ng/mL. Outcomes measured include overall survival and prostate cancer-specific mortality. Clinical stage, Gleason score and the presence of bony metastasis was evaluated to determine if they were prognostic factors in patients with PSA over 100 at diagnosis. Cox proportional hazards and competing risks regression were used to model overall survival and prostate cancer-specific mortality outcomes respectively. Of this cohort, 241 patients (4.2%) had a diagnostic PSA level >100 ng/mL. Patients with PSA >100 ng/mL have a significant reduction in five (29.1% vs 62.5% vs 87%) and ten-year (18.2% vs 36.7% vs 70.7%) overall survival when compared to men with diagnostic PSA 20-100 and PSA level at diagnosis. Overall survival was associated with PSA level, Gleason score and age. There was a linear increase in risk (overall survival) as PSA increased until 200 and no association thereafter. Models of overall survival and prostate cancer-specific mortality incorporating a risk stratification developed by Izumi et al. predicted overall survival but not prostate cancer-specific mortality. The use of this stratification did not improve model accuracy. Only a small number of men (4.2%) with prostate cancer present with PSA >100 ng/mL at diagnosis. Overall survival at five and ten years was significantly poorer in patients with PSA >100 ng/mL. In this cohort of men presenting with PSA >100 at diagnosis, PSA level was not associated with prostate cancer-specific mortality. Gleason score and metastases are significant prognostic factors in this group of men. © 2016 The Authors BJU International © 2016

Climate change impact of livestock CH4 emission in India: Global temperature change potential (GTP) and surface temperature response.

Science.gov (United States)

Kumari, Shilpi; Hiloidhari, Moonmoon; Kumari, Nisha; Naik, S N; Dahiya, R P

2018-01-01

Two climate metrics, Global surface Temperature Change Potential (GTP) and the Absolute GTP (AGTP) are used for studying the global surface temperature impact of CH 4 emission from livestock in India. The impact on global surface temperature is estimated for 20 and 100 year time frames due to CH 4 emission. The results show that the CH 4 emission from livestock, worked out to 15.3 Tg in 2012. In terms of climate metrics GTP of livestock-related CH 4 emission in India in 2012 were 1030 Tg CO 2 e (GTP 20 ) and 62 Tg CO 2 e (GTP 100 ) at the 20 and 100 year time horizon, respectively. The study also illustrates that livestock-related CH 4 emissions in India can cause a surface temperature increase of up to 0.7mK and 0.036mK over the 20 and 100 year time periods, respectively. The surface temperature response to a year of Indian livestock emission peaks at 0.9mK in the year 2021 (9 years after the time of emission). The AGTP gives important information in terms of temperature change due to annual CH 4 emissions, which is useful when comparing policies that address multiple gases. Copyright © 2017 Elsevier Inc. All rights reserved.

Electronic structure studies of a clock-reconstructed Al/Pd(1 0 0) surface alloy

Science.gov (United States)

Kirsch, Janet E.; Tainter, Craig J.

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

Kinetics and thermodynamics of aluminium dissolution in 1.0M sulphuric acid containing chloride ions

Energy Technology Data Exchange (ETDEWEB)

Abdel-Gaber, A.M. [Department of Chemistry, Faculty of Science, Alexandria University, P.O. Box 426, Ibrahimia, Alexandria 21321 (Egypt)]. E-mail: ashrafmoustafa@yahoo.com; Abd-El-Nabey, B.A. [Department of Chemistry, Faculty of Science, Alexandria University, P.O. Box 426, Ibrahimia, Alexandria 21321 (Egypt); Sidahmed, I.M. [Department of Chemistry, Faculty of Science, Alexandria University, P.O. Box 426, Ibrahimia, Alexandria 21321 (Egypt); El-Zayady, A.M. [Department of Chemistry, Faculty of Science, Alexandria University, P.O. Box 426, Ibrahimia, Alexandria 21321 (Egypt); Saadawy, M. [Department of Chemistry, Faculty of Science, Alexandria University, P.O. Box 426, Ibrahimia, Alexandria 21321 (Egypt)

2006-08-01

The dissolution of aluminium in 1M sulphuric acid solutions containing different chloride ion concentrations (0.01-0.06M) were studied at 25, 30, 35 and 40deg. C using electrochemical impedance spectroscopy (EIS) technique and polarization curves measurements. The kinetic rate equation, under the experimental condition described, was derived and found to verify the following relationship:V=k{sub obs}K{sub 2}C{sub Cl{sup -}}{sup n}1+K{sub 2}C{sub Cl{sup -}}{sup n}where V is the corrosion rate, k{sub obs} and K{sub 2} are the dissolution rate constant of aluminium oxide-chloride complex and the equilibrium constant of chloride ions adsorbed at aluminium oxide surface, respectively. The kinetic and thermodynamic energy parameters were calculated and their values indicate that chloride ions are chemisorbed onto the aluminium oxide surface and the formation of oxide-chloride complex is the rate-determining step.

Suppression of m = 0 in a RFP by toroidal field coils

International Nuclear Information System (INIS)

Alexander, D.; Robertson, S.

1993-01-01

The Reversatron RFP is normally operated with the toroidal field coils connected in series. The time-integrated voltage applied to the circuit determines the sum of the fluxes linking each turn but not the flux within each turn. Each winding may have a different flux determined by the external drive and by currents within the plasma. A parallel connection of the field coils results in the flux within each coil being determined by the volt-seconds applied to the windings; thus the toroidal flux is the same within each coil. This configuration suppresses any toroidal variation in the toroidal flux and effectively reduces the level of the m = 0 component of the radial field. The m = 0 fluctuations are expected to arise due to nonlinear coupling of the m = 1 modes. A parallel connection of field coils is impractical due to the low impedance required for driving the coils. The authors have tested the effect of parallel connected coils by adding an auxiliary set of 36 coils. These are connected in parallel but are not connected to any supply. The toroidal flux is generated by the series-connected coils which generate voltage but not current in the parallel-connected coils. With the auxiliary coils, the discharge duration is increased from 500 to 550 μsec, the plasma current is increased from 50 kA to 60 kA, F is more negative, Θ is larger, and there is less shot-to-shot variation in the discharges. The m = 0 fluctuations measured by 43 surface coils are, however, only slightly reduced

Potential energy surface, dipole moment surface and the intensity calculations for the 10 μm, 5 μm and 3 μm bands of ozone

Science.gov (United States)

Polyansky, Oleg L.; Zobov, Nikolai F.; Mizus, Irina I.; Kyuberis, Aleksandra A.; Lodi, Lorenzo; Tennyson, Jonathan

2018-05-01

Monitoring ozone concentrations in the Earth's atmosphere using spectroscopic methods is a major activity which undertaken both from the ground and from space. However there are long-running issues of consistency between measurements made at infrared (IR) and ultraviolet (UV) wavelengths. In addition, key O3 IR bands at 10 μm, 5 μm and 3 μm also yield results which differ by a few percent when used for retrievals. These problems stem from the underlying laboratory measurements of the line intensities. Here we use quantum chemical techniques, first principles electronic structure and variational nuclear-motion calculations, to address this problem. A new high-accuracy ab initio dipole moment surface (DMS) is computed. Several spectroscopically-determined potential energy surfaces (PESs) are constructed by fitting to empirical energy levels in the region below 7000 cm-1 starting from an ab initio PES. Nuclear motion calculations using these new surfaces allow the unambiguous determination of the intensities of 10 μm band transitions, and the computation of the intensities of 10 μm and 5 μm bands within their experimental error. A decrease in intensities within the 3 μm is predicted which appears consistent with atmospheric retrievals. The PES and DMS form a suitable starting point both for the computation of comprehensive ozone line lists and for future calculations of electronic transition intensities.

The spectrum of Pluto, 0.40-0.93 μm. I. Secular and longitudinal distribution of ices and complex organics

Science.gov (United States)

Lorenzi, V.; Pinilla-Alonso, N.; Licandro, J.; Cruikshank, D. P.; Grundy, W. M.; Binzel, R. P.; Emery, J. P.

2016-01-01

Context. During the past 30 years the surface of Pluto has been characterized and its variability monitored through continuous near-infrared spectroscopic observations. But in the visible range only a few data are available. Aims: The aim of this work is to define Pluto's relative reflectance in the visible range to characterize the different components of its surface, and to provide ground based observations in support of the New Horizons mission. Methods: We observed Pluto on six nights between May and July 2014 with the imager/spectrograph ACAM at the William Herschel Telescope (La Palma, Spain). The six spectra obtained cover a whole rotation of Pluto (Prot = 6.4 days). For all the spectra, we computed the spectral slope and the depth of the absorption bands of methane ice between 0.62 and 0.90 μm. To search for shifts in the center of the methane bands, which are associated with dilution of CH4 in N2, we compared the bands with reflectances of pure methane ice. Results: All the new spectra show the methane ice absorption bands between 0.62 and 0.90 μm. Computation of the depth of the band at 0.62 μm in the new spectra of Pluto and in the spectra of Makemake and Eris from the literature, allowed us to estimate the Lambert coefficient at this wavelength at temperatures of 30 K and 40 K, which has never been measured before. All the detected bands are blueshifted with respect to the position for pure methane ice, with minimum shifts correlated to the regions where the abundance of methane is higher. This could be indicative of a dilution of CH4:N2 that is more saturated in CH4. The longitudinal and secular variations in the parameters measured in the spectra are in accordance with results previously reported in the literature and with the distribution of the dark and bright materials that show the Pluto's color maps from New Horizons.

Extreme Maximum Land Surface Temperatures.

Science.gov (United States)

Garratt, J. R.

1992-09-01

There are numerous reports in the literature of observations of land surface temperatures. Some of these, almost all made in situ, reveal maximum values in the 50°-70°C range, with a few, made in desert regions, near 80°C. Consideration of a simplified form of the surface energy balance equation, utilizing likely upper values of absorbed shortwave flux (1000 W m2) and screen air temperature (55°C), that surface temperatures in the vicinity of 90°-100°C may occur for dry, darkish soils of low thermal conductivity (0.1-0.2 W m1 K1). Numerical simulations confirm this and suggest that temperature gradients in the first few centimeters of soil may reach 0.5°-1°C mm1 under these extreme conditions. The study bears upon the intrinsic interest of identifying extreme maximum temperatures and yields interesting information regarding the comfort zone of animals (including man).

Temperature suppression of STM-induced desorption of hydrogen on Si(100) surfaces

DEFF Research Database (Denmark)

Thirstrup, C.; Sakurai, M.; Nakayama, T.

1999-01-01

The temperature dependence of hydrogen (H) desorption from Si(100) H-terminated surfaces by a scanning tunneling microscope (STM) is reported for negative sample bias. It is found that the STM induced H desorption rate (R) decreases several orders of magnitude when the substrate temperature...

Modification of H2O adsorbed Si(100)-(2 x 1) surface by photon and electron beam

International Nuclear Information System (INIS)

Moon, S.W.; Chung, S.M.; Hwang, C.C.; Ihm, K.W.; Kang, T.-H.; Chen, C.H.; Park, C.-Y.

2004-01-01

Full text: Oxidation of silicon has been the subject of intense scientific and technological interest due to the several uses of thin oxide films as insulating layers in microelectronic devices. The great strides have been made in understanding about the formation and thermal evolution of the Si/SiO 2 interface. In this presentation, we provide synchrotron radiation photoemission spectroscopy (SRPES) and photoemission electron microscope (PEEM) results, showing how a H 2 O adsorbed Si(100) surface evolves into an ultra-thin silicon oxide m when exposed to monochromatized synchrotron radiation and electron beam at room temperature. All SRPES, PEEM experiments have been performed at the beam line, 4B1, of Pohang Light Source (PLS) in Korea. Water dissociates into OH(a) and H(a) species upon adsorption on the Si(100)-(2 - 1) at room temperature. The bonding (b 2 ) and antibonding (a 1 ) OH orbital and the oxygen lone pair orbital (b 1 ) from the dissociated OH and H species has been identified in ultraviolet photoemission spectra (UPS). These structures gradually changed and a new silicon oxide peak appeared with the photon/E-beam irradiation. This indicates that the H 2 O adsorbed on Si surface transforms into a thin silicon oxide film by photon/E-beam irradiation. We have shown in our PEEM images that one can make micro-patterns on silicon surface by using the photon induced surface modification. The fabricated patterns can be clearly identified through the inverse contrast images between photon exposed region and unexposed one. The near edge x-ray absorption fine structure (NEXAFS) results revealed that the OH adsorbed Si surface transforms into a thin silicon oxide film by photon irradiation

Inter-row Adsorption Configuration and Stability of Threonine Adsorbed on the Ge(100) Surfaces

International Nuclear Information System (INIS)

Lee, Myungjin; Park, Youngchan; Jeong, Hyuk; Lee, Hangil

2013-01-01

The adsorption structures of threonine on the Ge(100) surface were investigated using core-level photoemission spectroscopy (CLPES) in conjunction with density functional theory (DFT) calculations. CLPES measurements were performed to identify the experimentally preferred adsorption structure. The preferred structure indicated the relative reactivities of the carboxyl and hydroxymethyl groups as electron donors to the Ge(100) surface during adsorption. The core-level C 1s, N 1s, and O 1s CLPES spectra indicated that the carboxyl oxygen competed more strongly with the hydroxymethyl oxygen during the adsorption reaction. Three among six possible adsorption structures were identified as energetically favorable using DFT calculation methods that considered the inter- and intra-bonding configurations upon adsorption onto the Ge(100) surface. These structures were O-H dissociated N dative inter bonding, O-H dissociated N dative intra bonding, O-H dissociation bonding. One of the adsorption structures: O-H dissociated N dative inter bonding was predicted to be stable in light of the transition state energies. We thus confirmed that the most favorable adsorption structure is the O-H dissociated N dative-inter bonding structure using CLPES and DFT calculation

Lg = 100 nm In0.7Ga0.3As quantum well metal-oxide semiconductor field-effect transistors with atomic layer deposited beryllium oxide as interfacial layer

International Nuclear Information System (INIS)

Koh, D.; Kwon, H. M.; Kim, T.-W.; Veksler, D.; Gilmer, D.; Kirsch, P. D.; Kim, D.-H.; Hudnall, Todd W.; Bielawski, Christopher W.; Maszara, W.; Banerjee, S. K.

2014-01-01

In this study, we have fabricated nanometer-scale channel length quantum-well (QW) metal-oxide-semiconductor field effect transistors (MOSFETs) incorporating beryllium oxide (BeO) as an interfacial layer. BeO has high thermal stability, excellent electrical insulating characteristics, and a large band-gap, which make it an attractive candidate for use as a gate dielectric in making MOSFETs. BeO can also act as a good diffusion barrier to oxygen owing to its small atomic bonding length. In this work, we have fabricated In 0.53 Ga 0.47 As MOS capacitors with BeO and Al 2 O 3 and compared their electrical characteristics. As interface passivation layer, BeO/HfO 2 bilayer gate stack presented effective oxide thickness less 1 nm. Furthermore, we have demonstrated In 0.7 Ga 0.3 As QW MOSFETs with a BeO/HfO 2 dielectric, showing a sub-threshold slope of 100 mV/dec, and a transconductance (g m,max ) of 1.1 mS/μm, while displaying low values of gate leakage current. These results highlight the potential of atomic layer deposited BeO for use as a gate dielectric or interface passivation layer for III–V MOSFETs at the 7 nm technology node and/or beyond

Uranium (VI) chemistry at the interface solution/minerals (quartz and aluminium hydroxide): experiments and spectroscopic investigations of the uranyl surface species

International Nuclear Information System (INIS)

Froideval, A.

2004-09-01

This study deals with the understanding of the uranyl chemistry at the 0.1 M NaNO 3 solution/mineral (quartz and aluminium hydroxide) interface. The aims are:(i) to identify and to characterize the different uranyl surface species (mononuclear, polynuclear complexes and/or precipitates...), i.e. the coordination environments of sorbed/precipitated uranyl ions, by using X-ray photoelectron spectroscopy (XPS), extended X-ray absorption fine structure (EXAFS) and time-resolved laser-induced fluorescence spectroscopy (TRLFS), and;(ii) to investigate the influence of pH, initial uranyl aqueous concentration and hydroxyl ligand concentration on the uranyl surface speciation. Our study on the speciation of uranyl ions at the quartz surface (i) confirms the formation of uranyl polynuclear/oligomers on quartz from moderate (1 μmol/m 2 ) to high (26 μmol/m 2 ) uranyl surface concentrations and (ii) show that theses polynuclear species coexist with uranyl mononuclear surface species over a pH range ≅ 5-8.5 and a wide range of initial uranyl concentration o f the solutions (10-100 μM). The uranyl concentration of these surface species depends on pH and on the initial uranyl aqueous concentration. Hydrate (surface-) precipitates and/or adsorbed polynuclear species and monomeric uranyl surface complexes are formed on aluminium hydroxide. Uranyl mononuclear complexes are predominant at acidic pH, as well as uranyl in solution or on the surface. Besides mononuclear species, precipitates and/or adsorbed polynuclear species are predominantly formed at neutral pH values on aluminium hydroxide. A main contribution of our investigations is that precipitation and/or adsorption of polynuclear species seem to occur at low uranyl surface concentrations (0.01-0.4 μmol/m 2 ). The uranyl surface speciation is mainly dependent on the pH and the aluminol ligand concentration. (author)

Discussion on muon collider parameters at center of mass energies from 0.1 TeV to 100 TeV

International Nuclear Information System (INIS)

King, B.J.

1998-06-01

The main motivation for research and development efforts on muon collider technology is the assertion that affordably priced muon colliders might provide lepton-lepton collisions at much higher center of mass (CoM) energies than is feasible for electron colliders, and perhaps eventually explore the spectrum of elementary particles at mass scales inaccessible even to hadron colliders. This paper attempts to present some justification for these assertions through discussion and evaluation of the self-consistent muon collider parameter sets given in table 1 at CoM energies ranging from 0.1 to 100 TeV. The parameter set at 0.1 TeV CoM energy was included as a lower energy reference point and was constrained to essentially reproduce one of the sets of parameters currently under study by the Muon Collider Collaboration (MCC). In contrast, the other parameter sets represent speculation by the author on how the parameters might evolve with CoM energy and they have not been studied or discussed in detail within the MCC

Spontaneous deposition of Ru on Pt (100: morphological and electrochemical studies. Preliminary results of ethanol oxidation at Pt(100/Ru

Directory of Open Access Journals (Sweden)

Colle Vinicius D.

2003-01-01

Full Text Available In the present work ruthenium was deposited in submonolayer amounts on Pt(100 by spontaneous deposition at several deposition times. The Pt (100/Ru surfaces were analyzed using ex-situ STM to image the deposits characteristic of ruthenium on Pt (100. It was observed the formation of ruthenium islands with diameters between 1.0 and 4.5 nm with bi-atomic thickness in the center of the islands. A homogeneous distribution of the ruthenium islands on the platinum terraces was found, with no preferential deposition on steps or surface defect sites. The ruthenium coverage degree had been calculated by the decrease of charge of the hydrogen adsorption-desorption peaks in the cyclic voltammograms of the Pt(100/Ru electrodes. The Pt(100/Ru electrodes with a ruthenium coverage degree of ca. 0.3 showed a high activity for the ethanol electrooxidation. The electrochemical experimental results support strongly the bifunctional mechanism for the enhanced ethanol oxidation.

Final Report Melter Tests With AZ-101 HLW Simulant Using A Duramelter 100 Vitrification System VSL-01R10N0-1, Rev. 1, 2/25/02

International Nuclear Information System (INIS)

Kruger, A.A.; Matlack, K.S.; Kot, W.K.; Pegg, I.L.

2011-01-01

This report provides data, analyses, and conclusions from a series of tests that were conducted at the Vitreous State Laboratory of The Catholic of America (VSL) to determine the processing rates that are achievable with AZ-101 HLW simulants and corresponding melter feeds on a DuraMelter 100 (DM100) vitrification system. One of the most critical pieces of information in determining the required size of the RPP-WTP HLW melter is the specific glass production rate in terms of the mass of glass that can be produced per unit area of melt surface per unit time. The specific glass production rate together with the waste loading (essentially, the ratio of waste-in to glass-out, which is determined from glass formulation activities) determines the melt area that is needed to achieve a given waste processing rate with due allowance for system availability. Tests conducted during Part B1 (VSL-00R2590-2) on the DM1000 vitrification system installed at the Vitreous State Laboratory of The Catholic University of America showed that, without the use of bubblers, glass production rates with AZ-101 and C-106/AY-102 simulants were significantly lower than the Project design basis rate of 0.4 MT/m 2 /d. Conversely, three-fold increases over the design basis rate were demonstrated with the use of bubblers. Furthermore, an un-bubbled control test using a replica of the melter feed used in cold commissioning tests at West Valley reproduced the rates that were observed with that feed on the WVDP production melter. More recent tests conducted on the DM1200 system, which more closely represents the present RPP-WTP design, are in general agreement with these earlier results. Screening tests conducted on the DM10 system have provided good indications of the larger-scale processing rates with bubblers (for both HL W and LAW feeds) but significantly overestimated the DM1000 un-bubbled rate observed for C-106/AY-102 melter feeds. This behavior is believed to be a consequence of the role of

l-Proline and RNA Duplex m-Value Temperature Dependence.

Science.gov (United States)

Schwinefus, Jeffrey J; Baka, Nadia L; Modi, Kalpit; Billmeyer, Kaylyn N; Lu, Shutian; Haase, Lucas R; Menssen, Ryan J

2017-08-03

The temperature dependence of l-proline interactions with the RNA dodecamer duplex surface exposed after unfolding was quantified using thermal and isothermal titration denaturation monitored by uv-absorbance. The m-value quantifying proline interactions with the RNA duplex surface area exposed after unfolding was measured using RNA duplexes with GC content ranging between 17 and 83%. The m-values from thermal denaturation decreased with increasing GC content signifying increasingly favorable proline interactions with the exposed RNA surface area. However, m-values from isothermal titration denaturation at 25.0 °C were independent of GC content and less negative than those from thermal denaturation. The m-value from isothermal titration denaturation for a 50% GC RNA duplex decreased (became more negative) as the temperature increased and was in nearly exact agreement with the m-value from thermal denaturation. Since RNA duplex transition temperatures increased with GC content, the more favorable proline interactions with the high GC content duplex surface area observed from thermal denaturation resulted from the temperature dependence of proline interactions rather than the RNA surface chemical composition. The enthalpy contribution to the m-value was positive and small (indicating a slight increase in duplex unfolding enthalpy with proline) while the entropic contribution to the m-value was positive and increased with temperature. Our results will facilitate proline's use as a probe of solvent accessible surface area changes during biochemical reactions at different reaction temperatures.

A DFT study of ethanol adsorption and decomposition on α-Al2O3(0 0 0 1) surface

International Nuclear Information System (INIS)

Chiang, Hsin-Ni; Nachimuthu, Santhanamoorthi; Cheng, Ya-Chin; Damayanti, Nur Pradani; Jiang, Jyh-Chiang

2016-01-01

Graphical abstract: - Highlights: • Ethanol decomposition has been studied over α-Al 2 O 3 (0 0 0 1) surface. • EDD and DOS results confirm the stable adsorption of ethanol on the surface. • DFT calculations favor ethylene formation via C β −H bond scission. • The formation of acetaldehyde has higher energy barrier. - Abstract: Ethanol adsorption and decomposition on the clean α-Al 2 O 3 (0 0 0 1) surface have been systematically investigated by density functional theory calculations. The nature of the surface-ethanol bonding has studied through the density of states (DOS) and the electron density difference (EDD) contour plots. The DOS patterns confirm that the lone pair electrons of EtOH are involved in the formation of a surface Al−O dative bond and the EDD plots provide evidences for the bond weakening/forming, which are consistent with the DOS analysis. Our ethanol decomposition results indicate that ethanol dehydration to ethylene (CH 3 CH 2 OH (a) → C 2 H 4(g) + OH (a) + H (a) ), is the main reaction pathway with the energy barrier of 1.46 eV. Although the cleavage of the hydroxyl group of ethanol has lower energy barrier, the further decomposition of ethoxy owns much higher energy barrier.

Final report of AFRIMETS.M.M-S6: supplementary comparison of 100 mg, 100 g 500 g, 1 kg and 5 kg stainless steel mass standards

Science.gov (United States)

Mautjana, R. T.; Molefe, P. T.; Mayindu, N. F.; Armah, M. N.; Ramasawmy, V.; Albasini, G. L.; Matali, S.; Richmond, H.; Rusimbi, V.; Kiwanuka, J.; Mutale, D. M.; Mutsimba, F.

2018-01-01

This report summarizes the results of AFRIMETS.M.M-S6 mass standards comparison conducted between eleven participating laboratories/countries. Two sets of five weights with nominal values 100 mg, 100 g, 500 g, 1 kg and 5 kg were used as the traveling standards. These nominal values were decided from the needs of participating laboratories submitted to the pilot laboratory through a questionnaire and agreed upon by all participants. The traveling standards were hand carried between laboratories starting from February 2014 and were received from the last participants in October 2014. The programme was coordinated by National Metrology Institute of South Africa (NMISA), who provided the travelling standards and reference values for the comparison. The corrections to the BIPM as-maintained mass unit [5] have insignificant influence on the results of this comparison. Main text To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database kcdb.bipm.org/. The final report has been peer-reviewed and approved for publication by the CCM, according to the provisions of the CIPM Mutual Recognition Arrangement (CIPM MRA).

Study on the muon spectra at the depth of 570 m.w.e. underground with 100t scintillation detector

International Nuclear Information System (INIS)

Enikeev, R.I.; Zatsepin, G.T.; Korol'kova, E.V.; Kudryavtsev, V.A.; Mal'gin, A.S.; Ryazhskaya, O.G.; Khal'chugov, F.F.

1988-01-01

The experiment was carried out with 100-ton scintillation detector placed in the salt mine at the depth of 570 m.w.e. Detector measured the spectrum of energy release of electromagnetic cascades generated by muons underground. Electromagnetic and nuclear cascades were separated by the number of neutrons contained in the cascades. The measured spectrum of energy releases agrees with π- and K-meson spectrum with γ π,K =1.75±0.08 for muon energies at sea level E μ 0 > 0.7 TeV. The experimental data transformed to the vertical muon spectrum at sea level are in good agreement with the results of other works. The primary cosmic ray spectrum and the characteristics of pA-interactions up to energies of ∼ 100 TeV have not a changes which would lead to the increase of the γ π,K value higher than 1.85

Adsorption Mechanisms of NH3 on Chlorinated Si(100)-2 x 1 Surface

International Nuclear Information System (INIS)

Lee, Hee Soon; Choi, Cheol Ho

2012-01-01

The potential energy surfaces of ammonia molecule adsorptions on the symmetrically chlorinated Si(100)- 2 x 1 surface were explored with SIMOMM:MP2/6-31G(d). It was found that the initial nucleophilic attack by ammonia nitrogen to the surface Si forms a S N 2 type transition state, which eventually leads to an HCl molecular desorption. The second ammonia molecule adsorption requires much less reaction barrier, which can be rationalized by the surface cooperative effect. In general, it was shown that the surface Si-Cl bonds can be easily subjected to the substitution reactions by ammonia molecules yielding symmetric surface Si-NH 2 bonds, which can be a good initial template for subsequent surface chemical modifications. The ammonia adsorptions are in general more facile than the corresponding water adsorption, since ammonia is better nucleophile

Plasma-oxidation of Ge(100)-surfaces characterized by MIES, UPS and XPS

Energy Technology Data Exchange (ETDEWEB)

Wegewitz, Lienhard; Dahle, Sebastian; Maus-Friedrichs, Wolfgang [Institut fuer Energieforschung und Physikalische Technologien, Technische Universitaet Clausthal, Leibnizstr. 4, 38678 Clausthal-Zellerfeld (Germany); Hoefft, Oliver; Endres, Frank [Institut fuer Mechanische Verfahrenstechnik, Technische Universitaet Clausthal, Arnold-Sommerfeld-Str. 6, 38678 Clausthal-Zellerfeld (Germany); Vioel, Wolfgang [HAWK Goettingen, Fakultaet Naturwissenschaften und Technik, Von-Ossietzky-Str. 99, 37085 Goettingen (Germany)

2011-07-01

Cleaning and passivation of Germanium surfaces is of tremendous technological interest. Germanium has various applications, for example in complementary metal-oxide-semiconductor elements. It turned out to be difficult to prepare contamination free Germanium surfaces by methods of wet chemistry. Several attempts have been made preparing such surfaces by different plasma treatments. We report cleaning and passivation of Ge(100)-surfaces by dielectric barrier discharge plasma at ambient temperature in oxygen and in air studied by Metastable Induced Electron Spectroscopy (MIES) and Photoelectron Spectroscopy (UPS(He I) and XPS). The plasma treatment is carried out in a special high-vacuum chamber which operates up to ambient pressure and is directly connected to the ultra-high vacuum chamber including the analysis equipment. In summary the air plasma treatment as well as the oxygen plasma treatment result in contamination free GeO{sub 2} covered surfaces.

Evaluation of The Effects of Cutting Parameters On The Surface Roughness During The Turning of Hadfield Steel With Response Surface Methodology

Directory of Open Access Journals (Sweden)

Ergün EKİCİ

2014-12-01

Full Text Available Hadfield steel (X120Mn12 is widely used in the engineering applications due to its excellent wear resistance. In this study, the effects of the cutting parameters on the surface roughness were investigated in relation to the lathe process carried out on Hadfield steel. The experiments were conducted at a cutting speed of 80, 110, 140 m/min, feed rate of 0.2, 0.3, 0.4 mm/rev and depth of cut 0.2, 0.4, 0.6 mm, using coated carbide tools. Regarding the evaluation of the machinability of Hadfield steel, a model was formed utilizing the response surface method (RSM. For the determination of the effects of the cutting parameters on the surface roughness, the central composite design (CCD and variance analysis (ANOVA were used. By means of the model formed as a result of the experimental study, it was demonstrated that among the cutting parameters, the feed rate is the most effective parameter on the surface roughness, with a contribution ratio of 90.28%. It was determined that the surface roughness increases with increasing feed rate. With respect to the effect on the surface roughness, the feed rate was followed by the cutting speed with a contribution ratio of 3.1% and the cutting depth with a contribution ratio of 1.7%.

Global Properties of M31's Stellar Halo from the SPLASH Survey. I. Surface Brightness Profile

Science.gov (United States)

Gilbert, Karoline M.; Guhathakurta, Puragra; Beaton, Rachael L.; Bullock, James; Geha, Marla C.; Kalirai, Jason S.; Kirby, Evan N.; Majewski, Steven R.; Ostheimer, James C.; Patterson, Richard J.; Tollerud, Erik J.; Tanaka, Mikito; Chiba, Masashi

2012-11-01

We present the surface brightness profile of M31's stellar halo out to a projected radius of 175 kpc. The surface brightness estimates are based on confirmed samples of M31 red giant branch stars derived from Keck/DEIMOS spectroscopic observations. A set of empirical spectroscopic and photometric M31 membership diagnostics is used to identify and reject foreground and background contaminants. This enables us to trace the stellar halo of M31 to larger projected distances and fainter surface brightnesses than previous photometric studies. The surface brightness profile of M31's halo follows a power law with index -2.2 ± 0.2 and extends to a projected distance of at least ~175 kpc (~2/3 of M31's virial radius), with no evidence of a downward break at large radii. The best-fit elliptical isophotes have b/a = 0.94 with the major axis of the halo aligned along the minor axis of M31's disk, consistent with a prolate halo, although the data are also consistent with M31's halo having spherical symmetry. The fact that tidal debris features are kinematically cold is used to identify substructure in the spectroscopic fields out to projected radii of 90 kpc and investigate the effect of this substructure on the surface brightness profile. The scatter in the surface brightness profile is reduced when kinematically identified tidal debris features in M31 are statistically subtracted; the remaining profile indicates that a comparatively diffuse stellar component to M31's stellar halo exists to large distances. Beyond 90 kpc, kinematically cold tidal debris features cannot be identified due to small number statistics; nevertheless, the significant field-to-field variation in surface brightness beyond 90 kpc suggests that the outermost region of M31's halo is also comprised to a significant degree of stars stripped from accreted objects. The data presented herein were obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California

Variation horizontale du flux particulaire à micro- et méso-échelle dans la plaine abyssale de Californie (4 100 m de profondeur)

OpenAIRE

Crassous, Philippe; Khripounoff, Alexis

1994-01-01

Nine sediment traps were assembled in triplicate on a frame and deployed at 100 m above the bottom in the California abyssal plain (4 100 m depth) for ten days. The distances between traps were from 30 cm to 11 km. The main flux measured during this period was 167 mg m(-2) day(-1) with a minimum of 43 mg m(-2) d(-1) and a maximum of 283 mg m(-2) d(-1). This high variation of the particulate flux at the kilometric scale was also observed at a metric scale: for example, the particulate flux mea...

Effect of increased surface tension and assisted ventilation on /sup 99m/Tc-DTPA clearance

International Nuclear Information System (INIS)

Jefferies, A.L.; Kawano, T.; Mori, S.; Burger, R.

1988-01-01

Experiments were performed to determine the effects of conventional mechanical ventilation (CMV) and high-frequency oscillation (HFO) on the clearance of technetium-99m-labeled diethylenetriamine pentaacetate (/sup 99m/Tc-DTPA) from lungs with altered surface tension properties. A submicronic aerosol of /sup 99m/Tc-DTPA was insufflated into the lungs of anesthetized, tracheotomized rabbits before and 1 h after the administration of the aerosolized detergent dioctyl sodium sulfosuccinate (OT). Rabbits were ventilated by one of four methods: 1) spontaneous breathing; 2) CMV at 12 cmH2O mean airway pressure (MAP); 3) HFO at 12 cmH2O MAP; 4) HFO at 16 cmH2O MAP. Administration of OT resulted in decreased arterial PO2 (PaO2), increased lung wet-to-dry weight ratios, and abnormal lung pressure-volume relationships, compatible with increased surface tension. /sup 99m/Tc-DTPA clearance was accelerated after OT in all groups. The post-OT rate of clearance (k) was significantly faster (P less than 0.05) in the CMV at 12 cmH2O MAP [k = 7.57 +/- 0.71%/min (SE)] and HFO at 16 cmH2O MAP (k = 6.92 +/- 0.61%/min) groups than in the spontaneously breathing (k = 4.32 +/- 0.55%/min) and HFO at 12 cmH2O MAP (4.68 +/- 0.63%/min) groups. The clearance curves were biexponential in the former two groups. We conclude that pulmonary clearance of /sup 99m/Tc-DTPA is accelerated in high surface tension pulmonary edema, and this effect is enhanced by both conventional ventilation and HFO at high mean airway pressure

Structural study of SiC(0 0 0 1)3x3 surface by surface X-ray diffraction

International Nuclear Information System (INIS)

Aoyama, T.; Akimoto, K.; Ichimiya, A.; Hisada, Y.; Mukainakano, S.; Emoto, T.; Tajiri, H.; Takahashi, T.; Sugiyama, H.; Zhang, X.; Kawata, H.

2003-01-01

Surface structure of 6H-SiC(0 0 0 1)3x3 reconstruction has been studied by grazing incidence X-ray diffraction with synchrotron radiation. We compared the Patterson map obtained from experimental structure factors with calculated Patterson maps estimated from the models that had been proposed. As the result, the calculated Patterson maps of Kulakov et al.'s [Surf. Sci. 346 (1996) 49] and Starke and coworkers' models [Phys. Rev. Lett. 80 (1998) 758; Phys. Rev. B 58 (1998) 10806; Surf. Rev. Lett. 6 (1999) 1129; Appl. Surf. Sci. 162-163 (2000) 9; Phys. Rev. B 62 (2000) 10335] are relatively in good agreement with experimental one. Therefore, we conclude that there is high possibility that either Kulakov et al.'s or Starke and coworkers' models are reasonable as the actual 3x3 structure

Role of Ag-alloy in the thermal stability of Ag-based ohmic contact to GaN(0 0 0 1) surface

International Nuclear Information System (INIS)

Xiong, Zhihua; Qin, Zhenzhen; Zhao, Qian; Chen, Lanli

2015-01-01

First-principles calculations are performed to study Ag and Ag-alloy adsorption stability on GaN(0 0 0 1) surface. We find Ag only contact to GaN surface is unstable under high temperature. While Ag-alloy adsorption exhibits better adsorption stability and electronic properties than that of the Ag only contact,due to the enhanced interaction between Ag-alloy and GaN(0 0 0 1) surface. The Ag-alloy, particularly AgNi, is proposed to be used as very promising ohmic contact to GaN for practical applications

Fe and Co nanostructures embedded into the Cu(100) surface: Self-Organization and magnetic properties

Energy Technology Data Exchange (ETDEWEB)

Kolesnikov, S. V., E-mail: kolesnikov@physics.msu.ru; Klavsyuk, A. L.; Saletsky, A. M. [Moscow State University, Faculty of Physics (Russian Federation)

2015-10-15

The self-organization and magnetic properties of small iron and cobalt nanostructures embedded into the first layer of a Cu(100) surface are investigated using the self-learning kinetic Monte Carlo method and density functional theory. The similarities and differences between the Fe/Cu(100) and the Co/Cu(100) are underlined. The time evolution of magnetic properties of a copper monolayer with embedded magnetic atoms at 380 K is discussed.

Ni-doping effect of Mg(0 0 0 1) surface to use it as a hydrogen storage material

International Nuclear Information System (INIS)

Kuklin, Artem V.; Kuzubov, Alexander A.; Krasnov, Pavel O.; Lykhin, Aleksandr O.; Tikhonova, Lyudmila V.

2014-01-01

Highlights: • Magnesium surface interaction with nickel at different it location was investigated. • A possibility of nickel migration on magnesium surface was examined. • A possibility of the nickel atoms to aggregate, producing the cluster was investigated. • A step by step diagram of the cluster formation was calculated and constructed. • The final step was the investigation of a hydrogenation process on the Ni cluster. - Abstract: A detailed study of Ni-doped Mg(0 0 0 1) surface performed by PAW method and the gradient corrected density functional GGA-PBE within the framework of generalized Kohn–Sham density functional theory (DFT) is presented in this work. Structural and electronic properties of magnesium surface interaction with nickel for the purpose of such compounds use for creation of hydrogen storage matrixes were investigated here. Choice of the PBE functional was caused by the good accordance of its prediction of the cell parameters with experimental results. It was shown that Ni atoms prefer to substitute for Mg atoms. Using NEB method, the diffusion barrier was calculated, and the most probable reaction path was established. In particular, when the Ni atom dopes the magnesium surface, it can migrate to the bulk and substitute for Mg in subsurface layers. Also a possibility of nickel cluster formation on clean surface of magnesium was examined. The kinetic factors hinder the movement of the nickel atoms to each other and make problematic the formation of clusters. The studies presented here showed that the diffusion barriers of the nickel atom migration from the cluster on the surface to the bulk of magnesium are 1.179 eV and 1.211 eV for the forward and reverse reactions, respectively. Therefore an improvement of the hydrogenation properties of Ni-doped magnesium surface depends on deposition not of the individual atoms, but their clusters. Hydrogenation of Ni cluster doping the magnesium surface was investigated. Initially Kubas

Industry 4.0, M2m, Iot&S - All Equal?

Science.gov (United States)

Dobrin, Carmen

2014-11-01

Similarity between Industry 4.0, M2M, IOT&S. Advantages and disadvantages obtained using this three important methods. Decreasing costs while components are getting smaller and smaller in a world with better networking. Influence of business management applications integrated in smart factory logistic. The most important impacts in merging virtual and real production world, with the improvement of best processes having the same goal: creating value by open innovation

The DSeis Project: Drilling into Seismogenic zones of M2.0 to M5.5 earthquakes in South African gold mines

Science.gov (United States)

Yabe, Y.; Ogasawara, H.; Ito, T.; van Aswegen, G.; Durrheim, R. J.; Cichowicz, A.; Onstott, T. C.; Kieft, T. L.; Boettcher, M. S.; Wiemer, S.; Ziegler, M.; Shapiro, S. A.; Gupta, H. K.; Dight, P.

2017-12-01

The DSeis project under ICDP consists of drilling in three mines; MK, TT and C4 mines. Common scientific targets among them are the stress state and the microstructure in the seismogenic zone. In addition to these targets, specific targets in individual mines are detailed below. A M5.5 earthquake occurred beneath the MK mine on 5 August 2014. The hypocenter of this event was 5km depth from the surface. In contrast to the normal faulting of induced earthquakes in mining horizons (planned to evaluate how much is a ratio of microseismicity associated with creation of new fractures. In the C4 mine, there was the site of a previous project, in which the microseismicity monitoring and the stress measurement by the CCBO technique were carried out. A M2.8 earthquake occurred 1 year after the CCBO and its hypocenter was only 100m away from the CCBO site. Due to little mining activity in the source region, the stress state just after the M2.8 event should be preserved. We will measure the stress again. Damage zones that evolved quasi-statically were seen by the microseismicity monitoring. Drilling into these zones would provide a clue to see a difference between faults evolved dynamically and quasi-statically.

A 0.8V, 7μA, rail-to-rail input/output, constant Gm operational amplifier in standard digital 0.18μm CMOS

OpenAIRE

Citakovic, J; Nielsen, I. Riis; Nielsen, Jannik Hammel; Asbeck, P; Andreani, Pietro

2005-01-01

A two-stage amplifier, operational at 0.8V and drawing 7μA, has been integrated in a standard digital 0.18μm CMOS process. Rail-to-rail operations at the input are enabled by complementary transistor pairs with gm control. The efficient rail-to-rail output stage is biased in class AB. The measured DC gain of the amplifier is 75dB, and the unity-gain frequency is 870kHz with a 12pF, 100kΩload. Both input and output stage transistors are biased in weak inversion.

Spiral arm amplitude variations and pattern speeds in the grand design galaxies M51, M81, and M100

International Nuclear Information System (INIS)

Elmegreen, B.G.; Seiden, P.E.; Elmegreen, D.M.

1989-01-01

In the modal theory of galactic spiral structure, the amplitude of a prominent two-arm spiral pattern should oscillate slightly with galactocentric distance because of an interference between the outward and inward propagating waves. In the stellar dynamical theory, the spiral arm amplitudes should oscillate because of differential crowding near and between wave-orbit resonances. Two and three cycles of such oscillations have been found in computer-enhanced images at B and I passbands of the grand design galaxies M81 and M100, respectively, and what is probably one cycle of such an amplitude variation in M51. These three galaxies are the most symmetric and global of the two-arm spirals in the near-IR survey of Elmegreen (1981), so the occurrence of such spiral amplitude oscillations could be common among galaxies of this type. The positions of the features discussed are used to suggest possible arm pattern speeds. 23 refs

Evaluation of surface topography of zirconia ceramic after Er:YAG laser etching.