Adsorption and activity of Thermomyces lanuginosus lipase on hydrophobic and hydrophilic surfaces measured with dual polarization interferometry (DPI) and confocal microscopy.

PubMed

Sonesson, Andreas W; Callisen, Thomas H; Brismar, Hjalmar; Elofsson, Ulla M

2008-02-15

The adsorption and activity of Thermomyces lanuginosus lipase (TLL) was measured with dual polarization interferometry (DPI) and confocal microscopy at a hydrophilic and hydrophobic surface. In the adsorption isotherms, it was evident that TLL both had higher affinity for the hydrophobic surface and adsorbed to a higher adsorbed amount (1.90 mg/m(2)) compared to the hydrophilic surface (1.40-1.50mg/m(2)). The thickness of the adsorbed layer was constant (approximately 3.5 nm) on both surfaces at an adsorbed amount >1.0mg/m(2), but decreased on the hydrophilic surface at lower surface coverage, which might be explained by partially unfolding of the TLL structure. However, a linear dependence of the refractive index of the adsorbed layer on adsorbed amount of TLL on C18 surfaces indicated that the structure of TLL was similar at low and high surface coverage. The activity of adsorbed TLL was measured towards carboxyfluorescein diacetate (CFDA) in solution, which upon lipase activity formed a fluorescent product. The surface fluorescence intensity increase was measured in a confocal microscope as a function of time after lipase adsorption. It was evident that TLL was more active on the hydrophilic surface, which suggested that a larger fraction of adsorbed TLL molecules were oriented with the active site facing the solution compared to the hydrophobic surface. Moreover, most of the activity remained when the TLL surface coverage decreased. Earlier reports on TLL surface mobility on the same surfaces have found that the lateral diffusion was highest on hydrophilic surfaces and at low surface coverage of TLL. Hence, a high lateral mobility might lead to a longer exposure time of the active site towards solution, thereby increasing the activity against a water-soluble substrate.

Early stages of Cs adsorption mechanism for GaAs nanowire surface

NASA Astrophysics Data System (ADS)

Diao, Yu; Liu, Lei; Xia, Sihao; Feng, Shu

2018-03-01

In this study, the adsorption mechanism of Cs adatoms on the (100) surface of GaAs nanowire with [0001] growth direction is investigated utilizing first principles method based on density function theory. The adsorption energy, work function, atomic structure and electronic property of clean surface and Cs-covered surfaces with different coverage are discussed. Results show that when only one Cs is adsorbed on the surface, the most favorable adsorption site is BGa-As. With increasing Cs coverage, work function gradually decreases and gets its minimum at 0.75 ML, then rises slightly when Cs coverage comes to 1 ML, indicating the existence of 'Cs-kill' phenomenon. According to further analysis, Cs activation process can effectively reduce the work function due to the formation of a downward band bending region and surface dipole moment directing from Cs adatom to the surface. As Cs coverage increases, the conduction band minimum and valence band maximum both shift towards lower energy side, contributed by the orbital hybridization between Cs-5s, Cs-5p states and Ga-4p, As-4s, As-4p states near Fermi level. The theoretical calculations and analysis in this study can improve the Cs activation technology for negative electron affinity optoelectronic devices based on GaAs nanowires, and also provide a reference for the further Cs/O or Cs/NF3 activation process.

An Assessment of SeaWiFS and MODIS Ocean Coverage

NASA Technical Reports Server (NTRS)

Woodward, Robert H.; Gregg, Watson W.

1998-01-01

Ocean coverages of SeaWiFS and MODIS were assessed for three seasons by considering monthly mean values of surface winds speeds and cloud cover. Mean and maximum coverages combined SeaWiFS and MODIS by considering combined coverages for ten-degree increments of the MODIS orbital mean anomaly. From this analysis the mean and maximum combined coverages for SeaWiFS and MODIS were determined for one and four-day periods for spring, summer, and winter seasons. Loss of coverage due to Sun glint and cloud cover were identified for both the individual and combined cases. Our analyses indicate that MODIS will enhance ocean coverage for all three seasons examined. ne combined SeaWiFS/MODIS show an increase of coverage of 42.2% to 48.7% over SeaWiFS alone for the three seasons studied; the increase in maximum one day coverage ranges from 47.5% to 52.0%. The increase in four-day coverage for the combined case ranged from 31.0% to 35.8% for mean coverage and 33.1 % to 39.2% for maximum coverage. We computed meridional distributions of coverages by binning the data into five-degree latitude bands. Our analysis shows a strong seasonal dependence of coverage. In general the meridional analysis indicates that increase in coverages for SeaWiFS/MODIS over SeaWiFS alone are greatest near the solar declination.

Transmittance of transparent windows with non-absorbing cap-shaped droplets condensed on their backside

NASA Astrophysics Data System (ADS)

Zhu, Keyong; Huang, Yong; Pruvost, Jeremy; Legrand, Jack; Pilon, Laurent

2017-06-01

This study aims to quantify systematically the effect of non-absorbing cap-shaped droplets condensed on the backside of transparent windows on their directional-hemispherical transmittance and reflectance. Condensed water droplets have been blamed to reduce light transfer through windows in greenhouses, solar desalination plants, and photobioreactors. Here, the directional-hemispherical transmittance was predicted by Monte Carlo ray-tracing method. For the first time, both monodisperse and polydisperse droplets were considered, with contact angle between 0 and 180°, arranged either in an ordered hexagonal pattern or randomly distributed on the window backside with projected surface area coverage between 0 and 90%. The directional-hemispherical transmittance was found to be independent of the size and spatial distributions of the droplets. Instead, it depended on (i) the incident angle, (ii) the optical properties of the window and droplets, and on (iii) the droplet contact angle and (iv) projected surface area coverage. In fact, the directional-hemispherical transmittance decreased with increasing incident angle. Four optical regimes were identified in the normal-hemispherical transmittance. It was nearly constant for droplet contact angles either smaller than the critical angle θcr (predicted by Snell's law) for total internal reflection at the droplet/air interface or larger than 180°-θcr. However, between these critical contact angles, the normal-hemispherical transmittance decreased rapidly to reach a minimum at 90° and increased rapidly with increasing contact angles up to 180°-θcr. This was attributed to total internal reflection at the droplet/air interface which led to increasing reflectance. In addition, the normal-hemispherical transmittance increased slightly with increasing projected surface area coverage for contact angle was smaller than θcr. However, it decreased monotonously with increasing droplet projected surface area coverage for contact angle larger than θcr. These results can be used to select the material or surface coating with advantageous surface properties for applications when dropwise condensation may otherwise have a negative effect on light transmittance.

Enhanced Ge/Si(001) island areal density and self-organization due to P predeposition

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

Cho, B.; Bareno, J.; Petrov, I.

The predeposition of P, with coverages {theta}{sub P} ranging from 0 to 1 ML, on Si(001) significantly increases both the areal density and spatial self-organization of Ge islands grown by gas-source molecular beam epitaxy from hydride precursors. The Ge island density {rho}{sub Ge} initially increases with {theta}{sub P}, reaching a maximum of 1.4 x 10{sup 10} cm{sup -2} at {theta}{sub P} = 0.7 ML, a factor of four times higher than on bare Si(001) under the same deposition conditions, before decreasing at higher P coverages. The increase in {rho}{sub Ge}({theta}{sub P}) is due to a corresponding decrease in Ge adatommore » mean free paths resulting from passivation of surface dangling bonds by adsorbed pentavalent P atoms which, in addition, leads to surface roughening and, therefore, higher Ge coverages at constant Ge{sub 2}H{sub 6} dose. As {theta}{sub P} (and hence, {rho}{sub Ge}) increases, so does the degree of Ge island ordering along <100> directions due to the anisotropic strain field surrounding individual islands. Similar results are obtained for Ge island growth on P-doped Si(001) layers where strong P surface segregation provides partial monolayer coverage prior to Ge deposition.« less

Thermal desorption study of physical forces at the PTFE surface

NASA Technical Reports Server (NTRS)

Wheeler, D. R.; Pepper, S. V.

1987-01-01

Thermal desorption spectroscopy (TDS) of the polytetrafluoroethylene (PTFE) surface was successfully employed to study the possible role of physical forces in the enhancement of metal-PTFE adhesion by radiation. The thermal desorption spectra were analyzed without assumptions to yield the activation energy for desorption over a range of xenon coverage from less than 0.1 monolayer to more than 100 monolayers. For multilayer coverage, the desorption is zero-order with an activation energy equal to the sublimation energy of xenon. For submonolayer coverages, the order for desorption from the unirradiated PTFE surface is 0.73 and the activation energy for desorption is between 3.32 and 3.36 kcal/mol; less than the xenon sublimation energy. The effect of irradiation is to increase the activation energy for desorption to as high as 4 kcal/mol at low coverage.

Thermal desorption study of physical forces at the PTFE surface

NASA Technical Reports Server (NTRS)

Wheeler, D. R.; Pepper, S. V.

1985-01-01

Thermal desorption spectroscopy (TDS) of the polytetrafluoroethylene (PTFE) surface was successfully employed to study the possibile role of physical forces in the enhancement of metal-PTFE adhesion by radiation. The thermal desorption spectra were analyzed without assumptions to yield the activation energy for desorption over a range of xenon coverage from less than 0.1 monolayer to more than 100 monolayers. For multilayer coverage, the desorption is zero-order with an activation energy equal to the sublimation energy of xenon. For submonolayer coverages, the order for desorption from the unirradiated PTFE surface is 0.73 and the activation energy for desorption is between 3.32 and 3.36 kcal/mol; less than the xenon sublimation energy. The effect of irradiation is to increase the activation energy for desorption to as high as 4 kcal/mol at low coverage.

Simulation studies on structural and thermal properties of alkane thiol capped gold nanoparticles.

PubMed

Devi, J Meena

2017-06-01

The structural and thermal properties of the passivated gold nanoparticles were explored employing molecular dynamics simulation for the different surface coverage densities of the self-assembled monolayer (SAM) of alkane thiol. The structural properties of the monolayer protected gold nanoparticles such us overall shape, organization and conformation of the capping alkane thiol chains were found to be influenced by the capping density. The structural order of the thiol capped gold nanoparticles enhances with the increase in the surface coverage density. The specific heat capacity of the alkane thiol capped gold nanoparticles was found to increase linearly with the thiol coverage density. This may be attributed to the enhancement in the lattice vibrational energy. The present simulation results suggest, that the structural and thermal properties of the alkane thiol capped gold nanoparticles may be modified by the suitable selection of the SAM coverage density. Copyright © 2017 Elsevier Inc. All rights reserved.

Sharp transition from ripple patterns to a flat surface for ion beam erosion of Si with simultaneous co-deposition of iron

NASA Astrophysics Data System (ADS)

Zhang, K.; Brötzmann, M.; Hofsäss, H.

2012-09-01

We investigate pattern formation on Si by sputter erosion under simultaneous co-deposition of Fe atoms, both at off-normal incidence, as function of the Fe surface coverage. The patterns obtained for 5 keV Xe ion irradiation at 30° incidence angle are analyzed with atomic force microscopy. Rutherford backscattering spectroscopy of the local steady state Fe content of the Fe-Si surface layer allows a quantitative correlation between pattern type and Fe coverage. With increasing Fe coverage the patterns change, starting from a flat surface at low coverage (< 2×1015 Fe/cm2) over dot patterns (2-8×1015 Fe/cm2), ripples patterns (8-17×1015 Fe/cm2), pill bug structures (1.8×1016 Fe/cm2) and a rather flat surface with randomly distributed weak pits at high Fe coverage (>1.8×1016 Fe/cm2). Our results confirm the observations by Macko et al. for 2 keV Kr ion irradiation of Si with Fe co-deposition. In particular, we also find a sharp transition from pronounced ripple patterns with large amplitude (rms roughness ˜ 18 nm) to a rather flat surface (rms roughness ˜ 0.5 nm). Within this transition regime, we also observe the formation of pill bug structures, i.e. individual small hillocks with a rippled structure on an otherwise rather flat surface. The transition occurs within a very narrow regime of the steady state Fe surface coverage between 1.7 and 1.8×1016 Fe/cm2, where the composition of the mixed Fe-Si surface layer of about 10 nm thickness reaches the stoichiometry of FeSi2. Phase separation towards amorphous iron silicide is assumed as the major contribution for the pattern formation at lower Fe coverage and the sharp transition from ripple patterns to a flat surface.

Effect of Coadsorbed Water on the Photodecomposition of Acetone on TiO2(110)

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

Henderson, Michael A.

2008-06-10

The influence of coadsorbed water on the photodecomposition of acetone on TiO2 was examined using temperature programmed desorption (TPD) and the rutile TiO2(110) surface as a model photocatalyst. Of the two major influences ascribed to water in the heterogeneous photocatalysis literature (promotion via OH radical supply and inhibition due to site blocking), only the negative influence of water was observed. As long as the total water and acetone coverage was maintained well below the first layer saturation coverage (‘1 ML’), little inhibition of acetone photodecomposition was observed. However, as the total water+acetone coverage exceeded 1 ML, acetone was preferentially displacedmore » from the first layer to physisorbed states by water and the extent of acetone photodecomposition attenuated. The displacement originated from water compressing acetone into high coverage regions where increased acetone-acetone repulsions caused displacement from the first layer. The immediate product of acetone photodecomposition was adsorbed acetate, which occupies twice as many surface sites per molecule as compared to acetone. Since the acetate intermediate was more stable on the TiO2(110) surface than either water or acetone (as gauged by TPD) and since its photodecomposition rate was less than that of acetone, additional surface sites were not opened up during acetone photodecomposition for previously displaced acetone molecules to re-enter the first layer. Results in this study suggest that increased molecular-level repulsions between organic molecules brought about by increased water coverage are as influential in the inhibiting effect of water on photooxidation rates as are water-organic repulsions.« less

Competitive Protein Adsorption on Polysaccharide and Hyaluronate Modified Surfaces

PubMed Central

Ombelli, Michela; Costello, Lauren; Postle, Corinne; Anantharaman, Vinod; Meng, Qing Cheng; Composto, Russell J.; Eckmann, David M.

2011-01-01

We measured adsorption of bovine serum albumin (BSA) and fibrinogen (Fg) onto six distinct bare and dextran- and hyaluronate-modified silicon surfaces created using two dextran grafting densities and three hyaluronic acid (HA) sodium salts derived from human umbilical cord, rooster comb and streptococcus zooepidemicus. Film thickness and surface morphology depended on HA molecular weight and concentration. BSA coverage was enhanced on surfaces upon competitive adsorption of BSA:Fg mixtures. Dextranization differentially reduced protein adsorption onto surfaces based on oxidation state. Hyaluronization was demonstrated to provide the greatest resistance to protein coverage, equivalent to that of the most resistant dextranized surface. Resistance to protein adsorption was independent of the type of hyaluronic acid utilized. With changing bulk protein concentration from 20 to 40 µg ml−1 for each species, Fg coverage on silicon increased by 4×, whereas both BSA and Fg adsorption on dextran and HA were far less dependent of protein bulk concentration. PMID:21623481

Dehydration and Dehydrogenation of Ethylene Glycol on Rutile TiO2(110)

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

Li, Zhenjun; Kay, Bruce D.; Dohnalek, Zdenek

2013-08-07

The interactions of ethylene glycol (EG) with partially reduced rutile TiO2(110) surface have been studied using temperature programmed desorption (TPD). The saturation coverage on the surface Ti rows is determined to be 0.43 monolayer (ML), slightly less than one EG per two Ti sites. Most of the adsorbed ethanol (~80%) undergoes further reactions to other products. Two major channels are observed, dehydration yielding ethylene and water and dehydrogenation yielding acetaldehyde and hydrogen. Hydrogen formation is rather surprising as it has not been observed previously on TiO2(110) from simple organic molecules. The coverage dependent yields of ethylene and acetaldehyde correlate wellmore » with that of water and hydrogen, respectively. Dehydration dominates at lower EG coverages (< 0.2 ML) and plateaus as the coverage is increased to saturation. Dehydrogenation is observed primarily at higher EG coverages (>0.2 ML). Our results suggest that the observed dehydration and dehydrogenation reactions proceed via different surface intermediates.« less

Water adsorption on the Fe3O4(111) surface: dissociation and network formation.

PubMed

Zaki, Eman; Mirabella, Francesca; Ivars-Barceló, Francisco; Seifert, Jan; Carey, Spencer; Shaikhutdinov, Shamil; Freund, Hans-Joachim; Li, Xiaoke; Paier, Joachim; Sauer, Joachim

2018-06-13

We monitored adsorption of water on a well-defined Fe3O4(111) film surface at different temperatures as a function of coverage using infrared reflection-absorption spectroscopy, temperature programmed desorption, and single crystal adsorption calorimetry. Additionally, density functional theory was employed using a Fe3O4(111)-(2 × 2) slab model to generate 15 energy minimum structures for various coverages. Corresponding vibrational properties of the adsorbed water species were also computed. The results show that water molecules readily dissociate on regular surface Fetet1-O ion pairs to form "monomers", i.e., terminal Fe-OH and surface OH groups. Further water molecules adsorb on the hydroxyl covered surface non-dissociatively and form "dimers" and larger oligomers, which ultimately assemble into an ordered (2 × 2) hydrogen-bonded network structure with increasing coverage prior to the formation of a solid water film.

Surface Coverage and Metallicity of ZnO Surfaces from First-Principles Calculations

NASA Astrophysics Data System (ADS)

Zhang, Xiao; Schleife, Andre; The Schleife research Group Team

Zinc oxide (ZnO) surfaces are widely used in different applications such as catalysis, biosensing, and solar cells. These surfaces are, in many cases, chemically terminated by hydroxyl groups. In experiment, a transition of the ZnO surface electronic properties from semiconducting to metallic was reported upon increasing the hydroxyl coverage to more than approximately 80 %. The reason for this transition is not well understood yet. We report on first-principles calculations based on density functional theory for the ZnO [ 10 1 0 ] surface, taking different amounts of hydroxyl coverage into account. We calculated band structures for fully relaxed configurations and verified the existence of this transition. However, we only find the fully covered surface to be metallic. We thus explore the possibility for clustering of the surface-terminating hydroxyl groups based on total-energy calculations. We also found that the valence band maximum consists of oxygen p states from both the surface hydroxyl groups and the surface oxygen atoms of the material. The main contribution to the metallicity is found to be from the hydroxyl groups.

Research on the effect of coverage rate on the surface quality in laser direct writing process

NASA Astrophysics Data System (ADS)

Pan, Xuetao; Tu, Dawei

2017-07-01

Direct writing technique is usually used in femtosecond laser two-photon micromachining. The size of the scanning step is an important factor affecting the surface quality and machining efficiency of micro devices. According to the mechanism of two-photon polymerization, combining the distribution function of light intensity and the free radical concentration theory, we establish the mathematical model of coverage of solidification unit, then analyze the effect of coverage on the machining quality and efficiency. Using the principle of exposure equivalence, we also obtained the analytic expressions of the relationship among the surface quality characteristic parameters of microdevices and the scanning step, and carried out the numerical simulation and experiment. The results show that the scanning step has little influence on the surface quality of the line when it is much smaller than the size of the solidification unit. However, with increasing scanning step, the smoothness of line surface is reduced rapidly, and the surface quality becomes much worse.

Sharp transition from ripple patterns to a flat surface for ion beam erosion of Si with simultaneous co-deposition of iron

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

Zhang, K.; Broetzmann, M.; Hofsaess, H.

We investigate pattern formation on Si by sputter erosion under simultaneous co-deposition of Fe atoms, both at off-normal incidence, as function of the Fe surface coverage. The patterns obtained for 5 keV Xe ion irradiation at 30 Degree-Sign incidence angle are analyzed with atomic force microscopy. Rutherford backscattering spectroscopy of the local steady state Fe content of the Fe-Si surface layer allows a quantitative correlation between pattern type and Fe coverage. With increasing Fe coverage the patterns change, starting from a flat surface at low coverage (< 2 Multiplication-Sign 10{sup 15} Fe/cm{sup 2}) over dot patterns (2-8 Multiplication-Sign 10{sup 15}more » Fe/cm{sup 2}), ripples patterns (8-17 Multiplication-Sign 10{sup 15} Fe/cm{sup 2}), pill bug structures (1.8 Multiplication-Sign 10{sup 16} Fe/cm{sup 2}) and a rather flat surface with randomly distributed weak pits at high Fe coverage (>1.8 Multiplication-Sign 10{sup 16} Fe/cm{sup 2}). Our results confirm the observations by Macko et al. for 2 keV Kr ion irradiation of Si with Fe co-deposition. In particular, we also find a sharp transition from pronounced ripple patterns with large amplitude (rms roughness {approx} 18 nm) to a rather flat surface (rms roughness {approx} 0.5 nm). Within this transition regime, we also observe the formation of pill bug structures, i.e. individual small hillocks with a rippled structure on an otherwise rather flat surface. The transition occurs within a very narrow regime of the steady state Fe surface coverage between 1.7 and 1.8 Multiplication-Sign 10{sup 16} Fe/cm{sup 2}, where the composition of the mixed Fe-Si surface layer of about 10 nm thickness reaches the stoichiometry of FeSi{sub 2}. Phase separation towards amorphous iron silicide is assumed as the major contribution for the pattern formation at lower Fe coverage and the sharp transition from ripple patterns to a flat surface.« less

Structural properties of oligonucleotide monolayers on gold surfaces probed by fluorescence investigations.

PubMed

Rant, Ulrich; Arinaga, Kenji; Fujita, Shozo; Yokoyama, Naoki; Abstreiter, Gerhard; Tornow, Marc

2004-11-09

We present optical investigations on the conformation of oligonucleotide layers on Au surfaces. Our studies concentrate on the effect of varying surface coverage densities on the structural properties of layers of 12- and 24mer single-stranded DNA, tethered to the Au surface at one end while being labeled with a fluorescent marker at the opposing end. The distance-dependent energy transfer from the marker dye to the metal surface, which causes quenching of the observed fluorescence, is used to provide information on the orientation of the DNA strands relative to the surface. Variations in the oligonucleotide coverage density, as determined from electrochemical quantification, over 2 orders of magnitude are achieved by employing different preparation conditions. The observed enhancement in fluorescence intensity with increasing DNA coverage can be related to a model involving mutual steric interactions of oligonucleotides on the surface, as well as fluorescence quenching theory. Finally, the applicability of the presented concepts for investigations of heterogeneous monolayers is demonstrated by means of studying the coadsorption of mercaptohexanol onto DNA-modified Au surfaces.

Interpreting the adsorption of serum albumin and lactoglobulin onto ZnS nanopaticles: effect of conformational rigidity of the proteins.

PubMed

Saikia, Jiban; Saha, Bedabrata; Das, Gopal

2014-02-15

The work we have undertaken is to investigate the adsorption of two different proteins (BSA and BLG) having near same IEP and differing in their conformational flexibility, onto the surface of ZnS nanoparticles (ZnS NPs). BSA and BLG both have an IEP value around pH~5. BSA is more prone to conformational deformation and considered "soft" while BLG holds the conformational rigidity and considered as "hard" protein. To ascertain the differences in surface coverage and conformation of the protein onto ZnS surface (PZC ~ 3.7), we have evaluated the adsorption profile at pH 7, where the entire surface behaves negatively. An integrated approach was taken by incorporating zeta (ζ) potential, fluorescence and CD for analyzing the adsorption process. In both systems, an increase in protein surface coverage was observed with the increase in free protein concentration in the solution and ζ values approaching that of native protein at high surface coverage. An alteration in the tertiary structure was observed for both BSA and BLG. The CD spectra analysis reveals that the secondary structure of the BSA was more deviated from the native protein structure, accommodating the increased adsorption value. For BLG no such prominent structural alteration was observed. These findings help us to understand better, how adjustment of the protein adsorption amount can be achieved onto the surface of nanoparticles having like charges. Copyright © 2013 Elsevier Inc. All rights reserved.

Limiting diffusion current at rotating disk electrode with dense particle layer.

PubMed

Weroński, P; Nosek, M; Batys, P

2013-09-28

Exploiting the concept of diffusion permeability of multilayer gel membrane and porous multilayer we have derived a simple analytical equation for the limiting diffusion current at rotating disk electrode (RDE) covered by a thin layer with variable tortuosity and porosity, under the assumption of negligible convection in the porous film. The variation of limiting diffusion current with the porosity and tortuosity of the film can be described in terms of the equivalent thickness of stagnant solution layer, i.e., the average ratio of squared tortuosity to porosity. In case of monolayer of monodisperse spherical particles, the equivalent layer thickness is an algebraic function of the surface coverage. Thus, by means of cyclic voltammetry of RDE with a deposited particle monolayer we can determine the monolayer surface coverage. The effect of particle layer adsorbed on the surface of RDE increases non-linearly with surface coverage. We have tested our theoretical results experimentally by means of cyclic voltammetry measurements of limiting diffusion current at the glassy carbon RDE covered with a monolayer of 3 μm silica particles. The theoretical and experimental results are in a good agreement at the surface coverage higher than 0.7. This result suggests that convection in a monolayer of 3 μm monodisperse spherical particles is negligibly small, in the context of the coverage determination, in the range of very dense particle layers.

The role of high oxygen vacancy concentration on modification of surface properties and H2S adsorption on the rutile TiO2 (110)

NASA Astrophysics Data System (ADS)

Wei, Shiqian; Wang, Fang; Dan, Meng; Zeng, Kaiyue; Zhou, Ying

2017-11-01

In this work, spin-polarized DFT + U method has been employed to investigate adsorption properties of H2S on the rutile TiO2 (110) surface with a high coverage of bridging oxygen vacancies (BOVs). The influence of different BOV coverage (θ-BOVs) on the surface electronic structure is examined. Defected states increase within the band gap with θ-BOVs increasing from 1/8 to 4/8 monolayer (ML). The high defected surface with θ-BOVs = 4/8 ML is determined to have a desired band structure and noticeable visible light response. In addition, H2S adsorption behaviors are noticeably affected by different H2S coverage (θ-H2S). Particularly, it is found molecular adsorption at θ-H2S ≤ 1/8 ML and dissociative adsorption at the higher θ-H2S. The maximization of spontaneous dissociation of H2S can be realized when the BOVs are all covered by H2S molecules. This work gains mechanistic insights into BOVs in tuning the surface properties and provides a guide for the effective utilization of the active surface sites on the rutile TiO2 (110) in the field of H2S splitting.

Desorption of oxygen from alloyed Ag/Pt(111)

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

Jankowski, Maciej; Wormeester, Herbert, E-mail: h.wormeester@utwente.nl; Zandvliet, Harold J. W.

2014-06-21

We have investigated the interaction of oxygen with the Ag/Pt(111) surface alloy by thermal desorption spectroscopy (TDS). The surface alloy was formed during the deposition of sub-monolayer amounts of silver on Pt(111) at 800 K and subsequent cooling to 300 K. The low-temperature phase of the surface alloy is composed of nanometer-sized silver rich stripes, embedded within platinum-rich domains, which were characterized with spot profile analysis low energy electron diffraction. The TDS measurements show that oxygen adsorption is blocked on Ag sites: the saturation coverage of oxygen decreases with increasing Ag coverage. Also, the activation energy for desorption (E{sub des})more » decreases with Ag coverage. The analysis of the desorption spectra from clean Pt(111) shows a linear decay of E{sub des} with oxygen coverage, which indicates repulsive interactions between the adsorbed oxygen atoms. In contrast, adsorption on alloyed Ag/Pt(111) leads to an attractive interaction between adsorbed oxygen atoms.« less

Surface sensitization mechanism on negative electron affinity p-GaN nanowires

NASA Astrophysics Data System (ADS)

Diao, Yu; Liu, Lei; Xia, Sihao; Feng, Shu; Lu, Feifei

2018-03-01

The surface sensitization is the key to prepare negative electron affinity photocathode. The thesis emphasizes on the study of surface sensitization mechanism of p-type doping GaN nanowires utilizing first principles based on density function theory. The adsorption energy, work function, dipole moment, geometry structure, electronic structure and optical properties of Mg-doped GaN nanowires surfaces with various coverages of Cs atoms are investigated. The GaN nanowire with Mg doped in core position is taken as the sensitization base. At the initial stage of sensitization, the best adsorption site for Cs atom on GaN nanowire surface is BN, the bridge site of two adjacent N atoms. Surface sensitization generates a p-type internal surface with an n-type surface state, introducing a band bending region which can help reduce surface barrier and work function. With increasing Cs coverage, work functions decrease monotonously and the "Cs-kill" phenomenon disappears. For Cs coverage of 0.75 ML and 1 ML, the corresponding sensitization systems reach negative electron affinity state. Through surface sensitization, the absorption curves are red shifted and the absorption coefficient is cut down. All theoretical calculations can guide the design of negative electron affinity Mg doped GaN nanowires photocathode.

Microbial Community and Biochemical Dynamics of Biological Soil Crusts across a Gradient of Surface Coverage in the Central Mojave Desert.

PubMed

Mogul, Rakesh; Vaishampayan, Parag; Bashir, Mina; McKay, Chris P; Schubert, Keith; Bornaccorsi, Rosalba; Gomez, Ernesto; Tharayil, Sneha; Payton, Geoffrey; Capra, Juliana; Andaya, Jessica; Bacon, Leonard; Bargoma, Emily; Black, David; Boos, Katie; Brant, Michaela; Chabot, Michael; Chau, Danny; Cisneros, Jessica; Chu, Geoff; Curnutt, Jane; DiMizio, Jessica; Engelbrecht, Christian; Gott, Caroline; Harnoto, Raechel; Hovanesian, Ruben; Johnson, Shane; Lavergne, Britne; Martinez, Gabriel; Mans, Paul; Morales, Ernesto; Oei, Alex; Peplow, Gary; Piaget, Ryan; Ponce, Nicole; Renteria, Eduardo; Rodriguez, Veronica; Rodriguez, Joseph; Santander, Monica; Sarmiento, Khamille; Scheppelmann, Allison; Schroter, Gavin; Sexton, Devan; Stephenson, Jenin; Symer, Kristin; Russo-Tait, Tatiane; Weigel, Bill; Wilhelm, Mary B

2017-01-01

In this study, we expand upon the biogeography of biological soil crusts (BSCs) and provide molecular insights into the microbial community and biochemical dynamics along the vertical BSC column structure, and across a transect of increasing BSC surface coverage in the central Mojave Desert, CA, United States. Next generation sequencing reveals a bacterial community profile that is distinct among BSCs in the southwestern United States. Distribution of major phyla in the BSC topsoils included Cyanobacteria (33 ± 8%), Proteobacteria (26 ± 6%), and Chloroflexi (12 ± 4%), with Phormidium being the numerically dominant genus. Furthermore, BSC subsurfaces contained Proteobacteria (23 ± 5%), Actinobacteria (20 ± 5%), and Chloroflexi (18 ± 3%), with an unidentified genus from Chloroflexi (AKIW781, order) being numerically dominant. Across the transect, changes in distribution at the phylum ( p < 0.0439) and genus ( p < 0.006) levels, including multiple biochemical and geochemical trends ( p < 0.05), positively correlated with increasing BSC surface coverage. This included increases in (a) Chloroflexi abundance, (b) abundance and diversity of Cyanobacteria, (b) OTU-level diversity in the topsoil, (c) OTU-level differentiation between the topsoil and subsurface, (d) intracellular ATP abundances and catalase activities, and (e) enrichments in clay, silt, and varying elements, including S, Mn, Co, As, and Pb, in the BSC topsoils. In sum, these studies suggest that BSCs from regions of differing surface coverage represent early successional stages, which exhibit increasing bacterial diversity, metabolic activities, and capacity to restructure the soil. Further, these trends suggest that BSC successional maturation and colonization across the transect are inhibited by metals/metalloids such as B, Ca, Ti, Mn, Co, Ni, Mo, and Pb.

Microbial Community and Biochemical Dynamics of Biological Soil Crusts across a Gradient of Surface Coverage in the Central Mojave Desert

PubMed Central

Mogul, Rakesh; Vaishampayan, Parag; Bashir, Mina; McKay, Chris P.; Schubert, Keith; Bornaccorsi, Rosalba; Gomez, Ernesto; Tharayil, Sneha; Payton, Geoffrey; Capra, Juliana; Andaya, Jessica; Bacon, Leonard; Bargoma, Emily; Black, David; Boos, Katie; Brant, Michaela; Chabot, Michael; Chau, Danny; Cisneros, Jessica; Chu, Geoff; Curnutt, Jane; DiMizio, Jessica; Engelbrecht, Christian; Gott, Caroline; Harnoto, Raechel; Hovanesian, Ruben; Johnson, Shane; Lavergne, Britne; Martinez, Gabriel; Mans, Paul; Morales, Ernesto; Oei, Alex; Peplow, Gary; Piaget, Ryan; Ponce, Nicole; Renteria, Eduardo; Rodriguez, Veronica; Rodriguez, Joseph; Santander, Monica; Sarmiento, Khamille; Scheppelmann, Allison; Schroter, Gavin; Sexton, Devan; Stephenson, Jenin; Symer, Kristin; Russo-Tait, Tatiane; Weigel, Bill; Wilhelm, Mary B.

2017-01-01

In this study, we expand upon the biogeography of biological soil crusts (BSCs) and provide molecular insights into the microbial community and biochemical dynamics along the vertical BSC column structure, and across a transect of increasing BSC surface coverage in the central Mojave Desert, CA, United States. Next generation sequencing reveals a bacterial community profile that is distinct among BSCs in the southwestern United States. Distribution of major phyla in the BSC topsoils included Cyanobacteria (33 ± 8%), Proteobacteria (26 ± 6%), and Chloroflexi (12 ± 4%), with Phormidium being the numerically dominant genus. Furthermore, BSC subsurfaces contained Proteobacteria (23 ± 5%), Actinobacteria (20 ± 5%), and Chloroflexi (18 ± 3%), with an unidentified genus from Chloroflexi (AKIW781, order) being numerically dominant. Across the transect, changes in distribution at the phylum (p < 0.0439) and genus (p < 0.006) levels, including multiple biochemical and geochemical trends (p < 0.05), positively correlated with increasing BSC surface coverage. This included increases in (a) Chloroflexi abundance, (b) abundance and diversity of Cyanobacteria, (b) OTU-level diversity in the topsoil, (c) OTU-level differentiation between the topsoil and subsurface, (d) intracellular ATP abundances and catalase activities, and (e) enrichments in clay, silt, and varying elements, including S, Mn, Co, As, and Pb, in the BSC topsoils. In sum, these studies suggest that BSCs from regions of differing surface coverage represent early successional stages, which exhibit increasing bacterial diversity, metabolic activities, and capacity to restructure the soil. Further, these trends suggest that BSC successional maturation and colonization across the transect are inhibited by metals/metalloids such as B, Ca, Ti, Mn, Co, Ni, Mo, and Pb. PMID:29109701

Adsorption behavior of glycidoxypropyl-trimethoxy-silane on titanium alloy Ti-6.5Al-1Mo-1V-2Zr

NASA Astrophysics Data System (ADS)

Liu, Jian-hua; Zhan, Zhong-wei; Yu, Mei; Li, Song-mei

2013-01-01

The adsorption behavior of glycidoxypropyl-trimethoxy-silane (GTMS) on titanium alloy Ti-6.5Al-1Mo-1V-2Zr was investigated by using X-ray photoelectron spectroscopy (XPS), Tafel polarization test, and electrochemical impedance spectroscopy (EIS). From the XPS results, it was found that the silane coverage on the titanium surface generally increased with GTMS concentration, with a slight decrease at concentration of 0.1%. Based on the relationship between isoelectronic point (IEP) of titanium surface and the pH values of silane solutions, adsorption mechanisms at different concentrations were proposed. The surface coverage data of GTMS on titanium surface was also derived from electrochemical measurements. By linear fitting the coverage data, it revealed that the adsorption of GTMS on the titanium alloy surface at 30 °C was of a physisorption-based mechanism, and obeyed Langmuir adsorption isotherm. The adsorption equilibrium constant (Kads) and free energy of adsorption process (ΔGads) were calculated to elaborate the mechanism of GTMS adsorption.

Supramolecular structures of halogenated oligothiophenes on the Si(111)-√3 ×√3-Ag surface

NASA Astrophysics Data System (ADS)

Liu, R.; Fu, C.; Perepichka, D. F.; Gallagher, M. C.

2016-05-01

We have studied the adsorption of brominated tetrathienoanthracene (TBTTA) molecules onto the Si(111)-√3 × √ 3-Ag surface at room temperature. The two-dimensional √ 3 silver adlayer acts to passivate the silicon surface and provides a high-mobility template for TBTTA adsorption. Scanning tunneling microscopy (STM) images reveal that at low coverage, the molecules readily migrate to step edges and defects in the √ 3 overlayer. With increasing coverage, the molecules eventually form compact supramolecular structures. In terms of the hexagonal √ 3 lattice vectors (a√ 3 and b√ 3), the oblique unit cell of these structures can be defined by lattice vectors am = 3a√ 3 + 2b√ 3, and bm = - a√ 3 + b√ 3. The structures are quite fragile and can decompose under repeated STM imaging. This is particularly true at higher bias and suggests an electric field-induced dissociation in these instances. With increasing molecular dose, the size and stability of the structures increases. At higher coverage, the spatial extent of the supramolecular structures is often limited by defects in the underlying √ 3 layer. Our results suggest that the √ 3-Ag surface provides a relatively inert substrate for the adsorption of TBTTA molecules, and that the supramolecular structures are held together by relatively weak intermolecular forces.

Dynamics of Phenanthrenequinone on Carbon Nano-Onion Surfaces Probed by Quasielastic Neutron Scattering

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

Anjos, Daniela M; Mamontov, Eugene; Brown, Gilbert M

We used quasielastic neutron scattering (QENS) to study the dynamics of phenanthrenequinone (PQ) on the surface of onion-like carbon (OLC), or so called carbon onions, as a function of surface coverage and temperature. For both the high- and low-coverage samples, we observed two diffusion processes; a faster process and nearly an order of magnitude slower process. On the high-coverage surface, the slow diffusion process is of long-range translational character, whereas the fast diffusion process is spatially localized on the length scale of ~ 4.7 . On the low-coverage surface, both diffusion processes are spatially localized; on the same length scalemore » of ~ 4.7 for the fast diffusion and a somewhat larger length scale for the slow diffusion. Arrhenius temperature dependence is observed except for the long-range diffusion on the high-coverage surface. We attribute the fast diffusion process to the generic localized in-cage dynamics of PQ molecules, and the slow diffusion process to the long-range translational dynamics of PQ molecules, which, depending on the coverage, may be either spatially restricted, or long-range. On the low-coverage surface, uniform surface coverage is not attained, and the PQ molecules experience the effect of spatial constraints on their long-range translational dynamics. Unexpectedly, the dynamics of PQ molecules on OLC as a function of temperature and surface coverage bears qualitative resemblance to the dynamics of water molecules on oxide surfaces, including practically temperature-independent residence times for the low-coverage surface. The dynamics features that we observed may be universal across different classes of surface adsorbates.« less

Interaction of diamond (111)-(1 × 1) and (2 × 1) surfaces with OH: a first principles study.

PubMed

Stampfl, C; Derry, T E; Makau, N W

2010-12-01

The properties of hydroxyl groups on C(111)-(1 × 1) and reconstructed (2 × 1) surfaces at different sites and for various coverages are investigated using density functional theory. Out of the adsorption sites considered, i.e. face centred cubic, hexagonal close packed, on-top and bridge sites, the on-top site is the most stable for OH on the C(111)-(1 × 1) surface for all coverages. On the reconstructed (2 × 1) surface the on-top site is the preferred configuration. Adsorption of OH was not stable however at any site on the reconstructed C(111)-(2 × 1) relative to the (1 × 1) surface; thus adsorption of OH leads to the de-reconstruction of the former surface. Both the 0.5 and 1 monolayer (ML) coverages were able to lift the (2 × 1) surface reconstruction. Repulsion between the OH adsorbates on the (1 × 1) surface sets in for coverages greater than 0.5 ML. A general decrease in the work function with increasing OH coverage was observed on both the (1 × 1) and (2 × 1) surfaces relative to the values of their respective clean surfaces. Regarding the electronic structure, O 2p states on the reconstructed (2 × 1) surface are observed at around - 21, - 8.75 , - 5 and - 2.5 eV, while O 2s states are present at - 22.5 eV. On the (1 × 1) surface (for 0.33 ML in the on-top site), O 2p states occurred between - 8 and - 9 eV, - 5 and - 4 eV and at around - 2.5 eV. O 2s states are established between - 22.5 and - 21 eV. The valence band width is 21 eV, and a hybrid 2s/2p state that is characteristic of diamond is located at about 12.5 eV below the valence band minimum.

Characterization and methanol electrooxidation studies of Pt(111)/Os surfaces prepared by spontaneous deposition.

PubMed

Johnston, Christina M; Strbac, Svetlana; Lewera, Adam; Sibert, Eric; Wieckowski, Andrzej

2006-09-12

Catalytic activity of the Pt(111)/Os surface toward methanol electrooxidation was optimized by exploring a wide range of Os coverage. Various methods of surface analyses were used, including electroanalytical, STM, and XPS methods. The Pt(111) surface was decorated with nanosized Os islands by spontaneous deposition, and the Os coverage was controlled by changing the exposure time to the Os-containing electrolyte. The structure of Os deposits on Pt(111) was characterized and quantified by in situ STM and stripping voltammetry. We found that the optimal Os surface coverage of Pt(111) for methanol electrooxidation was 0.7 +/- 0.1 ML, close to 1.0 +/- 0.1 Os packing density. Apparently, the high osmium coverage Pt(111)/Os surface provides more of the necessary oxygen-containing species (e.g., Os-OH) for effective methanol electrooxidation than the Pt(111)/Os surfaces with lower Os coverage (vs e.g., Ru-OH). Supporting evidence for this conjecture comes from the CO electrooxidation data, which show that the onset potential for CO stripping is lowered from 0.53 to 0.45 V when the Os coverage is increased from 0.2 to 0.7 ML. However, the activity of Pt(111)/Os for methanol electrooxidation decreases when the Os coverage is higher than 0.7 +/- 0.1 ML, indicating that Pt sites uncovered by Os are necessary for sustaining significant methanol oxidation rates. Furthermore, osmium is inactive for methanol electrooxidation when the platinum substrate is absent: Os deposits on Au(111), a bulk Os ingot, and thick films of electrodeposited Os on Pt(111), all compare poorly to Pt(111)/Os. We conclude that a bifunctional mechanism applies to the methanol electrooxidation similarly to Pt(111)/Ru, although with fewer available Pt sites. Finally, the potential window for methanol electrooxidation on Pt(111)/Os was observed to shift positively versus Pt(111)/Ru. Because of the difference in the Os and Ru oxophilicity under electrochemical conditions, the Os deposit provides fewer oxygen-containing species, at least below 0.5 V vs RHE. Both higher coverage of Os than Ru and the higher potentials are required to provide a sufficient number of active oxygen-containing species for the effective removal of the site-blocking CO from the catalyst surface when the methanol electrooxidation process occurs.

Secondary electron emission influenced by oxidation on the aluminum surface: the roles of the chemisorbed oxygen and the oxide layer

NASA Astrophysics Data System (ADS)

Li, Jiangtao; Hoekstra, Bart; Wang, Zhen-Bin; Qiu, Jie; Pu, Yi-Kang

2018-04-01

A relationship between the apparent secondary electron yield ({γ }{{se}}) and the oxygen coverage/oxide layer thickness on an aluminum cathode is obtained in an experiment under a controlled environment. The apparent secondary electron yield ({γ }{{se}}) is deduced from the breakdown voltage between two parallel plate electrodes in a 360 mTorr argon environment using a simple Townsend breakdown model with the assumption that the variation of the apparent secondary electron yield is dominated by the variation of the argon ion induced processes. The oxygen coverage/oxide layer thickness on the aluminum cathode is measured by a semi in situ x-ray photoemission spectroscopy equipment which is directly attached to the discharge chamber. It is found that three phases exist: (1) in the monomonolayer regime, as the oxygen coverage increases from 0 to 0.3, {γ }{{se}} decreases by nearly 40 % , (2) as the oxygen coverage increases from 0.3 to 1, {γ }{{se}} keeps nearly constant, (3) as the oxide layer thickness increases from about 0.3 nm to about 1.1 nm, {γ }{{se}} increases by 150 % . We propose that, in the submonolayer regime, the chemisorbed oxygen on the aluminum surface causes the decrease of {γ }{{se}} by creating a local potential barrier, which reduces the Auger neutralization rate and the energy gained by the Auger electrons. In the multilayer regime, as the oxide layer grows in thickness, there are three proposed mechanisms which cause the increase of {γ }{{se}}: (1) the work function decreases; (2) resonance neutralization and Auger de-excitation may exist. This is served as another channel for secondary electron production; (3) the kinetic energy of Auger electrons is increased on average, leading to a higher probability for electrons to overcome the surface potential barrier.

Management of gingival recession by the use of an acellular dermal graft material: a 12-case series.

PubMed

Santos, A; Goumenos, G; Pascual, A

2005-11-01

Different soft tissue defects can be treated by a variety of surgical procedures. Most of these techniques require the palatal area as a donor site. Recently, an acellular dermal graft has become available that can substitute for palatal donor tissue. This study describes the surgical technique for gingival augmentation and root coverage and the results of 12 clinical cases. A comparison between the three most popular mucogingival procedures for root coverage is also presented. The results of the 12 patients and the 26 denuded surfaces have shown that we can obtain a mean root coverage of 74% with the acellular dermal graft. Thirteen out of the 26 denuded surfaces had complete root coverage. The average increase in keratinized tissue was 1.19 mm. It seems that the long-term results of the cases are stable. The proposed technique of root coverage with an acellular dermal graft can be a good alternative to soft tissue grafts for root coverage, and it should be part of our periodontal plastic surgery armamentarium.

Characterizing Arctic sea ice topography and atmospheric form drag using high-resolution IceBridge data

NASA Astrophysics Data System (ADS)

Petty, A.; Tsamados, M.; Kurtz, N. T.; Farrell, S. L.; Newman, T.; Harbeck, J.; Feltham, D. L.; Richter-Menge, J.

2015-12-01

Here we present a detailed analysis of Arctic sea ice topography using high resolution, three-dimensional surface elevation data from the NASA Operation IceBridge Airborne Topographic Mapper (ATM) laser altimeter. We derive novel ice topography statistics from 2009-2014 across both first-year and multiyear ice regimes - including the height, area coverage, orientation and spacing of distinct surface features. The sea ice topography exhibits strong spatial variability, including increased surface feature (e.g. pressure ridge) height and area coverage within the multi-year ice regions. The ice topography also shows a strong coastal dependency, with the feature height and area coverage increasing as a function of proximity to the nearest coastline, especially north of Greenland and the Canadian Archipelago. The ice topography data have also been used to explicitly calculate atmospheric drag coefficients over Arctic sea ice; utilizing existing relationships regarding ridge geometry and their impact on form drag. The results are being used to calibrate the recent drag parameterization scheme included in the sea ice model CICE.

The effect of sputter temperature on vacancy island behavior on Ni(111) measured by photoemission of adsorbed xenon

NASA Astrophysics Data System (ADS)

Malafsky, Geoffrey P.

1994-04-01

The temperature dependence of vacancy coalescence on an ion bombarded Ni(111) surface is measured by photoemission of adsorbed xenon (PAX). The Ni(111) crystal is sputtered by a low fluence (0.06 ML incident ions) Ar + ion beam with incident kinetic energies of 500-3000 eV. The Xe coverage decreases rapidly with increasing temperature between 88 and 375 K with little additional change from 375 to 775 K. The PAX spectra are acquired with a Xe chamber pressure of 8 × 10 -10 Torr and at a temperature of 88 K. Under these conditions, the Xe is selectively adsorbed at defect sites which would make the Xe coverage proportional to the surface defect density on simple defect structures but the large size of the Xe atom relative to the Ni atom prevents the direct relationship of Xe coverage to the defect density when complex and varying defect structures are present. The decrease in Xe coverage is not attributed to the loss of defect sites by adatom-vacancy recombination but the changing vacancy island shape and size with temperature which alters the ratio of adsorbed Xe atoms to surface vacancy sites. This ratio decreases with increasing temperature as the vacancy islands progress from small and irregularly shaped islands to larger and hexagonally shaped islands. This transition is seen in Monte Carlo simulations of the kinetically driven atomic diffusion on the sputtered surface.

Adsorption and dissociation of H2O on the (001) surface of uranium mononitride: energetics and mechanism from first-principles investigation.

PubMed

Bo, Tao; Lan, Jian-Hui; Zhang, Yu-Juan; Zhao, Yao-Lin; He, Chao-Hui; Chai, Zhi-Fang; Shi, Wei-Qun

2016-05-21

The interfacial interaction of uranium mononitride (UN) with water from the environment unavoidably leads to corrosion of nuclear fuels, which affects a lot of processes in the nuclear fuel cycle. In this work, the microscopic adsorption behaviors of water on the UN(001) surface as well as water dissociation and accompanying H2 formation mechanisms have been investigated on the basis of DFT+U calculations and ab initio atomistic thermodynamics. For adsorption of one H2O monomer, the predicted adsorption energies are -0.88, -2.07, and -2.07 eV for the most stable molecular, partially dissociative, and completely dissociative adsorption, respectively. According to our calculations, a water molecule dissociates into OH and H species via three pathways with small energy barriers of 0.78, 0.72, and 0.85 eV, respectively. With the aid of the neighboring H atom, H2 formation through the reaction of H* + OH* can easily occur via two pathways with energy barriers of 0.61 and 0.36 eV, respectively. The molecular adsorption of water shows a slight coverage dependence on the surface while this dependence becomes obvious for partially dissociative adsorption as the water coverage increases from 1/4 to 1 ML. In addition, based on the "ab initio atomistic thermodynamic" simulations, increasing H2O partial pressure will enhance the stability of the adsorbed system and water coverage, while increasing temperature will decrease the H2O coverage. We found that the UN(001) surface reacts easily with H2O at room temperature, leading to dissolution and corrosion of the UN fuel materials.

Scanning force microscopy and fluorescence microscopy of microcontact printed antibodies and antibody fragments.

PubMed

LaGraff, John R; Chu-LaGraff, Quynh

2006-05-09

Unlabeled primary immunoglobulin G (IgG) antibodies and its F(ab')2 and Fc fragments were attached to oxygen-plasma-cleaned glass substrates using either microcontact printing (MCP) or physical adsorption during bath application from dilute solutions. Fluorescently labeled secondary IgGs were then bound to surface-immobilized IgG, and the relative surface coverage was determined by measuring the fluorescence intensity. Results indicated that the surface coverage of IgG increased with increasing protein solution concentration for both MCP and bath-applied IgG and that a greater concentration of IgG was transferred to a glass substrate using MCP than during physisorption during bath applications. Scanning force microscopy (SFM) showed that patterned MCP IgG monolayers were 5 nm in height, indicating that IgG molecules lie flat on the substrate. After incubation with a secondary IgG, the overall line thickness increased to around 15 nm, indicating that the secondary IgG was in a more vertical orientation with respect to the substrate. The surface roughness of these MCP patterned IgG bilayers as measured by SFM was observed to increase with increasing surface coverage. Physisorption of IgG to both unmodified patterned polydimethylsiloxane (PDMS) stamps and plasma-cleaned glass substrates was modeled by Langmuir adsorption kinetics yielding IgG binding constants of K(MCP) = 1.7(2) x 10(7) M(-1) and K(bath) = 7.8(7) x 10(5) M(-1), respectively. MCP experiments involving primary F(ab')2 and Fc fragments incubated in fluorescently labeled fragment-specific secondary IgGs were carried out to test for the function and orientation of IgG. Finally, possible origins of MCP stamping defects such as pits, pull outs, droplets, and reverse protein transfer are discussed.

An operando Raman study of molecular structure and reactivity of molybdenum(VI) oxide supported on anatase for the oxidative dehydrogenation of ethane.

PubMed

Tsilomelekis, George; Boghosian, Soghomon

2012-02-21

Supported molybdenum oxide catalysts on TiO(2) (anatase) with surface densities in the range of 1.8-17.0 Mo per nm(2) were studied at temperatures of 410-480 °C for unraveling the configuration and molecular structure of the deposited (MoO(x))(n) species and examining their behavior for the ethane oxidative dehydrogenation (ODH). In situ Raman and in situ FTIR spectra under oxidizing conditions combined with (18)O/(16)O isotope exchange studies provide the first sound evidence for mono-oxo configuration for the deposited (MoO(x))(n) species on anatase. Isolated O=Mo(-O-)(3) tetra-coordinated species in C(3v)-like symmetry prevail at all surface coverages with a low presence of associated (polymeric) species (probably penta-coordinated) evidenced at high coverages, below the approximate monolayer of 6 Mo per nm(2). A mechanistic scenario for (18)O/(16)O isotope exchange and next-nearest-neighbor vibrational isotope effect is proposed at the molecular level to account for the pertinent spectral observations. Catalytic measurements for ethane ODH with simultaneous monitoring of operando Raman spectra were performed. The selectivity to ethylene increases with increasing surface density up to the monolayer coverage, where primary steps of ethane activation follow selective reaction pathways leading to ∼100% C(2)H(4) selectivity. The operando Raman spectra and a quantitative exploitation of the relative normalized Mo=O band intensities for surface densities of 1.8-5.9 Mo per nm(2) and various residence times show that the terminal Mo=O sites are involved in non-selective reaction turnovers. Reaction routes follow primarily non-selective pathways at low coverage and selective pathways at high coverage. Trends in the initial rates of ethane consumption (apparent reactivity per Mo) as a function of Mo surface density are discussed on the basis of several factors.

Multiple Emission Angle Surface-Atmosphere Separations of MGS Thermal Emission Spectrometer Data

NASA Technical Reports Server (NTRS)

Bandfield, J. L.; Smith, M. D.

2001-01-01

Multiple emission angle observations taken by MGS-TES have been used to derive atmospheric opacities and surface temperatures and emissivities with increased accuracy and wavelength coverage. Martian high albedo region surface spectra have now been isolated. Additional information is contained in the original extended abstract.

Effect of the size of silver nanoparticles on SERS signal enhancement

NASA Astrophysics Data System (ADS)

He, Rui Xiu; Liang, Robert; Peng, Peng; Norman Zhou, Y.

2017-08-01

The localized surface plasmon resonance arising from plasmonic materials is beneficial in solution-based and thin-film sensing applications, which increase the sensitivity of the analyte being tested. Silver nanoparticles from 35 to 65 nm in diameter were synthesized using a low-temperature method and deposited in a monolayer on a (3-aminopropyl)triethoxysilane (APTES)-functionalized glass slide. The effect of particle size on monolayer structure, optical behavior, and surface-enhanced Raman scattering (SERS) is studied. While increasing particle size decreases particle coverage, it also changes the localized surface plasmon resonance and thus the SERS activity of individual nanoparticles. Using a laser excitation wavelength of 633 nm, the stronger localized surface plasmon resonance coupling to this excitation wavelength at larger particle sizes trumps the loss in surface coverage, and greater SERS signals are observed. The SERS signal enhancement accounts for the higher SERS signal, which was verified using a finite element model of a silver nanoparticle dimer with various nanoparticle sizes and separation distances.

Study of the Relationship between Boundary Slip and Nanobubbles on a Smooth Hydrophobic Surface.

PubMed

Li, Dayong; Jing, Dalei; Pan, Yunlu; Bhushan, Bharat; Zhao, Xuezeng

2016-11-01

Surface nanobubbles, which are nanoscopic or microscopic gaseous domains forming at the solid/liquid interface, have a strong impact on the interface by changing the two-phase contact to a three-phase contact. Therefore, they are believed to affect the boundary condition and liquid flow. However, there are still disputes in the theoretical studies as to whether the nanobubbles can increase the slip length effectively. Furthermore, there are still no direct experimental studies to support either side. Therefore, an intensive study on the effective slip length for flows over bare surfaces with nanobubbles is essential for establishing the relation between nanobubbles and slip length. Here, we study the effect of nanobubbles on the slippage experimentally and theoretically. Our experimental results reveal an increase from 8 to 512 nm in slip length by increasing the surface coverage of nanobubbles from 1.7 to 50.8% and by decreasing the contact angle of nanobubbles from 42.8 to 16.6°. This is in good agreement with theoretical results. Our results indicate that nanobubbles could always act as a lubricant and significantly increase the slip length. The surface coverage, height, and contact angle are key factors for nanobubbles to reduce wall friction.

Study of the Vibrational Modes of Subsurface Oxygen on Al (111) Using Diode Laser Infrared Reflection-Absorption Spectroscopy.

DTIC Science & Technology

1987-10-15

apparent shift of this band to higher energy with increasing coverage, observed at lower resolution (but higher sensitivity) in electron energy loss...apparent shift of this band to higher energy with increasing coverage, observed at lower resolution (but higher sen- sitivity) in electron energy ...11 using high-resolution electron energy -loss spectroscopy (EELS), is especially intriguing. 02 dissociates on this surface to populate two types of

Structure and dynamics of water near the interface with oligo(ethylene oxide) self-assembled monolayers

NASA Astrophysics Data System (ADS)

Ismail, Ahmed E.; Grest, Gary S.; Stevens, Mark J.

2007-03-01

Oligo(ethylene oxide) self-assembled monolayers (OEO SAM's) deposited on Au are the prototypical materials used to study protein resistance. Recently, protein resistance has been shown to vary as a function of surface coverage and to be maximal at about two-thirds coverage, not complete coverage. We use molecular dynamics simulations to study the nature of the interface between water and the OEO SAM for a range of SAM coverages. As SAM coverage decreases, the amount of water within the OEO monolayer increases monotonically; however, the penetration depth of the water shows a maximum near the experimentally-found maximal coverage. As the water content increases, the SAM-water mixture becomes harder to distinguish from bulk water. Since the oxygen atoms of OEO are hydrogen bond acceptors, a hydrogen bond network forms within the SAM-water mixture. The water molecules diffuse freely within the monolayer and exchange with the bulk water. Because the monolayer becomes increasingly like bulk water as the coverage decreases, proteins stay in their bulk soluble conformation and do not adsorb. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract No. DE-AC04-94AL85000.

Status of silicon solar cell technology

NASA Technical Reports Server (NTRS)

Brandhorst, H. W., Jr.

1976-01-01

Major progress in solar cell technology leading to increased efficiency has occurred since 1970. Technical approaches leading to this increased output include surface texturing, improved antireflection coatings, reduced grid pattern area coverage, shallow junctions and back surface fields. The status of these developments and their incorporation into cell production is discussed. Future research and technology trends leading to further efficiency increases and substantial cost reductions are described.

Phosphonic Acids on an Atomically Defined Oxide Surface: The Binding Motif Changes with Surface Coverage.

PubMed

Schuschke, Christian; Schwarz, Matthias; Hohner, Chantal; Silva, Thais N; Fromm, Lukas; Döpper, Tibor; Görling, Andreas; Libuda, Jörg

2018-04-19

We have studied the anchoring mechanism of a phosphonic acid on an atomically defined oxide surface. Using time-resolved infrared reflection absorption spectroscopy, we investigated the reaction of deuterated phenylphosphonic acid (DPPA, C 6 H 5 PO 3 D 2 ) with an atomically defined Co 3 O 4 (111) surface in situ during film growth by physical vapor deposition. We show that the binding motif of the phosphonate anchor group changes as a function of coverage. At low coverage, DPPA binds in the form of a chelating tridentate phosphonate, while a transition to a chelating bidentate occurs close to monolayer saturation coverage. However, the coverage-dependent change in the binding motif is not associated with a major change of the molecular orientation, suggesting that the rigid phosphonate linker always maintains the DPPA in a strongly tilted orientation irrespective of the surface coverage.

Molecular layer deposition of APTES on silicon nanowire biosensors: Surface characterization, stability and pH response

NASA Astrophysics Data System (ADS)

Liang, Yuchen; Huang, Jie; Zang, Pengyuan; Kim, Jiyoung; Hu, Walter

2014-12-01

We report the use of molecular layer deposition (MLD) for depositing 3-aminopropyltriethoxysilane (APTES) on a silicon dioxide surface. The APTES monolayer was characterized using spectroscopic ellipsometry, contact angle goniometry, and atomic force microscopy. Effects of reaction time of repeating pulses and simultaneous feeding of water vapor with APTES were tested. The results indicate that the synergistic effects of water vapor and reaction time are significant for the formation of a stable monolayer. Additionally, increasing the number of repeating pulses improved the APTES surface coverage but led to saturation after 10 pulses. In comparing MLD with solution-phase deposition, the APTES surface coverage and the surface quality were nearly equivalent. The hydrolytic stability of the resulting films was also studied. The results confirmed that the hydrolysis process was necessary for MLD to obtain stable surface chemistry. Furthermore, we compared the pH sensing results of Si nanowire field effect transistors (Si NWFETs) modified by both the MLD and solution methods. The highly repeatable pH sensing results reflected the stability of APTES monolayers. The results also showed an improved pH response of the sensor prepared by MLD compared to the one prepared by the solution treatment, which indicated higher surface coverage of APTES.

Solution processed deposition of electron transport layers on perovskite crystal surface-A modeling based study

NASA Astrophysics Data System (ADS)

Mortuza, S. M.; Taufique, M. F. N.; Banerjee, Soumik

2017-02-01

The power conversion efficiency (PCE) of planar perovskite solar cells (PSCs) has reached up to ∼20%. However, structural and chemicals defects that lead to hysteresis in the perovskite based thin film pose challenges. Recent work has shown that thin films of [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) deposited on the photo absorption layer, using solution processing techniques, minimize surface pin holes and defects thereby increasing the PCE. We developed and employed a multiscale model based on molecular dynamics (MD) and kinetic Monte Carlo (kMC) to establish a relationship between deposition rate and surface coverage on perovskite surface. The MD simulations of PCBMs dispersed in chlorobenzene, sandwiched between (110) perovskite substrates, indicate that PCBMs are deposited through anchoring of the oxygen atom of carbonyl group to the exposed lead (Pb) atom of (110) perovskite surface. Based on rates of distinct deposition events calculated from MD, kMC simulations were run to determine surface coverage at much larger time and length scales than accessible by MD alone. Based on the model, a generic relationship is established between deposition rate of PCBMs and surface coverage on perovskite crystal. The study also provides detailed insights into the morphology of the deposited film.

Open-source algorithm for detecting sea ice surface features in high-resolution optical imagery

NASA Astrophysics Data System (ADS)

Wright, Nicholas C.; Polashenski, Chris M.

2018-04-01

Snow, ice, and melt ponds cover the surface of the Arctic Ocean in fractions that change throughout the seasons. These surfaces control albedo and exert tremendous influence over the energy balance in the Arctic. Increasingly available meter- to decimeter-scale resolution optical imagery captures the evolution of the ice and ocean surface state visually, but methods for quantifying coverage of key surface types from raw imagery are not yet well established. Here we present an open-source system designed to provide a standardized, automated, and reproducible technique for processing optical imagery of sea ice. The method classifies surface coverage into three main categories: snow and bare ice, melt ponds and submerged ice, and open water. The method is demonstrated on imagery from four sensor platforms and on imagery spanning from spring thaw to fall freeze-up. Tests show the classification accuracy of this method typically exceeds 96 %. To facilitate scientific use, we evaluate the minimum observation area required for reporting a representative sample of surface coverage. We provide an open-source distribution of this algorithm and associated training datasets and suggest the community consider this a step towards standardizing optical sea ice imagery processing. We hope to encourage future collaborative efforts to improve the code base and to analyze large datasets of optical sea ice imagery.

Vortex-generating coolant-flow-passage design for increased film-cooling effectiveness and surface coverage

NASA Astrophysics Data System (ADS)

Papell, S. S.

1984-11-01

The thermal film-cooling footprints observed by infrared imagery for three coolant-passage configurations embedded in adiabatic-test plates are discussed. The configurations included a standard round-hole cross section and two orientations of a vortex-generating flow passage. Both orientations showed up to factors of four increases in both film-cooling effectiveness and surface coverage over that obtained with the round coolant passage. The crossflow data covered a range of tunnel velocities from 15.5 to 45 m/sec with blowing rates from 0.20 to 2.05. A photographic streakline flow visualization technique supported the concept of the counterrotating apability of the flow passage design and gave visual credence to its role in inhibiting flow separation.

Vortex-generating coolant-flow-passage design for increased film-cooling effectiveness and surface coverage

NASA Technical Reports Server (NTRS)

Papell, S. S.

1984-01-01

The thermal film-cooling footprints observed by infrared imagery for three coolant-passage configurations embedded in adiabatic-test plates are discussed. The configurations included a standard round-hole cross section and two orientations of a vortex-generating flow passage. Both orientations showed up to factors of four increases in both film-cooling effectiveness and surface coverage over that obtained with the round coolant passage. The crossflow data covered a range of tunnel velocities from 15.5 to 45 m/sec with blowing rates from 0.20 to 2.05. A photographic streakline flow visualization technique supported the concept of the counterrotating apability of the flow passage design and gave visual credence to its role in inhibiting flow separation.

Electrochemical properties of seamless three-dimensional carbon nanotubes-grown graphene modified with horseradish peroxidase.

PubMed

Komori, Kikuo; Terse-Thakoor, Trupti; Mulchandani, Ashok

2016-10-01

Horseradish peroxidase (HRP) was immobilized through sodium dodecyl sulfate (SDS) on the surface of a seamless three-dimensional hybrid of carbon nanotubes grown at the graphene surface (HRP-SDS/CNTs/G) and its electrochemical properties were investigated. Compared with graphene alone electrode modified with HRP via SDS (HRP-SDS/G electrode), the surface coverage of electroactive HRP at the CNTs/G electrode surface was approximately 2-fold greater because of CNTs grown at the graphene surface. Based on the increase in the surface coverage of electroactive HRP, the sensitivity to H2O2 at the HRP-SDS/CNTs/G electrode was higher than that at the HRP-SDS/G electrode. The kinetics of the direct electron transfer from the CNTs/G electrode to compound I and II of modified HRP was also analyzed. Copyright © 2016 Elsevier B.V. All rights reserved.

Dithiothreitol-Regulated Coverage of Oligonucleotide-Modified Gold Nanoparticles To Achieve Optimized Biosensor Performance.

PubMed

Liang, Pingping; Canoura, Juan; Yu, Haixiang; Alkhamis, Obtin; Xiao, Yi

2018-01-31

DNA-modified gold nanoparticles (AuNPs) are useful signal-reporters for detecting diverse molecules through various hybridization- and enzyme-based assays. However, their performance is heavily dependent on the probe DNA surface coverage, which can influence both target binding and enzymatic processing of the bound probes. Current methods used to adjust the surface coverage of DNA-modified AuNPs require the production of multiple batches of AuNPs under different conditions, which is costly and laborious. We here develop a single-step assay utilizing dithiothreitol (DTT) to fine-tune the surface coverage of DNA-modified AuNPs. DTT is superior to the commonly used surface diluent, mercaptohexanol, as it is less volatile, allowing for the rapid and reproducible controlling of surface coverage on AuNPs with only micromolar concentrations of DTT. Upon adsorption, DTT forms a dense monolayer on gold surfaces, which provides antifouling capabilities. Furthermore, surface-bound DTT adopts a cyclic conformation, which reorients DNA probes into an upright position and provides ample space to promote DNA hybridization, aptamer assembly, and nuclease digestion. We demonstrate the effects of surface coverage on AuNP-based sensors using DTT-regulated DNA-modified AuNPs. We then use these AuNPs to visually detect DNA and cocaine in colorimetric assays based on enzyme-mediated AuNP aggregation. We determine that DTT-regulated AuNPs with lower surface coverage achieve shorter reaction times and lower detection limits relative to those for assays using untreated AuNPs or DTT-regulated AuNPs with high surface coverage. Additionally, we demonstrate that our DTT-regulated AuNPs can perform cocaine detection in 50% urine without any significant matrix effects. We believe that DTT regulation of surface coverage can be broadly employed for optimizing DNA-modified AuNP performance for use in biosensors as well as drug delivery and therapeutic applications.

Theoretical aspects of studies of high coverage oxidation of the Cu(100) surface using low energy positrons

NASA Astrophysics Data System (ADS)

Fazleev, N. G.; Maddox, W. B.

2010-10-01

The study of adsorption of oxygen on transition metal surface is important for the understanding of oxidation, heterogeneous catalysis, and metal corrosion. The structures formed on transition metal surfaces vary from simple adlayers of chemisorbed oxygen to oxygen diffusion into the sub-surface region and the formation of oxides. In this work we present the results of an ab-initio investigation 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. Calculations are also performed for the on-surface adsorption of oxygen on the unreconstructed Cu(001) surface for coverages up to one monolayer to use for comparison. The geometry of the surfaces with adsorbed oxygen is fully optimized. Theoretical results are compared with experimental data obtained from studies of oxidation of the Cu(100) surface using positron annihilation induced Auger electron spectroscopy.

Feature Modeling of HfO2 Atomic Layer Deposition Using HfCl4/H2O

NASA Astrophysics Data System (ADS)

Stout, Phillip J.; Adams, Vance; Ventzek, Peter L. G.

2003-03-01

A Monte Carlo based feature scale model (Papaya) has been applied to atomic layer deposition (ALD) of HfO2 using HfCl_4/H_20. The model includes physical effects of transport to surface, specular and diffusive reflection within feature, adsorption, surface diffusion, deposition and etching. Discussed will be the 3D feature modeling of HfO2 deposition in assorted features (vias and trenches). The effect of feature aspect ratios, pulse times, cycle number, and temperature on film thickness, feature coverage, and film Cl fraction (surface/bulk) will be discussed. Differences between HfO2 ALD on blanket wafers and in features will be highlighted. For instance, the minimum pulse times sufficient for surface reaction saturation on blanket wafers needs to be increased when depositing on features. Also, HCl products created during the HfCl4 and H_20 pulses are more likely to react within a feature than at the field, reducing OH coverage within the feature (vs blanket wafer) thus limiting the maximum coverage attainable for a pulse over a feature.

Walking peptide on Au(110) surface: Origin and nature of interfacial process

NASA Astrophysics Data System (ADS)

Humblot, V.; Tejeda, A.; Landoulsi, J.; Vallée, A.; Naitabdi, A.; Taleb, A.; Pradier, C.-M.

2014-10-01

IGF tri-peptide adsorption on Au(110)-(1 × 2) under Ultra High Vacuum (UHV) conditions has been investigated using surface science techniques such as synchrotron based Angle Resolved X-ray Photoemission Spectroscopy (AR-PES or AR-XPS), Low Energy Electron Diffraction (LEED) and Scanning Tunnelling Microscopy (STM). The behaviour of IGF molecules has been revealed to be coverage dependent; at low coverage, there is formation of islands presenting a chiral self-organised molecular network with a (4 2, - 3 2) symmetry as shown by Low Energy Electron Diffraction (LEED) and Scanning Tunnelling Microscopy (STM) on the unaltered Au(110)-(1 × 2) reconstruction, suggesting significant intermolecular interactions. When the coverage is increased, the islands grow bigger, and one can observe the disappearance of the self-organised network, along with a remarkable destruction of the (1 × 2) substrate reconstruction, as shown by STM. The effect of IGF on the surface gold atoms has been further confirmed by angle-resolved photoemission measurements which suggest a modification of the electronic states with the (1 × 2) symmetry. The resulting molecular organisation, and overall the gold surface disorganisation, prove a strong surface-molecule interaction, which may be probably be explained by a covalent bonding.

[Evolution pattern of impervious surface in the Yuqiao Reservoir Watershed, Tianjin, China during the process of urbanization.

PubMed

Xie, Hui Jun; Li, Chong Wei; Zhang, Ya Juan; Song, Ai Yun

2016-04-22

Imperviousness in watershed is a key index to measure urbanization status which exerts an important impact on both eco-hydrological process and spatio-temporal pattern. Taking Yuqiao Reservoir Watershed as a case study area, based on the ENVI 5.1 software, the basic impervious surface information was extracted from remote sensing images taken in 1984, 1994, 2004 and 2013. The linear spectral mixture analysis (LSMA) model was applied to extract the impervious surface area (ISA) in nine coverage classes of watershed in order to analyze its spatio-temporal varying trend in terms of the landscape pattern metrics. Results showed that the RMSE and IS pixel accuracy of all samples were 0.005 and 85.4% respectively, which indicated that the method of extracting impervious surface on a basin scale was feasible. The average of ISA showed a linear growth, from 0.16 to 0.23, the impervious surface area increased by 4.9% in the whole watershed, and the total impervious surface area increased by 1 time. In the sub-basin road network, the impervious surface area increased gradually with the density of the road network, and its expansion pattern was of infilling growth. The patch shape of the middle coverage degree was irregular, and its fragmentation degree was the highest. The fragmentation degree and diversity of the landscape in the whole river basin increased year by year due to increasing human disturbance.

Studies of high coverage oxidation of the Cu(100) surface using low energy positrons

NASA Astrophysics Data System (ADS)

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).

Influence of the pH value of a colloidal gold solution on the absorption spectra of an LSPR-assisted sensor

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

Zhu, Jin; Li, Wenbin; Zhu, Mao

2014-03-15

The localized surface plasmon resonances (LSPRs) of gold particles assembled on a crystal plate are a powerful tool for biological sensors. Here, we prepare gold colloids in different pH solutions. We monitor the effects of the particle radius and particle coverage on the absorption spectra of AT-cut (r-face dihedral angle of about 3°) crystal plates supporting gold nanoparticles. The surface morphologies were monitored on silicon dioxide substrates using ultraviolet and visible (UV-vis) spectroscopy, and atomic force microscopy (AFM). The results showed that the gold particle coverage decreases with increasing pH value of the gold colloid solution. This phenomenon demonstrates thatmore » self-assembled gold surfaces were formed via the electrostatic adsorption of gold particles on the positively charged, ionized amino groups on the crystal plates in the acidic solution. The spectrum of gold nanoparticles with different coverage degree on the crystal plates showed that the LSPR properties are highly dependent on pH.« less

Uptake of HNO3 on hexane and aviation kerosene soots.

PubMed

Talukdar, Ranajit K; Loukhovitskaya, Ekaterina E; Popovicheva, Olga B; Ravishankara, A R

2006-08-10

The uptake of HNO(3) on aviation kerosene (TC-1) soot was measured as a function of temperature (253-295 K) and the partial pressure of HNO(3), and the uptake of HNO(3) on hexane soot was studied at 295 K and over a limited partial pressure of HNO(3). The HNO(3) uptake was mostly reversible and did not release measurable amounts of gas-phase products such as HONO, NO(3), NO(2) or N(2)O(5). The heat of adsorption of HNO(3) on soot was dependent on the surface coverage. The isosteric heats of adsorption, Delta(0)H(isosteric), were determined as a function of coverage. Delta(0)H(isosteric) values were in the range -16 to -13 kcal mol(-1). The heats of adsorption decrease with increasing coverage. The adsorption data were fit to Freundlich and to Langmuir-Freundlich isotherms. The heterogeneity parameter values were close to 0.5, which suggested that a HNO(3) molecule can occupy two sites on the surface with or without being dissociated and that the soot surface could be nonuniform. Surface FTIR studies on the interaction of soot with HNO(3) did not reveal formation of any minor product such as organic nitrate or nitro compound on the soot surface. Using our measured coverage, we calculate that the partitioning of gas-phase nitric acid to black carbon aerosol is not a significant loss process of HNO(3) in the atmosphere.

Comparison of the Photodesorption Activities of cis-Butene, trans-Butene and Isobutene on the Rutile TiO 2(110) Surface

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

Henderson, Michael A.

2013-10-17

The chemical and photochemical properties of three butene molecules (cis-butene, trans-butene and isobutene) were explored on the clean rutile TiO 2(110) surface using temperature programmed desorption (TPD) and photon simulated desorption (PSD). At the low coverage limit, trans-butene was the most strongly bound butene on the TiO 2(110) surface, desorbing at ~ 210 K, however increased intermolecular repulsions between trans-butene molecules at higher coverage diminished its binding. Both cis-butene and isobutene saturated the first layer on TiO 2(110) at a coverage of ~0.50 ML in a single TPD feature at 184 and 192 K, respectively. In contrast, the maximum coveragemore » that trans-butene could achieve in its 210 K peak was ~1/3 ML, with higher coverages resulting a low temperature desorption at ~137 K. Coverages of these molecules above 0.50 ML resulted in population of second layer and multilayer states. The instability of trans-butene at a coverage of 0.5 ML on the surface was linked to the inversion center in its symmetry. In the absence of coadsorbed oxygen, the primary photochemical pathway of each butene molecule on TiO 2(110) was photodesorption. The photoactivities of these molecules on TiO 2(110) at an initial coverage of 0.50 ML followed the trend: isobutene > cis-butene > trans-butene. In contrast, the photoactivities of low coverages of cis-butene and trans-butene exceeded those measured at 0.50 ML. These data suggest that intermolecular interactions (repulsions) play a significant role in diminishing the photoactivities of weakly bound molecules on TiO 2 photocatalysts. Work reported here was supported by the U.S. Department of Energy, Office of Basic Energy Science, Division of Chemical Sciences, Geosciences, and Biosciences, and performed in the Williams R. Wiley Environmental Molecular Science Laboratory (EMSL), a Department of Energy user facility funded by the Office of Biological and Environmental Research. Pacific Northwest National Laboratory is a multiprogram national laboratory operated for the U.S. Department of Energy by the Battelle Memorial Institute under contract DEAC05-76RL01830.« less

Adsorption and Dissociation of CO2 on Ru(0001)

PubMed Central

2017-01-01

The adsorption and dissociation of carbon dioxide on a Ru(0001) single crystal surface was investigated by reflection–absorption infrared spectroscopy (RAIRS) and temperature-programmed desorption (TPD) spectroscopy for CO2 adsorbed at 85 K. RAIRS spectroscopy shows that the adsorption of CO2 on a Ru(0001) single crystal is partially dissociative, resulting in CO2 and CO. The CO vibrational mode was also observed to split into two distinct modes, indicating two general populations of CO present at the surface. Furthermore, a time-dependent blue-shift is observed, which is characteristic of increasing CO surface coverage. TPD showed that coverages of up to 0.3 ML were obtained, and no evidence for chemisorption of oxygen on ruthenium was found. PMID:28413569

Face specificity and the role of metal adatoms in molecular reorientation at surfaces

NASA Astrophysics Data System (ADS)

Perry, C. C.; Haq, S.; Frederick, B. G.; Richardson, N. V.

1998-07-01

Using reflection absorption infrared spectroscopy (RAIRS), the coverage-dependent reorientation of the benzoate species on the (110) and (111) faces of copper is compared and contrasted. Whereas on Cu(110) benzoate reorients from a flat-lying to an upright orientation with increasing coverage, on Cu(111), at all coverages, benzoate is aligned normal to the surface. The formation of periodic, flat-lying copper-benzoate structures has been attributed to the availability of metal adatoms, which differs dramatically between the (111) and (110) faces. We discuss the face specificity of molecular orientation by comparing calculated formation energies of adatom vacancies from ledges and kink sites on (100), (110) and (111) faces. Further support for this model is given by the evaporation of sodium, either by pre- or post-dosing, onto low-coverage benzoate/Cu(111), which induces benzoate to convert from a perpendicular to a parallel orientation. Likewise, coevaporation of Cu while dosing benzoic acid onto the Cu(111) surface also results in a majority of flat-lying benzoate species. Finally, for adsorption on the p(2×1)O/Cu(110) reconstruction, benzoate occurs only as the upright species, which is consistent with reducing the copper mobility and availability on the (110) face. We therefore suggest the possible role of metal adatoms as a new mechanism in controlling adsorbate orientation and therefore face specificity in surface reactions.

Surface coverage with single vs. multiple gaze surface topography to fit scleral lenses.

PubMed

DeNaeyer, Gregory; Sanders, Donald R; Farajian, Timothy S

2017-06-01

To determine surface coverage of measurements using the sMap3D ® corneo-scleral topographer in patients presenting for scleral lens fitting. Twenty-five eyes of 23 scleral lens patients were examined. Up-gaze, straight-gaze, and down-gaze positions of each eye were "stitched" into a single map. The percentage surface coverage between 10mm and 20mm diameter circles from corneal center was compared between the straight-gaze and stitched images. Scleral toricity magnitude was calculated at 100% coverage and at the same diameter after 50% of the data was removed. At a 10mm diameter from corneal center, the straight-gaze and stitched images both had 100% coverage. At the 14, 15, 16, 18 and 20mm diameters, the straight-gaze image only covered 68%, 53%, 39%, 18%, and 6% of the ocular surface diameters while the stitched image covered 98%, 96%, 93%, 75%, and 32% respectively. In the case showing the most scleral coverage at 16mm (straight-gaze), there was only 75% coverage (straight-gaze) compared to 100% (stitched image); the case with the least coverage had 7% (straight gaze) and 92% (stitched image). The 95% limits of agreement between the 50% and 100% coverage scleral toricity was between -1.4D (50% coverage value larger) and 1.2D (100% coverage larger), a 2.6D spread. The absolute difference between 50% to 100% coverage scleral toricity was ≥0.50D in 28% and ≥1.0D in 16% of cases. It appears that a single straight-gaze image would introduce significant measurement inaccuracy in fitting scleral lenses using the sMap3D while a 3-gaze stitched image would not. Copyright © 2017 British Contact Lens Association. Published by Elsevier Ltd. All rights reserved.

ReaxFF Grand Canonical Monte Carlo simulation of adsorption and dissociation of oxygen on platinum (111)

NASA Astrophysics Data System (ADS)

Valentini, Paolo; Schwartzentruber, Thomas E.; Cozmuta, Ioana

2011-12-01

Atomic-level Grand Canonical Monte Carlo (GCMC) simulations equipped with a reactive force field (ReaxFF) are used to study atomic oxygen adsorption on a Pt(111) surface. The off-lattice GCMC calculations presented here rely solely on the interatomic potential and do not necessitate the pre-computation of surface adlayer structures and their interpolation. As such, they provide a predictive description of adsorbate phases. In this study, validation is obtained with experimental evidence (steric heats of adsorption and isotherms) as well as DFT-based state diagrams available in the literature. The ReaxFF computed steric heats of adsorption agree well with experimental data, and this study clearly shows that indirect dissociative adsorption of O2 on Pt(111) is an activated process at non-zero coverages, with an activation energy that monotonically increases with coverage. At a coverage of 0.25 ML, a highly ordered p(2 × 2) adlayer is found, in agreement with several low-energy electron diffraction observations. Isotherms obtained from the GCMC simulations compare qualitatively and quantitatively well with previous DFT-based state diagrams, but are in disagreement with the experimental data sets available. ReaxFF GCMC simulations at very high coverages show that O atoms prefer to bind in fcc hollow sites, at least up to 0.8 ML considered in the present work. At moderate coverages, little to no disorder appears in the Pt lattice. At high coverages, some Pt atoms markedly protrude out of the surface plane. This observation is in qualitative agreement with recent STM images of an oxygen covered Pt surface. The use of the GCMC technique based on a transferable potential is particularly valuable to produce more realistic systems (adsorbent and adsorbate) to be used in subsequent dynamical simulations (Molecular Dynamics) to address recombination reactions (via either Eley-Rideal or Langmuir-Hinshelwood mechanisms) on variously covered surfaces. By using GCMC and Molecular Dynamics simulations, the ReaxFF force field can be a valuable tool for understanding heterogeneous catalysis on a solid surface. Finally, the use of a reactive potential is a necessary requirement to investigate problems where dissociative adsorption occurs, as typical of many important catalytic processes.

Superstructures at Te/Au(111) interface evolving upon increasing Te coverage

NASA Astrophysics Data System (ADS)

Guan, Jiaqi; Huang, Xiaochun; Xu, Xiaofeng; Zhang, Shuyuan; Jia, Xun; Zhu, Xuetao; Wang, Weihua; Guo, Jiandong

2018-03-01

By in-situ low temperature scanning tunneling microscopy, we systematically investigated the superstructure evolution at Te/Au(111) interface upon increasing Te coverage. Te atoms form one-dimensional √{ 3} R30∘ chains at ∼0.10 monolayer (ML) coverage. Two two-dimensional chiral superstructures, (√{ 111} ×√{ 111}) R 4 .7∘ and (3√{ 21} × 3√{ 21}) R 10 .9∘ , are selectively formed with the Te coverage below and above 1/3 ML, respectively. The two chiral superstructures can be converted to each other reversibly by adding Te atoms or moderately annealing. A honeycomb-like superstructure, decorated with adatoms that are distributed in quasi-one-dimensional chains, is observed by further increasing the Te coverage to 4/9 ML. At the Te/Au(111) interface, an interfacial state at -0.65 eV to -0.55 eV below the Fermi level is also resolved by scanning tunneling spectroscopy. The formation of these Te-induced high-order superstructures is accompanied by relaxation of gold atoms in the surface layer, indicating a strong Te-Au interaction. Our work demonstrates a reliable method to fabricate Te nanostructures on noble metals in a controlled way.

Formation of Molecular Networks: Tailored Quantum Boxes and Behavior of Adsorbed CO in Them

NASA Astrophysics Data System (ADS)

Wyrick, Jon; Sun, Dezheng; Kim, Dae-Ho; Cheng, Zhihai; Lu, Wenhao; Zhu, Yeming; Luo, Miaomiao; Kim, Yong Su; Rotenberg, Eli; Kim, Kwangmoo; Einstein, T. L.; Bartels, Ludwig

2011-03-01

We show that the behavior of CO adsorbed into the pores of large regular networks on Cu(111) is significantly affected by their nano-scale lateral confinement and that formation of the networks themselves is directed by the Shockley surface state. Saturation coverages of CO are found to exhibit persistent dislocation lines; at lower coverages their mobility increases. Individual CO within the pores titrate the surface state, providing crucial information for understanding formation of the network as a result of optimization of the number N of electrons bound within each pore. Determination of N is based on quinone-coverage-dependent UPS data and an analysis of states of particles in a pore-shaped box (verified by CO's titration); a wide range of possible pore shapes and sizes has been considered. Work at UCR supported by NSF CHE 07-49949; at UMD by NSF CHE 07-50334 & UMD NSF-MRSEC DMR 05-20471.

Implications of MOLA Global Roughness, Statistics, and Topography

NASA Technical Reports Server (NTRS)

Aharonson, O.; Zuber, M. T.; Neumann, G. A.

1999-01-01

New insights are emerging as the ongoing high-quality measurements of the Martian surface topography by Mars Orbiter Laser Altimeter (MOLA) on board the Mars Global Surveyor (MGS) spacecraft increase in coverage, resolution, and diversity. For the first time, a global characterization of the statistical properties of topography is possible. The data were collected during the aerobreaking hiatus, science phasing, and mapping orbits of MGS, and have a resolution of 300-400 m along track, a range resolution of 37.5 cm, a range precision of 1-10 m for surface slopes up to 30 deg., and an absolute accuracy of topography of 13 m. The spacecraft's orbit inclination dictates that nadir observations have latitude coverage of about 87.1S to 87.1N; the addition of observations obtained during a period of off-nadir pointing over the north pole extended coverage to 90N. Additional information is contained in the original extended abstract.

Methanol oxidation on stoichiometric and oxygen-rich RuO2(110).

PubMed

Rai, Rahul; Weaver, Jason F

2017-07-26

We used temperature-programmed reaction spectroscopy (TPRS) to investigate the adsorption and oxidation of methanol on stoichiometric and O-rich RuO 2 (110) surfaces. We find that the complete oxidation of CH 3 OH is strongly preferred on stoichiometric RuO 2 (110) during TPRS for initial CH 3 OH coverages below ∼0.33 ML (monolayer), and that partial oxidation to mainly CH 2 O becomes increasingly favored with increasing CH 3 OH coverage from 0.33 to 1.0 ML. We present evidence that an adsorbed CH 2 O 2 species serves as the key intermediate to complete oxidation and that CH 2 O 2 formation is intrinsically facile but becomes limited by the availability of bridging O-atoms on stoichiometric RuO 2 (110) at initial CH 3 OH coverages above 0.33 ML. We show that methanol molecules adsorbed in excess of 0.33 ML dehydrogenate to mainly CH 2 O and desorb during TPRS, with adsorbed CH 3 O groups mediating the evolution of both CH 2 O and CH 3 OH. We find that O-rich RuO 2 (110) surfaces are also highly active toward methanol oxidation and that selectivity toward the complete oxidation of methanol increases markedly with increasing coverage of on-top O-atoms (O ot ) on RuO 2 (110). Our results demonstrate that CH 3 OH species adsorbed within O ot -rich domains react efficiently during TPRS, in parallel with reaction of CH 3 OH adsorbed initially on cus-Ru sites. The data suggests that the facile hydrogenation of O ot atoms and the resulting desorption of H 2 O at low-temperature (<∼400 K) provides an efficient pathway for restoring reactive O-atoms and thereby promoting complete oxidation of methanol on the O-rich RuO 2 (110) surface.

Growth and structural evolution of Sn on Ag(001): Epitaxial monolayer to thick alloy film

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

Chakraborty, Suvankar; Menon, Krishnakumar S. R., E-mail: krishna.menon@saha.ac.in

The growth and structure of Sn on Ag(001), from submonolayer to thick film coverages at room temperature, are studied using low energy electron diffraction, x-ray photoemission spectroscopy and angle-resolved photoemission spectroscopy (ARPES) techniques. The authors observe different growth modes for submonolayer Sn coverages and for higher Sn coverages. Systematic surface structural evolution, consistent with the substitution of surface Ag atoms by Sn atoms, is observed for submonolayer Sn coverages while an ordered Ag-Sn bulk alloy film is formed for higher Sn coverages with an Ag overlayer. For monolayer coverage of Sn, a pseudomorphic growth of a Sn layer without alloyingmore » is determined. ARPES results also confirm the presence of an ordered Ag overlayer on the bulk Ag-Sn alloy film, suggesting the formation of an Ag/Ag{sub 3}Sn/Ag(001) sandwich structure at the surface for higher Sn coverages. The present results illustrate the complex interplay of atomic mobilities, surface free-energies, and alloy formation energies in determining the growth and structural properties of the system.« less

Thermal effects on electronic properties of CO/Pt(111) in water.

PubMed

Duan, Sai; Xu, Xin; Luo, Yi; Hermansson, Kersti; Tian, Zhong-Qun

2013-08-28

Structure and adsorption energy of carbon monoxide molecules adsorbed on the Pt(111) surfaces with various CO coverages in water as well as work function of the whole systems at room temperature of 298 K were studied by means of a hybrid method that combines classical molecular dynamics and density functional theory. We found that when the coverage of CO is around half monolayer, i.e. 50%, there is no obvious peak of the oxygen density profile appearing in the first water layer. This result reveals that, in this case, the external force applied to water molecules from the CO/Pt(111) surface almost vanishes as a result of the competitive adsorption between CO and water molecules on the Pt(111) surface. This coverage is also the critical point of the wetting/non-wetting conditions for the CO/Pt(111) surface. Averaged work function and adsorption energy from current simulations are consistent with those of previous studies, which show that thermal average is required for direct comparisons between theoretical predictions and experimental measurements. Meanwhile, the statistical behaviors of work function and adsorption energy at room temperature have also been calculated. The standard errors of the calculated work function for the water-CO/Pt(111) interfaces are around 0.6 eV at all CO coverages, while the standard error decreases from 1.29 to 0.05 eV as the CO coverage increases from 4% to 100% for the calculated adsorption energy. Moreover, the critical points for these electronic properties are the same as those for the wetting/non-wetting conditions. These findings provide a better understanding about the interfacial structure under specific adsorption conditions, which can have important applications on the structure of electric double layers and therefore offer a useful perspective for the design of the electrochemical catalysts.

Network structure control of binary mixed langmuir monolayers of homo-PS and PS-b-P2VP.

PubMed

Wen, Gangyao

2010-03-25

Our recent work showed there existed a composition window for mixed Langmuir monolayers of homopolystyrene (h-PS) and a symmetric diblock copolymer polystyrene-block-poly(2-vinylpyridine) (PS-b-P2VP) to form necklace-network structures at the air/water interface. In order to study further the possible mechanism and control the network structure (i.e., surface coverage and nanoaggregate diameter), effects of spreading solution concentration and volume, subphase temperature, and transfer pressure on the network structure were studied by the Langmuir monolayer technique and tapping mode atomic force microscopy. With the increase of transfer pressure, there existed a novel nonlinear behavior for the nanoaggregate diameter first to increase, then to decrease, and finally to increase again, while the surface coverage tended to increase step by step. Moreover, with the elevation of temperature, chain motion between the adjoining nanoaggregates tended to be improved and thus the nanoaggregate diameter tended to be more uniform.

Pāhoehoe flow cooling, discharge, and coverage rates from thermal image chronometry

USGS Publications Warehouse

Dehn, Jonathan; Hamilton, Christopher M.; Harris, A. J. L.; Herd, Richard A.; James, M.R.; Lodato, Luigi; Steffke, Andrea

2007-01-01

Theoretically- and empirically-derived cooling rates for active pāhoehoe lava flows show that surface cooling is controlled by conductive heat loss through a crust that is thickening with the square root of time. The model is based on a linear relationship that links log(time) with surface cooling. This predictable cooling behavior can be used assess the age of recently emplaced sheet flows from their surface temperatures. Using a single thermal image, or image mosaic, this allows quantification of the variation in areal coverage rates and lava discharge rates over 48 hour periods prior to image capture. For pāhoehoe sheet flow at Kīlauea (Hawai`i) this gives coverage rates of 1–5 m2/min at discharge rates of 0.01–0.05 m3/s, increasing to ∼40 m2/min at 0.4–0.5 m3/s. Our thermal chronometry approach represents a quick and easy method of tracking flow advance over a three-day period using a single, thermal snap-shot.

Contribution of coated humic acids calculated through their surface coverage on nano iron oxides for ofloxacin and norfloxacin sorption.

PubMed

Peng, Hongbo; Liang, Ni; Li, Hao; Chen, Fangyuan; Zhang, Di; Pan, Bo; Xing, Baoshan

2015-09-01

Sorption of organic contaminants on organo-mineral complexes has been investigated extensively, but the sorption contribution of mineral particles was not properly addressed before calculating KOC, especially for ionic organic contaminants. We measured the surface coverage of a humic acid (HA) on nano iron oxides (n-Fe2O3) in a series of synthesized organo-mineral complexes. The contribution of the coated HA to ofloxacin (OFL) and norfloxacin (NOR) sorption in HA-n-Fe2O3 complexes was over 80% of the total sorption with the surface coverage of 36% and fOC of 1.6%. All the coated HA showed higher sorption to NOR and OFL in comparison to the original HA, suggesting HA fractionation and/or physical re-conformation during organo-mineral complex formation. The decreased KOC with multilayer coating may suggest the importance of site-specific interactions for OFL sorption, while the increased KOC with multilayer coating may suggest the importance of partitioning in hydrophobic region for NOR sorption. Copyright © 2015 Elsevier Ltd. All rights reserved.

Conversion of 1,3-Propylene Glycol on Rutile TiO2(110)

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

Chen, Long; Li, Zhenjun; Smith, R. Scott

2014-10-09

The adsorption of 1,3-propylene glycol (1,3-PG) on partially reduced TiO2(110) and its conversion to products have been studied by a combination of molecular beam dosing and temperature programmed desorption (TPD). When the Ti surface sites are saturated by 1,3-PG, ~80% of the molecules undergo further reactions to yield products that are liberated during the TPD ramp. In contrast to ethylene glycol (EG) and 1,2- propylene glycol (1,2-PG) that yield only alkenes and water at very low coverages (< 0.05 ML), two additional products, HCHO and C2H4, along with propylene (CH3CHCH2) and water are observed for 1,3-PG. Identical TPD line shapesmore » and desorption yields for HCHO and C2H4 suggest that these products result from C-C bond cleavage and are coupled. At higher 1,3-PG coverages (> 0.1 ML), propanal (CH3CH2CHO) and two additional products, 1-propanol (CH3CH2CH2OH) and acrolein (CH2CHCHO), are observed. The desorption of 1-propanol is found to be coupled with the desorption of acrolein, suggesting that these products are formed by the disproportionation of two 1,3-PG molecules. The coverage dependent TPD results further show that propylene formation dominates at low coverages (< 0.3 ML), while the decomposition and disproportionation channels increase rapidly at higher coverages and reach yields comparable to that of propylene at the 1,3-PG saturation coverage of 0.5 ML. The observed surface chemistry clearly shows how the molecular structure of glycols influences their reaction pathways on oxide surfaces.« less

Surface Electrostatic Potential and Water Orientation in the presence of Sodium Octanoate Dilute Monolayers Studied by Means of Molecular Dynamics Simulations.

PubMed

Bernardino, Kalil; de Moura, André F

2015-10-13

A series of atomistic molecular dynamics simulations were performed in the present investigation to assess the spontaneous formation of surfactant monolayers of sodium octanoate at the water-vacuum interface. The surfactant surface coverage increased until a saturation threshold was achieved, after which any further surfactant addition led to the formation of micellar aggregates within the solution. The saturated films were not densely packed, as might be expected for short-chained surfactants, and all films regardless of the surface coverage presented surfactant molecules with the same ordering pattern, namely, with the ionic heads toward the aqueous solution and the tails lying nearly parallel to the interface. The major contributions to the electrostatic surface potential came from the charged heads and the counterion distribution, which nearly canceled out each other. The balance between the oppositely charged ions rendered the electrostatic contributions from water meaningful, amounting to ca. 10% of the contributions arising from the ionic species. And even the aliphatic tails, whose atoms bear relatively small partial atomic charges as compared to the polar molecules and molecular fragments, contributed with ca. 20% of the total electrostatic surface potential of the systems under investigation. Although the aliphatic tails were not so orderly arranged as in a compact film, the C-H bonds assumed a preferential orientation, leading to an increased contribution to the electrostatic properties of the interface. The most prominent feature arising from the partitioning of the electrostatic potential into individual contributions was the long-range ordering of the water molecules. This ordering of the water molecules produced a repulsive dipole-dipole interaction between the two interfaces, which increased with the surface coverage. Only for a water layer wider than 10 nm was true bulk behavior observed, and the repulsive dipole-dipole interaction faded away.

Study of Perfluorophosphonic Acid Surface Modifications on Zinc Oxide Nanoparticles.

PubMed

Quiñones, Rosalynn; Shoup, Deben; Behnke, Grayce; Peck, Cynthia; Agarwal, Sushant; Gupta, Rakesh K; Fagan, Jonathan W; Mueller, Karl T; Iuliucci, Robbie J; Wang, Qiang

2017-11-28

In this study, perfluorinated phosphonic acid modifications were utilized to modify zinc oxide (ZnO) nanoparticles because they create a more stable surface due to the electronegativity of the perfluoro head group. Specifically, 12-pentafluorophenoxydodecylphosphonic acid, 2,3,4,5,6-pentafluorobenzylphosphonic acid, and (1H,1H,2H,2H-perfluorododecyl)phosphonic acid have been used to form thin films on the nanoparticle surfaces. The modified nanoparticles were then characterized using infrared spectroscopy, X-ray photoelectron spectroscopy, and solid-state nuclear magnetic resonance spectroscopy. Dynamic light scattering and scanning electron microscopy-energy dispersive X-ray spectroscopy were utilized to determine the particle size of the nanoparticles before and after modification, and to analyze the film coverage on the ZnO surfaces, respectively. Zeta potential measurements were obtained to determine the stability of the ZnO nanoparticles. It was shown that the surface charge increased as the alkyl chain length increases. This study shows that modifying the ZnO nanoparticles with perfluorinated groups increases the stability of the phosphonic acids adsorbed on the surfaces. Thermogravimetric analysis was used to distinguish between chemically and physically bound films on the modified nanoparticles. The higher weight loss for 12-pentafluorophenoxydodecylphosphonic acid and (1H,1H,2H,2H-perfluorododecyl)phosphonic acid modifications corresponds to a higher surface concentration of the modifications, and, ideally, higher surface coverage. While previous studies have shown how phosphonic acids interact with the surfaces of ZnO, the aim of this study was to understand how the perfluorinated groups can tune the surface properties of the nanoparticles.

Wireless Metal Detection and Surface Coverage Sensing for All-Surface Induction Heating

PubMed Central

Kilic, Veli Tayfun; Unal, Emre; Demir, Hilmi Volkan

2016-01-01

All-surface induction heating systems, typically comprising small-area coils, face a major challenge in detecting the presence of a metallic vessel and identifying its partial surface coverage over the coils to determine which of the coils to power up. The difficulty arises due to the fact that the user can heat vessels made of a wide variety of metals (and their alloys). To address this problem, we propose and demonstrate a new wireless detection methodology that allows for detecting the presence of metallic vessels together with uniquely sensing their surface coverages while also identifying their effective material type in all-surface induction heating systems. The proposed method is based on telemetrically measuring simultaneously inductance and resistance of the induction coil coupled with the vessel in the heating system. Here, variations in the inductance and resistance values for an all-surface heating coil loaded by vessels (made of stainless steel and aluminum) at different positions were systematically investigated at different frequencies. Results show that, independent of the metal material type, unique identification of the surface coverage is possible at all freqeuncies. Additionally, using the magnitude and phase information extracted from the coupled coil impedance, unique identification of the vessel effective material is also achievable, this time independent of its surface coverage. PMID:26978367

Molecular effective coverage surface area of optical clearing agents for predicting optical clearing potential

NASA Astrophysics Data System (ADS)

Feng, Wei; Ma, Ning; Zhu, Dan

2015-03-01

The improvement of methods for optical clearing agent prediction exerts an important impact on tissue optical clearing technique. The molecular dynamic simulation is one of the most convincing and simplest approaches to predict the optical clearing potential of agents by analyzing the hydrogen bonds, hydrogen bridges and hydrogen bridges type forming between agents and collagen. However, the above analysis methods still suffer from some problem such as analysis of cyclic molecule by reason of molecular conformation. In this study, a molecular effective coverage surface area based on the molecular dynamic simulation was proposed to predict the potential of optical clearing agents. Several typical cyclic molecules, fructose, glucose and chain molecules, sorbitol, xylitol were analyzed by calculating their molecular effective coverage surface area, hydrogen bonds, hydrogen bridges and hydrogen bridges type, respectively. In order to verify this analysis methods, in vitro skin samples optical clearing efficacy were measured after 25 min immersing in the solutions, fructose, glucose, sorbitol and xylitol at concentration of 3.5 M using 1951 USAF resolution test target. The experimental results show accordance with prediction of molecular effective coverage surface area. Further to compare molecular effective coverage surface area with other parameters, it can show that molecular effective coverage surface area has a better performance in predicting OCP of agents.

Automated discovery and construction of surface phase diagrams using machine learning

DOE PAGES

Ulissi, Zachary W.; Singh, Aayush R.; Tsai, Charlie; ...

2016-08-24

Surface phase diagrams are necessary for understanding surface chemistry in electrochemical catalysis, where a range of adsorbates and coverages exist at varying applied potentials. These diagrams are typically constructed using intuition, which risks missing complex coverages and configurations at potentials of interest. More accurate cluster expansion methods are often difficult to implement quickly for new surfaces. We adopt a machine learning approach to rectify both issues. Using a Gaussian process regression model, the free energy of all possible adsorbate coverages for surfaces is predicted for a finite number of adsorption sites. Our result demonstrates a rational, simple, and systematic approachmore » for generating accurate free-energy diagrams with reduced computational resources. Finally, the Pourbaix diagram for the IrO 2(110) surface (with nine coverages from fully hydrogenated to fully oxygenated surfaces) is reconstructed using just 20 electronic structure relaxations, compared to approximately 90 using typical search methods. Similar efficiency is demonstrated for the MoS 2 surface.« less

Effect of hydrogen coverage on hydrogenation of o-cresol on Pt(111)

NASA Astrophysics Data System (ADS)

Li, Yaping; Liu, Zhimin; Crossley, Steven P.; Jentoft, Friederike C.; Wang, Sanwu

2018-06-01

The conversion of phenolics over metal catalysts is an important process for upgrading biofuels. With density functional calculations, hydrogenation of o-cresol on the hydrogen-covered Pt(111) surface was investigated. The results show that the coverage of hydrogen plays a significant role in the reaction rate while it does not affect the reaction selectivity. The reaction barriers of the hydrogenation process leading to the formation of both 2-methyl-cyclohexanone (the intermediate product) and 2-methyl-cyclohexanol (the final product) at high H coverages (∼1 ML) are found to be smaller by 0.14-0.69 eV than those at lower H coverages (∼1/25 ML). After both hydrogen and cresol are adsorbed on Pt(111) from their initial gas phase state, the reaction energy of each hydrogenation step on the surface is also dependent on the hydrogen coverage. On the H-covered Pt(111) surface, most steps of hydrogenation involve exothermic reactions when the hydrogen coverage is high while they are endothermic reactions at low hydrogen coverages. The differences in reaction rate and reaction energy between high and low H coverages can be understood with the coverage-dependent bonding strength and configurations.

Theoretical aspects of studies of high coverage oxidation of the Cu(100) surface using low energy positrons

NASA Astrophysics Data System (ADS)

Fazleev, N. G.; Maddox, W. B.; Reed, J. A.

2011-03-01

The study of adsorption of oxygen on transition metal surface is important for the understanding of oxidation, heterogeneous catalysis, and metal corrosion. The structures formed on transition metal surfaces vary from simple adlayers of chemisorbed oxygen to more complex structures which results from diffusion of oxygen into the sub-surface regions. In this work we present the results of an ab-initio investigation of positron surface and bulk states and annihilation probabilities of surface-trapped positrons with relevant core electrons at the Cu(100) missing row reconstructed surface under conditions of high oxygen coverage. Calculations are performed for various surface and subsurface oxygen coverages ranging from 0.50 to 1.50 monolayers. Calculations are also performed for the on-surface adsorption of oxygen on the unreconstructed Cu(001) surface for coverages up to one monolayer to use for comparison. Estimates of the positron binding energy, positron work function, and annihilation characteristics reveal their sensitivity to atomic structure of the topmost layers of the surface and charge transfer. Theoretical results are compared with experimental data obtained from studies of oxidation of the Cu(100) surface using positron annihilation induced Auger electron spectroscopy.

Cell Adhesion on RGD-Displaying Knottins with Varying Numbers of Tryptophan Amino Acids to Tune the Affinity for Assembly on Cucurbit[8]uril Surfaces.

PubMed

Sankaran, Shrikrishnan; Cavatorta, Emanuela; Huskens, Jurriaan; Jonkheijm, Pascal

2017-09-05

Cell adhesion is studied on multivalent knottins, displaying RGD ligands with a high affinity for integrin receptors, that are assembled on CB[8]-methylviologen-modified surfaces. The multivalency in the knottins stems from the number of tryptophan amino acid moieties, between 0 and 4, that can form a heteroternary complex with cucurbit[8]uril (CB[8]) and surface-tethered methylviologen (MV 2+ ). The binding affinity of the knottins with CB[8] and MV 2+ surfaces was evaluated using surface plasmon resonance spectroscopy. Specific binding occurred, and the affinity increased with the valency of tryptophans on the knottin. Additionally, increased multilayer formation was observed, attributed to homoternary complex formation between tryptophan residues of different knottins and CB[8]. Thus, we were able to control the surface coverage of the knottins by valency and concentration. Cell experiments with mouse myoblast (C2C12) cells on the self-assembled knottin surfaces showed specific integrin recognition by the RGD-displaying knottins. Moreover, cells were observed to elongate more on the supramolecular knottin surfaces with a higher valency, and in addition, more pronounced focal adhesion formation was observed on the higher-valency knottin surfaces. We attribute this effect to the enhanced coverage and the enhanced affinity of the knottins in their interaction with the CB[8] surface. Collectively, these results are promising for the development of biomaterials including knottins via CB[8] ternary complexes for tunable interactions with cells.

Strong π-π interaction of porphyrins on (6,5) carbon nanotubes with full surface coverage: Ab-initio calculations

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

Orellana, Walter, E-mail: worellana@unab.cl

2014-07-14

The stability, electronic, and optical properties of (6,5) single-walled carbon nanotubes (CNTs) functionalized with free-base tetraphenylporphyrin (TPP) molecules through π-stacking interactions are studied by ab-initio calculations. The stability and optical response of the CNT-TPP compounds for increasing CNT-surface coverage are investigated. Our results show that four TPP molecules forming a ring around the CNT is the most stable configuration, showing strong binding energies of about 2.5 eV/TPP. However, this binding energy can increase even more after additional molecules assemble side by side along the CNT, favoring the formation of a full single layer of TPP, as experimentally suggested. The strong π-πmore » attractive forces induce molecular distortions that move the TPP higher-occupied molecular orbital levels inside the CNT bandgap, changing the optical response of the TPP molecules stacked on the CNT.« less

Climate Responses to Changes in Land-surface Properties due to Wildfires

NASA Astrophysics Data System (ADS)

Liu, Y.; Hao, X.; Qu, J. J.

2015-12-01

Wildfires can feedback the atmosphere by impacting atmospheric radiation transfer and cloud microphysics through emitting smoke particles and the land-air heat and water fluxes through modifying land-surface properties. While the impacts through smoke particles have been extensively investigated recently, very few studies have been conducted to examine the impacts through land-surface property change. This study is to fill this gap by examining the climate responses to the changes in land-surface properties induced by several large wildfires in the United States. Satellite remote sensing tools including MODIS and Landsat are used to quantitatively evaluate the land-surface changes characterized by reduced vegetation coverage and increased albedo over long post-fire periods. Variations in air and soil temperature and moisture of the burned areas are also monitored. Climate modeling is conducted to simulate climate responses and understand the related physical processes and interactions. The preliminary results indicate noticeable changes in water and heat transfers from the ground to the atmosphere through several mechanisms. Larger albedo reduces solar radiation absorbed on the ground, leading to less energy for latent and sensible heat fluxes. With smaller vegetation coverage, water transfer from the soil to the atmosphere through transpiration is reduced. Meanwhile, the Bowen ratio becomes larger after burning and therefore more solar energy absorbed on the ground is converted into sensible heat instead of being used as latent energy for water phase change. In addition, reduced vegetation coverage reduces roughness and increases wind speed, which modify dynamic resistances to water and heat movements. As a result of the changes in the land-air heat and water fluxes, clouds and precipitation as well as other atmospheric processes are affected by wildfires.

pH-Responsive Mercaptoundecanoic Acid Functionalized Gold Nanoparticles and Applications in Catalysis

PubMed Central

Ansar, Siyam M.; Chakraborty, Saptarshi

2018-01-01

Mercaptoundecanoic acid (MUA) functionalized gold nanoparticles (AuNP-MUA) were synthesized and demonstrated to possess pH-triggered aggregation and re-dispersion, as well as the capability of phase transfer between aqueous and organic phases in response to changes in pH. The pH of aggregation for AuNP-MUA is consistent with the pKa of MUA (pH ~4) in solution, while AuNP-MUA phase transition between aqueous and organic phases occurs at pH ~9. The ion pair formation between the amine group in octadecylamine (ODA), the carboxylate group in MUA, and the hydrophobic alkyl chain of ODA facilitates the phase transfer of AuNP-MUA into an organic medium. The AuNP-MUA were investigated as a reusable catalyst in the catalytic reduction of 4-nitrophenol by borohydride—a model reaction for AuNPs. It was determined that 100% MUA surface coverage completely inhibits the catalytic activity of AuNPs. Decreasing the surface coverage was shown to increase catalytic activity, but this decrease also leads to decreased colloidal stability, recoverability, and reusability in subsequent reactions. At 60% MUA surface coverage, colloidal stability and catalytic activity were achieved, but the surface coverage was insufficient to enable redispersion following pH-induced recovery. A balance between AuNP colloidal stability, recoverability, and catalytic activity with reusability was achieved at 90% MUA surface coverage. The AuNP-MUA catalyst can also be recovered at different pH ranges depending on the recovery method employed. At pH ~4, protonation of the MUA results in reduced surface charge and aggregation. At pH ~9, ODA will form an ion-pair with the MUA and induce phase transfer into an immiscible organic phase. Both the pH-triggered aggregation/re-dispersion and aqueous/organic phase transfer methods were employed for catalyst recovery and reuse in subsequent reactions. The ability to recover and reuse the AuNP-MUA catalyst by two different methods and different pH regimes is significant, based on the fact that nanoparticle-catalyzed reactions may occur under different pH conditions. PMID:29772775

Coverage Dependent Charge Reduction of Cationic Gold Clusters on Surfaces Prepared Using Soft Landing of Mass-selected Ions

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

Johnson, Grant E.; Priest, Thomas A.; Laskin, Julia

2012-11-29

The ionic charge state of monodisperse cationic gold clusters on surfaces may be controlled by selecting the coverage of mass-selected ions soft landed onto a substrate. Polydisperse diphosphine-capped gold clusters were synthesized in solution by reduction of chloro(triphenylphosphine)gold(I) with borane tert-butylamine in the presence of 1,3-bis(diphenylphosphino)propane. The polydisperse gold clusters were introduced into the gas phase by electrospray ionization and mass selection was employed to select a multiply charged cationic cluster species (Au11L53+, m/z = 1409, L = 1,3-bis(diphenylphosphino)propane) which was delivered to the surfaces of four different self-assembled monolayers on gold (SAMs) at coverages of 1011 and 1012 clusters/mm2.more » Employing the spatial profiling capabilities of in-situ time-of-flight secondary ion mass spectrometry (TOF-SIMS) it is shown that, in addition to the chemical functionality of the monolayer (as demonstrated previously: ACS Nano, 2012, 6, 573) the coverage of cationic gold clusters on the surface may be used to control the distribution of ionic charge states of the soft-landed multiply charged clusters. In the case of a 1H,1H,2H,2H-perfluorodecanethiol SAM (FSAM) almost complete retention of charge by the deposited Au11L53+ clusters was observed at a lower coverage of 1011 clusters/mm2. In contrast, at a higher coverage of 1012 clusters/mm2, pronounced reduction of charge to Au11L52+ and Au11L5+ was observed on the FSAM. When soft landed onto 16- and 11-mercaptohexadecanoic acid surfaces on gold (16,11-COOH-SAMs), the mass-selected Au11L53+ clusters exhibited partial reduction of charge to Au11L52+ at lower coverage and additional reduction of charge to both Au11L52+ and Au11L5+ at higher coverage. The reduction of charge was found to be more pronounced on the surface of the shorter (thinner) C11 than the longer (thicker) C16-COOH-SAM. On the surface of the 1-dodecanethiol (HSAM) monolayer, the most abundant charge state was found to be Au11L52+ at lower coverage and Au11L5+ at higher coverage, respectively. A coverage-dependent electron tunneling mechanism is proposed to account for the observed reduction of charge of mass-selected multiply charged gold clusters soft landed on SAMs. The results demonstrate that one of the critical parameters that influence the chemical and physical properties of supported metal clusters, ionic charge state, may be controlled by selecting the coverage of charged species soft landed onto surfaces.« less

Vegetation Coverage and Impervious Surface Area Estimated Based on the Estarfm Model and Remote Sensing Monitoring

NASA Astrophysics Data System (ADS)

Hu, Rongming; Wang, Shu; Guo, Jiao; Guo, Liankun

2018-04-01

Impervious surface area and vegetation coverage are important biophysical indicators of urban surface features which can be derived from medium-resolution images. However, remote sensing data obtained by a single sensor are easily affected by many factors such as weather conditions, and the spatial and temporal resolution can not meet the needs for soil erosion estimation. Therefore, the integrated multi-source remote sensing data are needed to carry out high spatio-temporal resolution vegetation coverage estimation. Two spatial and temporal vegetation coverage data and impervious data were obtained from MODIS and Landsat 8 remote sensing images. Based on the Enhanced Spatial and Temporal Adaptive Reflectance Fusion Model (ESTARFM), the vegetation coverage data of two scales were fused and the data of vegetation coverage fusion (ESTARFM FVC) and impervious layer with high spatiotemporal resolution (30 m, 8 day) were obtained. On this basis, the spatial variability of the seepage-free surface and the vegetation cover landscape in the study area was measured by means of statistics and spatial autocorrelation analysis. The results showed that: 1) ESTARFM FVC and impermeable surface have higher accuracy and can characterize the characteristics of the biophysical components covered by the earth's surface; 2) The average impervious surface proportion and the spatial configuration of each area are different, which are affected by natural conditions and urbanization. In the urban area of Xi'an, which has typical characteristics of spontaneous urbanization, landscapes are fragmented and have less spatial dependence.

Contact pin-printing of albumin-fungicide conjugate for silicon nitride-based sensors biofunctionalization: Multi-technique surface analysis for optimum immunoassay performance

NASA Astrophysics Data System (ADS)

Gajos, Katarzyna; Budkowski, Andrzej; Tsialla, Zoi; Petrou, Panagiota; Awsiuk, Kamil; Dąbczyński, Paweł; Bernasik, Andrzej; Rysz, Jakub; Misiakos, Konstantinos; Raptis, Ioannis; Kakabakos, Sotirios

2017-07-01

Mass fabrication of integrated biosensors on silicon chips is facilitated by contact pin-printing, applied for biofunctionalization of individual Si3N4-based transducers at wafer-scale. To optimize the biofunctionalization for immunochemical (competitive) detection of fungicide thiabendazole (TBZ), Si3N4 surfaces are modified with (3-aminopropyl)triethoxysilane and examined after: immobilization of BSA-TBZ conjugate (probe) from solutions with different concentration, blocking with bovine serum albumin (BSA), and immunoreaction with a mouse monoclonal antibody against TBZ. Nanostructure, surface density, probe composition and coverage uniformity of protein layers are evaluated with Atomic Force Microscopy, Spectroscopic Ellipsometry, Time-of-Flight Secondary Ion Mass Spectrometry and X-ray Photoelectron Spectroscopy. Contact pin-printing of overlapping probe spots is compared with hand spotted areas. Contact pin-printing resulted in two-fold increase of immobilized probe surface density as compared to hand spotting. Regarding BSA-TBZ immobilization, an incomplete monolayer develops into a bilayer as the concentration of BSA-TBZ molecules in the printing solution increases from 25 to 100 μg/mL. Upon blocking, however, a complete protein monolayer is formed for all the BSA-TBZ concentrations used. Free surface sites are filled with BSA for low surface coverage with BSA-TBZ, whereas loosely bound BSA-TBZ molecules are removed from the BSA-TBZ bilayer. As a consequence immunoreaction efficiency increases with the printing probe concentration.

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

Petrik, Nikolay G.; Henderson, Michael A.; Kimmel, Gregory A.

Angle-resolved photon stimulated desorption (PSD) combined with infrared reflection-adsorption spectroscopy and temperature programmed desorption reveal two distinct channels in the photochemistry of acetone on rutile TiO₂(110) surface. During UV irradiation of co-adsorbed oxygen and acetone molecules, methyl radicals (CH₃) are ejected in two different directions: i) normal to the surface and ii) off-normal at ~±66° to the surface normal in the azimuth (i.e. perpendicular to the rows of bridging oxygen and Ti atoms). Both components are relatively narrow and non-cosine, indicating non-thermal evolution of CH₃ radicals. The direction of the “off-normal” PSD component is consistent with orientation of the C–CH₃more » bonds in the n²-acetone diolate—a photoactive form of acetone chemisorption on the oxidized TiO₂(110) surface proposed earlier from experimental and theoretical studies. The direction of the “normal” PSD component requires an orientation of a C–CH₃ bond which is not consistent with the n²-acetone diolate structure. The angular distribution of the CH₃ PSD depends on the acetone coverage. The “off-normal” PSD component dominates at lower acetone coverage (< 0.2 ML), but does not increase at higher coverages in accord with the acetone diolate peak intensity in the infrared reflection-absorption spectra. The “normal” PSD component grows with the acetone coverage up to 0.6 ML. The newly discovered “normal” PSD channel is tentatively assigned to a photo-produced n²- acetone enolate as a potential precursor based on the H/D exchange experiments« less

Coverage-dependent adsorption and desorption of oxygen on Pd(100)

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

Dunnen, Angela den; Jacobse, Leon; Wiegman, Sandra

2016-06-28

We have studied the adsorption and desorption of O{sub 2} on Pd(100) by supersonic molecular beam techniques and thermal desorption spectroscopy. Adsorption measurements on the bare surface confirm that O{sub 2} initially dissociates for all kinetic energies between 56 and 380 meV and surface temperatures between 100 and 600 K via a direct mechanism. At and below 150 K, continued adsorption leads to a combined O/O{sub 2} overlayer. Dissociation of molecularly bound O{sub 2} during a subsequent temperature ramp leads to unexpected high atomic oxygen coverages, which are also obtained at high incident energy and high surface temperature. At intermediatemore » temperatures and energies, these high final coverages are not obtained. Our results show that kinetic energy of the gas phase reactant and reaction energy dissipated during O{sub 2} dissociation on the cold surface both enable activated nucleation of high-coverage surface structures. We suggest that excitation of local substrate phonons may play a crucial role in oxygen dissociation at any coverage.« less

Coverage dependent molecular assembly of anthraquinone on Au(111)

NASA Astrophysics Data System (ADS)

DeLoach, Andrew S.; Conrad, Brad R.; Einstein, T. L.; Dougherty, Daniel B.

2017-11-01

A scanning tunneling microscopy study of anthraquinone (AQ) on the Au(111) surface shows that the molecules self-assemble into several structures depending on the local surface coverage. At high coverages, a close-packed saturated monolayer is observed, while at low coverages, mobile surface molecules coexist with stable chiral hexamer clusters. At intermediate coverages, a disordered 2D porous network interlinking close-packed islands is observed in contrast to the giant honeycomb networks observed for the same molecule on Cu(111). This difference verifies the predicted extreme sensitivity [J. Wyrick et al., Nano Lett. 11, 2944 (2011)] of the pore network to small changes in the surface electronic structure. Quantitative analysis of the 2D pore network reveals that the areas of the vacancy islands are distributed log-normally. Log-normal distributions are typically associated with the product of random variables (multiplicative noise), and we propose that the distribution of pore sizes for AQ on Au(111) originates from random linear rate constants for molecules to either desorb from the surface or detach from the region of a nucleated pore.

Coverage dependent molecular assembly of anthraquinone on Au(111).

PubMed

DeLoach, Andrew S; Conrad, Brad R; Einstein, T L; Dougherty, Daniel B

2017-11-14

A scanning tunneling microscopy study of anthraquinone (AQ) on the Au(111) surface shows that the molecules self-assemble into several structures depending on the local surface coverage. At high coverages, a close-packed saturated monolayer is observed, while at low coverages, mobile surface molecules coexist with stable chiral hexamer clusters. At intermediate coverages, a disordered 2D porous network interlinking close-packed islands is observed in contrast to the giant honeycomb networks observed for the same molecule on Cu(111). This difference verifies the predicted extreme sensitivity [J. Wyrick et al., Nano Lett. 11, 2944 (2011)] of the pore network to small changes in the surface electronic structure. Quantitative analysis of the 2D pore network reveals that the areas of the vacancy islands are distributed log-normally. Log-normal distributions are typically associated with the product of random variables (multiplicative noise), and we propose that the distribution of pore sizes for AQ on Au(111) originates from random linear rate constants for molecules to either desorb from the surface or detach from the region of a nucleated pore.

Effects of urban tree canopy loss on land surface temperature magnitude and timing

Treesearch

Arthur Elmes; John Rogan; Christopher Williams; Samuel Ratick; David Nowak; Deborah Martin

2017-01-01

Urban Tree Canopy (UTC) plays an important role in moderating the Surface Urban Heat Island (SUHI) effect, which poses threats to human health due to substantially increased temperatures relative to rural areas. UTC coverage is associated with reduced urban temperatures, and therefore benefits both human health and reducing energy use in cities. Measurement of this...

Dimer formation and surface alloying: a STM study of lead on Cu(211)

NASA Astrophysics Data System (ADS)

Bartels, L.; Zöphel, S.; Meyer, G.; Henze, E.; Rieder, K.-H.

1997-02-01

We present a STM investigation of Pb adsorption on the Cu(211) surface in the temperature range between 30 K and room temperature. We observe three different kinds of ordered 1D Pb and PbCu chains (nanowires) located at the intrinsic step edges of the Cu(211) surface. On room temperature prepared samples, Pb is found to be incorporated into the step edges of the (211) surface. The first ordered structure consists of CuPb chains at the step edges (p(2 × disorder)) and is followed with increasing coverage by a close packed row of Pb-atoms (p(4 × disorder)). Preparation at low temperature yields Pb-dimers, and the first ordered structure is a row of Pb-dimers at the step edge (p(3 × disorder)) followed with increased coverage by a structure as described above. By systematic manipulation with the tunneling tip, we could get additional insight into the structural elements of the PbCu layer on the atomic scale. Furthermore, by measuring the threshold resistance to detach atoms from different ad-sites, we can approximately determine the binding energy and gain some insight into the thermodynamical parameters involved.

Mapping Titan Cloud Coverage

NASA Image and Video Library

2010-09-21

This graphic, constructed from data obtained by NASA Cassini spacecraft, shows the percentage of cloud coverage across the surface of Saturn moon Titan. The color scale from black to yellow signifies no cloud coverage to complete cloud coverage.

Bacterial plaque retention on oral hard materials: effect of surface roughness, surface composition, and physisorbed polycarboxylate.

PubMed

McConnell, Marla D; Liu, Yu; Nowak, Andrew P; Pilch, Shira; Masters, James G; Composto, Russell J

2010-03-15

Bacterial adhesion to oral hard materials is dependent on various factors, for example, surface roughness and surface composition. In this study, bacteria retention on three oral hard substrates, hydroxyapatite (HAP), enamel, and polished enamel (p-enamel) were investigated. The surface morphology and roughness of the three substrates were measured by scanning probe microscopy. HAP had the roughest surface, followed by enamel and polished enamel. For each individual substrate type, the roughness was shown to increase with scan size up to 50 microm x 50 microm. For HAP and enamel, roughness decreased considerably after formation of a pellicle, while addition of polymer coating to the pellicle layer reduced roughness much less in comparison. Bacterial surface coverage was measured at 30 min, 3 h, and 24 h on both native and surface-modified substrates, which were coated with two different polycarboxylate-based polymers, Gantrez S97 and Carbopol 940. As a result, the polymer coated surfaces had reduced bacteria coverage compared with the native surfaces over all time points and substrates measured. The reduction is the combined effect of electrostatic repulsion and sequestering of Ca(2+) ions at the surface, which plays a key role in the initial adhesion of bacteria to enamel surfaces in models of plaque formation. (c) 2009 Wiley Periodicals, Inc.

Cs/NF3 adsorption on [001]-oriented GaN nanowire surface: A first principle calculation

NASA Astrophysics Data System (ADS)

Diao, Yu; Liu, Lei; Xia, Sihao; Kong, Yike

2017-11-01

In this study, the adsorption mechanism of Cs/NF3 on the [001]-oriented GaN nanowire surface is investigated by using the density function theory based on first-principles. In the Cs/NF3 co-activation process, the system is inclined to form NF3-in structure. Through the calculation results of adsorption energy, NF3 molecule adsorption tends to take an orientation with F atoms on top and the most favorable adsorption site is BGa-N. The NF3 activation process can further cut down the work function of the Cs-covered nanowire surface only when Cs coverage is 0.75 ML and 1 ML, which can be explained by the double dipole moment theory. With increasing Cs coverage, the valence band and conduction band both shift to lower energy side, contributing to the appearance of a downward band bending region and promoting the escape of surface photoelectrons. After NF3 molecule adsorption, the peak of total density of states near Fermi level increase due to the orbital hybridization between NF3-2s, Cs-5s states and N-2p states, which strengthen the conductivity of the nanowire surface and leads to the metallic properties. All these calculations may direct the Cs/NF3 activation process of GaN nanowire optoelectronic devices.

Novel color additive for chlorine disinfectants corrects deficiencies in spray surface coverage and wet-contact time and checks for correct chlorine concentration.

PubMed

Tyan, Kevin; Jin, Katherine; Kang, Jason; Kyle, Aaron M

2018-04-18

Bleach sprays suffer from poor surface coverage, dry out before reaching proper contact time, and can be inadvertently over-diluted to ineffective concentrations. Highlight ® , a novel color additive for bleach that fades to indicate elapsed contact time, maintained >99.9% surface coverage over full contact time and checked for correct chlorine concentration. Copyright © 2018 Association for Professionals in Infection Control and Epidemiology, Inc. Published by Elsevier Inc. All rights reserved.

Evolution of carboxymethyl cellulose layer morphology on hydrophobic mineral surfaces: variation of polymer concentration and ionic strength.

PubMed

Beaussart, Audrey; Mierczynska-Vasilev, Agnieszka; Beattie, David A

2010-06-15

The adsorption of carboxymethyl cellulose (CMC) on the basal planes of talc and molybdenite has been studied using in situ atomic force microscope (AFM) imaging. These experiments were partnered with quantitative adsorption isotherm determinations on particulate samples. The isotherms revealed a clear increase of the CMC adsorbed amount upon increasing the solution ionic strength for adsorption on both minerals. In addition, the shapes of the isotherms changed in response to the change in the electrolyte concentration, with CMC on talc displaying stepped (10(-3) M KCl), Langmuir (10(-2) M KCl), then Freundlich isotherm shapes (10(-1) M KCl), and CMC on molybdenite displaying stepped (10(-3) M KCl), Freundlich (10(-2) M KCl), then Langmuir isotherm shapes (10(-1) M KCl). AFM imaging of the polymer layer on the mineral surfaces with varying solution conditions mirrored and confirmed the conclusions from the isotherms: as the polymer solution concentration increased, coverage on the basal plane increased; as the ionic strength increased, coverage on the basal plane increased and the morphology of the layer changed from isolated well-distributed polymer domains to extensive adsorption and formation of dense, uneven polymer domains/features. In addition, comparison of the talc and molybdenite datasets points toward the presence of different binding mechanisms for CMC adsorption on the talc and molybdenite basal plane surfaces. 2010 Elsevier Inc. All rights reserved.

Effect of Surface Coverage of Gold Nanoparticles on the Refractive Index Sensitivity in Fiber-Optic Nanoplasmonic Sensing.

PubMed

Wu, Wei-Te; Chen, Chien-Hsing; Chiang, Chang-Yue; Chau, Lai-Kwan

2018-05-31

A simple theoretical model was developed to analyze the extinction spectrum of gold nanoparticles (AuNPs) on the fiber core and glass surfaces in order to aid the determination of the surface coverage and surface distribution of the AuNPs on the fiber core surface for sensitivity optimization of the fiber optic particle plasmon resonance (FOPPR) sensor. The extinction spectrum of AuNPs comprises of the interband absorption of AuNPs, non-interacting plasmon resonance (PR) band due to isolated AuNPs, and coupled PR band of interacting AuNPs. When the surface coverage is smaller than 12.2%, the plasmon coupling effect can almost be ignored. This method is also applied to understand the refractive index sensitivity of the FOPPR sensor with respect to the non-interacting PR band and the coupled PR band. In terms of wavelength sensitivity at a surface coverage of 18.6%, the refractive index sensitivity of the coupled PR band (205.5 nm/RIU) is greater than that of the non-interacting PR band (349.1 nm/RIU). In terms of extinction sensitivity, refractive index sensitivity of the coupled PR band (-3.86/RIU) is similar to that of the non-interacting PR band (-3.93/RIU). Both maximum wavelength and extinction sensitivities were found at a surface coverage of 15.2%.

Structural requirements and reaction pathways in dimethyl ether combustion catalyzed by supported Pt clusters.

PubMed

Ishikawa, Akio; Neurock, Matthew; Iglesia, Enrique

2007-10-31

The identity and reversibility of the elementary steps required for catalytic combustion of dimethyl ether (DME) on Pt clusters were determined by combining isotopic and kinetic analyses with density functional theory estimates of reaction energies and activation barriers to probe the lowest energy paths. Reaction rates are limited by C-H bond activation in DME molecules adsorbed on surfaces of Pt clusters containing chemisorbed oxygen atoms at near-saturation coverages. Reaction energies and activation barriers for C-H bond activation in DME to form methoxymethyl and hydroxyl surface intermediates show that this step is more favorable than the activation of C-O bonds to form two methoxides, consistent with measured rates and kinetic isotope effects. This kinetic preference is driven by the greater stability of the CH3OCH2* and OH* intermediates relative to chemisorbed methoxides. Experimental activation barriers on Pt clusters agree with density functional theory (DFT)-derived barriers on oxygen-covered Pt(111). Measured DME turnover rates increased with increasing DME pressure, but decreased as the O2 pressure increased, because vacancies (*) on Pt surfaces nearly saturated with chemisorbed oxygen are required for DME chemisorption. DFT calculations show that although these surface vacancies are required, higher oxygen coverages lead to lower C-H activation barriers, because the basicity of oxygen adatoms increases with coverage and they become more effective in hydrogen abstraction from DME. Water inhibits reaction rates via quasi-equilibrated adsorption on vacancy sites, consistent with DFT results indicating that water binds more strongly than DME on vacancies. These conclusions are consistent with the measured kinetic response of combustion rates to DME, O2, and H2O, with H/D kinetic isotope effects, and with the absence of isotopic scrambling in reactants containing isotopic mixtures of 18O2-16O2 or 12CH3O12CH3-13CH3O13CH3. Turnover rates increased with Pt cluster size, because small clusters, with more coordinatively unsaturated surface atoms, bind oxygen atoms more strongly than larger clusters and exhibit lower steady-state vacancy concentrations and a consequently smaller number of adsorbed DME intermediates involved in kinetically relevant steps. These effects of cluster size and metal-oxygen bond energies on reactivity are ubiquitous in oxidation reactions requiring vacancies on surfaces nearly saturated with intermediates derived from O2.

Kinetics of successive seeding of monodisperse polystyrene latexes. I - Initiation via potassium persulfate. II - Azo initiators with and without inhibitors

NASA Technical Reports Server (NTRS)

Sudol, E. D.; El-Aasser, M. S.; Vanderhoff, J. W.

1986-01-01

The polymerization kinetics of monodisperse polystyrene latexes with diameters of 1 micron are studied. The monodisperse latexes were prepared by the successive seeding method using 1 mM K2S2O8 with an 8 percent emulsifier surface coverage and 0.5 mM K2S2O8 with a 4 percent emulsifier surface coverage, and the kinetics were measured in a piston/cylinder dialometer. The data reveal that the polymerization rate decreases with increasing particle size; and the surface charge decreases with increasing particle size. The effects of initiators (AIBN and AMBN) and inhibitors (NH24SCN, NaNO2, and hydroquinone) on the product monodispersity and polymerization kinetics of latexes with diameters greater than 1 micron are investigated in a second experiment. It is observed that hydroquinone combined with AMBN are most effective in reducing nucleation without causing flocculation. It is noted that the kinetic transition from emulsion to bulk is complete for a particle size exceeding 1 micron in which the polymerization rate is independent of the particle size.

Relationships between surface coverage ratio and powder mechanics of binary adhesive mixtures for dry powder inhalers.

PubMed

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

2018-04-25

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

A simple model for the evolution of melt pond coverage on permeable Arctic sea ice

NASA Astrophysics Data System (ADS)

Popović, Predrag; Abbot, Dorian

2017-05-01

As the melt season progresses, sea ice in the Arctic often becomes permeable enough to allow for nearly complete drainage of meltwater that has collected on the ice surface. Melt ponds that remain after drainage are hydraulically connected to the ocean and correspond to regions of sea ice whose surface is below sea level. We present a simple model for the evolution of melt pond coverage on such permeable sea ice floes in which we allow for spatially varying ice melt rates and assume the whole floe is in hydrostatic balance. The model is represented by two simple ordinary differential equations, where the rate of change of pond coverage depends on the pond coverage. All the physical parameters of the system are summarized by four strengths that control the relative importance of the terms in the equations. The model both fits observations and allows us to understand the behavior of melt ponds in a way that is often not possible with more complex models. Examples of insights we can gain from the model are that (1) the pond growth rate is more sensitive to changes in bare sea ice albedo than changes in pond albedo, (2) ponds grow slower on smoother ice, and (3) ponds respond strongest to freeboard sinking on first-year ice and sidewall melting on multiyear ice. We also show that under a global warming scenario, pond coverage would increase, decreasing the overall ice albedo and leading to ice thinning that is likely comparable to thinning due to direct forcing. Since melt pond coverage is one of the key parameters controlling the albedo of sea ice, understanding the mechanisms that control the distribution of pond coverage will help improve large-scale model parameterizations and sea ice forecasts in a warming climate.

Adsorption of benzyldimethylhexadecylammonium chloride at the hydrophobic silica-water interface studied by total internal reflection Raman spectroscopy: effects of silica surface properties and metal salt addition.

PubMed

Grenoble, Zlata; Baldelli, Steven

2013-08-29

The adsorption of the cationic surfactant benzyldimethylhexadecylammonium (BDMHA(+)) chloride was studied at an octadecyltrichlorosilane (OTS)-monolayer-modified silica-water interface by Raman spectroscopy in total internal reflection (TIR) geometry. The present study demonstrates the capabilities of this spectroscopic technique to evaluate thermodynamic and kinetic BDMHA(+)Cl(-) adsorption properties at the hydrophobic silica surface. The surface coverage of BDMHA(+) decreased by 50% at the hydrophobic OTS-silica surface relative to the surface coverage on bare silica; the dominating driving mechanisms for surfactant adsorption were identified as hydrophobic effects and head group charge screening by the electrolyte counterions. Addition of magnesium metal salt (MgCl2) to the aqueous solution (∼ neutral pH) lowered the surface coverage and moderately increased the Langmuir adsorption constants relative to those of the pure surfactant. These trends were previously observed at the hydrophilic, negatively charged silica surface but with a smaller change in the Gibbs free energy of adsorption at the hydrophobic silica surface. The hydrophobic OTS-silica surface properties resulted in shorter times for the surfactant to reach steady-state adsorption conditions compared to the slow adsorption kinetics previously seen with the surfactant at the hydrophilic surface. Adsorption isotherms, based on Raman signal intensities from spectral analysis, were developed according to the Langmuir adsorption model for the pure surfactant at the OTS-silica-water interface; the modified Langmuir model was applied to the surfactant adsorption in the presence of 5, 10, 50, and 100 mM magnesium chloride. Spectral analysis of the Raman scattering intensities and geometric considerations suggests a hemimicelle-type surface aggregate as the most likely surfactant structure at the OTS-silica surface. The different kinetics observed at the hydrophilic versus the hydrophobic silica surface further indicate that the surface charge and potential influence the surfactant diffusion and kinetic rates of adsorption at the silica-water interface.

Local modification of the surface state properties at dilute coverages: CO/Cu(111)

NASA Astrophysics Data System (ADS)

Zaum, Ch.; Meyer-auf-der-Heide, K. M.; Morgenstern, K.

2018-04-01

We follow the diffusion of CO molecules on Cu(111) by time-lapsed low-temperature scanning tunneling microscopy. The diffusivity of individual CO molecules oscillates with the distance to its nearest neighbor due to the long-range interaction mediated by the surface state electrons. The markedly different wavelengths of the oscillation at a coverage of 0.6% ML as compared to the one at 6% ML coverage correspond to two different wavelengths of the surface state electrons, consistent with a shift of the surface state by 340 meV. This surprisingly large shift as compared to results of averaging methods suggests a local modification of the surface state properties.

Gelation And Mechanical Response of Patchy Rods

NASA Astrophysics Data System (ADS)

Kazem, Navid; Majidi, Carmel; Maloney, Craig

We perform Brownian Dynamics simulations to study the gelation of suspensions of attractive, rod-like particles. We show that details of the particle-particle interactions can dramatically affect the dynamics of gelation and the structure and mechanics of the networks that form. If the attraction between the rods is perfectly smooth along their length, they will collapse into compact bundles. If the attraction is sufficiently corrugated or patchy, over time, a rigid space spanning network forms. We study the structure and mechanical properties of the networks that form as a function of the fraction of the surface that is allowed to bind. Surprisingly, the structural and mechanical properties are non-monotonic in the surface coverage. At low coverage, there are not a sufficient number of cross-linking sites to form networks. At high coverage, rods bundle and form disconnected clusters. At intermediate coverage, robust networks form. The elastic modulus and yield stress are both non-monotonic in the surface coverage. The stiffest and strongest networks show an essentially homogeneous deformation under strain with rods re-orienting along the extensional axis. Weaker, clumpy networks at high surface coverage exhibit relatively little re-orienting with strong non-affine deformation. These results suggest design strategies for tailoring surface interactions between rods to yield rigid networks with optimal properties. National Science Foundation and the Air Force Office of Scientific Research.

Enhanced surface modification engineering (H, F, Cl, Br, and NO{sub 2}) of CdS nanowires with and without surface dangling bonds

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

Zeng, Yijie; Xing, Huaizhong, E-mail: xinghz@dhu.edu.cn; Lu, Aijiang

2015-08-07

Semiconductor nanowires (NWs) can be applied in gas sensing and cell detection, but the sensing mechanism is not clearly understood. In this study, surface modification effect on the electronic properties of CdS NWs for different diameters with several species (H, F, Cl, Br, and NO{sub 2}) is investigated by first principles calculations. The surface dangling bonds and halogen elements are chosen to represent the environment of the surface. Halogen passivation drastically changes the band gaps due to the strong electronegativity and the energy level of halogen atoms. Density of states analysis indicates that valence band maximum (VBM) of halogen-passivated NWsmore » is formed by the p states of halogen atoms, while VBM of H-passivated NWs is originated from Cd 4d and S 3p orbitals. To illustrate that surface modification can be applied in gas sensing, NO{sub 2}-absorbed NWs with different coverage are calculated. Low coverage of NO{sub 2} introduces a deep p-type dopant-like level, while high coverage introduces a shallow n-type dopant-like level into the band structure. The transformation is due to that at low coverage the adsorption is chemical while at high coverage is physical. These findings might promote the understanding of surface modification effect and the sensing mechanism of NWs as gas sensors.« less

Platelet-rich-fibrin: A novel root coverage approach

PubMed Central

Anilkumar, K.; Geetha, A.; Umasudhakar; Ramakrishnan, T; Vijayalakshmi, R; Pameela, E.

2009-01-01

Treatment of gingival recession has become an important therapeutic issue due to increasing cosmetic demand. Multiple surgical procedures have been developed to obtain predictable esthetic root coverage. More specifically, after periodontal regenerative surgery, the aim is to achieve complete wound healing and regeneration of the periodontal unit. A recent innovation in dentistry is the preparation and use of platelet-rich plasma (PRP), a concentrated suspension of the growth factors, found in platelets. These growth factors are involved in wound healing and postulated as promoters of tissue regeneration. This paper reports the use of PRF membrane for root coverage on the labial surfaces of the mandibular anterior teeth. This was accomplished using laterally displaced flap technique with platelet rich fibrin (PRF) membrane at the recipient site. PMID:20376243

[Dynamics of soil physical properties and biological soil crust during the vegetation restoration process of abandoned croplands in the Ordos Plateau, China].

PubMed

Cai, Wen Tao; Li, He Yi; Lai, Li Ming; Zhang, Xiao Long; Guan, Tian Yu; Zhou, Ji Hua; Jiang, Lian He; Zheng, Yuan Run

2017-03-18

A series of typical abandoned croplands in the regions of Ruanliang and Yingliang in the Ordos Plateau, China, were selected, and dynamics of the surface litter, biological soil crust and soil bulk density, soil texture, and soil moisture in different soil layers were investigated. The results showed that in the abandoned cropland in Ruanliang, the clay particle content and surface litter of the surface soil layer (0-10 cm) increased during the restoration process, while that of soil bulk density substantially decreased and soil water content slightly increased in the surface soil. In the medium soil layer (10-30 cm), the clay particle content increased and the soil water content slightly decreased. In the deep soil layer (30-50 cm), there was a relatively large variation in the physical properties. In the abandoned cropland in Yingliang, the coverage of litter and the coverage and thickness of the biological soil crust increased during the abandonment process. The surface soil bulk density, soil clay particle content and soil water content remained constant in 0-10 cm soil layer, while the physical properties varied substantially in 10-40 cm soil layer. The shallow distribution of the soil water content caused by the accumulation of the litter and clay particles on the soil surface might be the key reason of the replacement of the semi-shrub Artemisia ordosica community with a perennial grass community over the last 20 years of the abandoned cropland in Ruanliang. The relatively high soil water content in the shallow layer and the development of the biological soil crust might explain why the abandoned cropland in Yingliang was not invaded by the semi-shrub A. ordosica during the restoration process.

Modulation of glacier ablation by tephra coverage from Eyjafjallajökull and Grímsvötn volcanoes, Iceland: an automated field experiment

NASA Astrophysics Data System (ADS)

Möller, Rebecca; Möller, Marco; Kukla, Peter A.; Schneider, Christoph

2018-01-01

We report results from a field experiment investigating the influence of volcanic tephra coverage on glacier ablation. These influences are known to be significantly different from those of moraine debris on glaciers due to the contrasting grain size distribution and thermal conductivity. Thus far, the influences of tephra deposits on glacier ablation have rarely been studied. For the experiment, artificial plots of two different tephra types from Eyjafjallajökull and Grímsvötn volcanoes were installed on a snow-covered glacier surface of Vatnajökull ice cap, Iceland. Snow-surface lowering and atmospheric conditions were monitored in summer 2015 and compared to a tephra-free reference site. For each of the two volcanic tephra types, three plots of variable thickness ( ˜ 1.5, ˜ 8.5 and ˜ 80 mm) were monitored. After limiting the records to a period of reliable measurements, a 50-day data set of hourly records was obtained, which can be downloaded from the Pangaea data repository (https://www.pangaea.de; doi:10.1594/PANGAEA.876656). The experiment shows a substantial increase in snow-surface lowering rates under the ˜ 1.5 and ˜ 8.5 mm tephra plots when compared to uncovered conditions. Under the thick tephra cover some insulating effects could be observed. These results are in contrast to other studies which depicted insulating effects for much thinner tephra coverage on bare-ice glacier surfaces. Differences between the influences of the two different petrological types of tephra exist but are negligible compared to the effect of tephra coverage overall.

The effect of EDTA in attachment gain and root coverage.

PubMed

Kassab, Moawia M; Cohen, Robert E; Andreana, Sebastiano; Dentino, Andrew R

2006-06-01

Root surface biomodification using low pH agents such as citric acid and tetracycline has been proposed to enhance root coverage following connective tissue grafting. The authors hypothesized that root conditioning with neutral pH edetic acid would improve vertical recession depth, root surface coverage, pocket depth, and clinical attachment levels. Twenty teeth in 10 patients with Miller class I and II recession were treated with connective tissue grafting. The experimental sites received 24% edetic acid in sterile distilled water applied to the root surface for 2 minutes before grafting. Controls were pretreated with only sterile distilled water. Measurements were evaluated before surgery and 6 months after surgery. Analysis of variance was used to determine differences between experimental and control groups. We found significant postoperative improvements in vertical recession depth, root surface coverage, and clinical attachment levels in test and control groups, compared to postoperative data. Pocket depth differences were not significant (P<.01).

Wet formation and structural characterization of quasi-hexagonal monolayers.

PubMed

Batys, Piotr; Weroński, Paweł; Nosek, Magdalena

2016-01-01

We have presented a simple and efficient method for producing dense particle monolayers with controlled surface coverage. The method is based on particle sedimentation, manipulation of the particle-substrate electrostatic interaction, and gentle mechanical vibration of the system. It allows for obtaining quasi-hexagonal structures under wet conditions. Using this method, we have produced a monolayer of 3 μm silica particles on a glassy carbon substrate. By optical microscopy, we have determined the coordinates of the particles and surface coverage of the obtained structure to be 0.82. We have characterized the monolayer structure by means of the pair-correlation function and power spectrum. We have also compared the results with those for a 2D hexagonal monolayer and monolayer generated by random sequential adsorption at the coverage 0.50. We have found the surface fractal dimension to be 2.5, independently of the monolayer surface coverage. Copyright © 2015 Elsevier Inc. All rights reserved.

Monte-Carlo modelling of nano-material photocatalysis: bridging photocatalytic activity and microscopic charge kinetics.

PubMed

Liu, Baoshun

2016-04-28

In photocatalysis, it is known that light intensity, organic concentration, and temperature affect the photocatalytic activity by changing the microscopic kinetics of holes and electrons. However, how the microscopic kinetics of holes and electrons relates to the photocatalytic activity was not well known. In the present research, we developed a Monte-Carlo random walking model that involved all of the charge kinetics, including the photo-generation, the recombination, the transport, and the interfacial transfer of holes and electrons, to simulate the overall photocatalytic reaction, which we called a "computer experiment" of photocatalysis. By using this model, we simulated the effect of light intensity, temperature, and organic surface coverage on the photocatalytic activity and the density of the free electrons that accumulate in the simulated system. It was seen that the increase of light intensity increases the electron density and its mobility, which increases the probability for a hole/electron to find an electron/hole for recombination, and consequently led to an apparent kinetics that the quantum yield (QY) decreases with the increase of light intensity. It was also seen that the increase of organic surface coverage could increase the rate of hole interfacial transfer and result in the decrease of the probability for an electron to recombine with a hole. Moreover, the increase of organic coverage on the nano-material surface can also increase the accumulation of electrons, which enhances the mobility for electrons to undergo interfacial transfer, and finally leads to the increase of photocatalytic activity. The simulation showed that the temperature had a more complicated effect, as it can simultaneously change the activation of electrons, the interfacial transfer of holes, and the interfacial transfer of electrons. It was shown that the interfacial transfer of holes might play a main role at low temperature, with the temperature-dependence of QY conforming to the Arrhenius model. The activation of electrons from the traps to the conduction band might become important at high temperature, which accelerates the electron movement for recombination and leads to a temperature dependence of QY that deviates from the Arrhenius model.

Adsorption of Poly(methyl methacrylate) on Concave Al2O3 Surfaces in Nanoporous Membranes

PubMed Central

Nunnery, Grady; Hershkovits, Eli; Tannenbaum, Allen; Tannenbaum, Rina

2009-01-01

The objective of this study was to determine the influence of polymer molecular weight and surface curvature on the adsorption of polymers onto concave surfaces. Poly(methyl methacrylate) (PMMA) of various molecular weights was adsorbed onto porous aluminum oxide membranes having various pore sizes, ranging from 32 to 220 nm. The surface coverage, expressed as repeat units per unit surface area, was observed to vary linearly with molecular weight for molecular weights below ~120 000 g/mol. The coverage was independent of molecular weight above this critical molar mass, as was previously reported for the adsorption of PMMA on convex surfaces. Furthermore, the coverage varied linearly with pore size. A theoretical model was developed to describe curvature-dependent adsorption by considering the density gradient that exists between the surface and the edge of the adsorption layer. According to this model, the density gradient of the adsorbed polymer segments scales inversely with particle size, while the total coverage scales linearly with particle size, in good agreement with experiment. These results show that the details of the adsorption of polymers onto concave surfaces with cylindrical geometries can be used to calculate molecular weight (below a critical molecular weight) if pore size is known. Conversely, pore size can also be determined with similar adsorption experiments. Most significantly, for polymers above a critical molecular weight, the precise molecular weight need not be known in order to determine pore size. Moreover, the adsorption developed and validated in this work can be used to predict coverage also onto surfaces with different geometries. PMID:19415910

Controlling Protein Surface Orientation by Strategic Placement of Oligo-Histidine Tags

PubMed Central

2017-01-01

We report oriented immobilization of proteins using the standard hexahistidine (His6)-Ni2+:NTA (nitrilotriacetic acid) methodology, which we systematically tuned to give control of surface coverage. Fluorescence microscopy and surface plasmon resonance measurements of self-assembled monolayers (SAMs) of red fluorescent proteins (TagRFP) showed that binding strength increased by 1 order of magnitude for each additional His6-tag on the TagRFP proteins. All TagRFP variants with His6-tags located on only one side of the barrel-shaped protein yielded a 1.5 times higher surface coverage compared to variants with His6-tags on opposite sides of the so-called β-barrel. Time-resolved fluorescence anisotropy measurements supported by polarized infrared spectroscopy verified that the orientation (and thus coverage and functionality) of proteins on surfaces can be controlled by strategic placement of a His6-tag on the protein. Molecular dynamics simulations show how the differently tagged proteins reside at the surface in “end-on” and “side-on” orientations with each His6-tag contributing to binding. Also, not every dihistidine subunit in a given His6-tag forms a full coordination bond with the Ni2+:NTA SAMs, which varied with the position of the His6-tag on the protein. At equal valency but different tag positions on the protein, differences in binding were caused by probing for Ni2+:NTA moieties and by additional electrostatic interactions between different fractions of the β-barrel structure and charged NTA moieties. Potential of mean force calculations indicate there is no specific single-protein interaction mode that provides a clear preferential surface orientation, suggesting that the experimentally measured preference for the end-on orientation is a supra-protein, not a single-protein, effect. PMID:28850777

Adsorption of acrolein, propanal, and allyl alcohol on Pd(111): a combined infrared reflection–absorption spectroscopy and temperature programmed desorption study

PubMed Central

Dostert, Karl-Heinz; O'Brien, Casey P.; Mirabella, Francesca; Ivars-Barceló, Francisco

2016-01-01

Atomistic-level understanding of the interaction of α,β-unsaturated aldehydes and their derivatives with late transition metals is of fundamental importance for the rational design of new catalytic materials with the desired selectivity towards C 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 1111111111111111111111111111111111 1111111111111111111111111111111111 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 0000000000000000000000000000000000 C vs. CO bond partial hydrogenation. In this study, we investigate the interaction of acrolein, and its partial hydrogenation products propanal and allyl alcohol, with Pd(111) as a prototypical system. A combination of infrared reflection–absorption spectroscopy (IRAS) and temperature programmed desorption (TPD) experiments was applied under well-defined ultrahigh vacuum (UHV) conditions to obtain detailed information on the adsorption geometries of acrolein, propanal, and allyl alcohol as a function of coverage. We compare the IR spectra obtained for multilayer coverages, reflecting the molecular structure of unperturbed molecules, with the spectra acquired for sub-monolayer coverages, at which the chemical bonds of the molecules are strongly distorted. Coverage-dependent IR spectra of acrolein on Pd(111) point to the strong changes in the adsorption geometry with increasing acrolein coverage. Acrolein adsorbs with the CC and CO bonds lying parallel to the surface in the low coverage regime and changes its geometry to a more upright orientation with increasing coverage. TPD studies indicate decomposition of the species adsorbed in the sub-monolayer regime upon heating. Similar strong coverage dependence of the IR spectra were found for propanal and allyl alcohol. For all investigated molecules a detailed assignment of vibrational bands is reported. PMID:27149902

Photochemical Modification of Single Crystalline GaN Film Using n-Alkene with Different Carbon Chain Lengths as Biolinker.

PubMed

Wang, Chun; Zhuang, Hao; Huang, Nan; Heuser, Steffen; Schlemper, Christoph; Zhai, Zhaofeng; Liu, Baodan; Staedler, Thorsten; Jiang, Xin

2016-06-14

As a potential material for biosensing applications, gallium nitride (GaN) films have attracted remarkable attention. In order to construct GaN biosensors, a corresponding immobilization of biolinkers is of great importance in order to render a surface bioactive. In this work, two kinds of n-alkenes with different carbon chain lengths, namely allylamine protected with trifluoroacetamide (TFAAA) and 10-aminodec-1-ene protected with trifluoroacetamide (TFAAD), were used to photochemically functionalize single crystalline GaN films. The successful linkage of both TFAAA and TFAAD to the GaN films is confirmed by time-of-flight secondary ion mass spectrometry (ToF-SIMS) measurement. With increased UV illumination time, the intensity of the secondary ions corresponding to the linker molecules initially increases and subsequently decreases in both cases. Based on the SIMS measurements, the maximum coverage of TFAAA is achieved after 14 h of UV illumination, while only 2 h is required in the case of TFAAD to reach the situation of a fully covered GaN surface. This finding leads to the conclusion that the reaction rate of TFAAD is significantly higher compared to TFAAA. Measurements by atomic force microscopy (AFM) indicate that the coverage of GaN films by a TFAAA layer leads to an increased surface roughness. The atomic terraces, which are clearly observable for the pristine GaN films, disappear once the surface is fully covered by a TFAAA layer. Such TFAAA layers will feature a homogeneous surface topography even for reaction times of 24 h. In contrast to this, TFAAD shows strong cross-polymerization on the surface, this is confirmed by optical microscopy. These results demonstrate that TFAAA is a more suitable candidate as biolinker in context of the GaN surfaces due to its improved controllability.

Reverse Non-Equilibrium Molecular Dynamics Demonstrate That Surface Passivation Controls Thermal Transport at Semiconductor-Solvent Interfaces.

PubMed

Hannah, Daniel C; Gezelter, J Daniel; Schaller, Richard D; Schatz, George C

2015-06-23

We examine the role played by surface structure and passivation in thermal transport at semiconductor/organic interfaces. Such interfaces dominate thermal transport in semiconductor nanomaterials owing to material dimensions much smaller than the bulk phonon mean free path. Utilizing reverse nonequilibrium molecular dynamics simulations, we calculate the interfacial thermal conductance (G) between a hexane solvent and chemically passivated wurtzite CdSe surfaces. In particular, we examine the dependence of G on the CdSe slab thickness, the particular exposed crystal facet, and the extent of surface passivation. Our results indicate a nonmonotonic dependence of G on ligand-grafting density, with interfaces generally exhibiting higher thermal conductance for increasing surface coverage up to ∼0.08 ligands/Å(2) (75-100% of a monolayer, depending on the particular exposed facet) and decreasing for still higher coverages. By analyzing orientational ordering and solvent penetration into the ligand layer, we show that a balance of competing effects is responsible for this nonmonotonic dependence. Although the various unpassivated CdSe surfaces exhibit similar G values, the crystal structure of an exposed facet nevertheless plays an important role in determining the interfacial thermal conductance of passivated surfaces, as the density of binding sites on a surface determines the ligand-grafting densities that may ultimately be achieved. We demonstrate that surface passivation can increase G relative to a bare surface by roughly 1 order of magnitude and that, for a given extent of passivation, thermal conductance can vary by up to a factor of ∼2 between different surfaces, suggesting that appropriately tailored nanostructures may direct heat flow in an anisotropic fashion for interface-limited thermal transport.

Intervalence transfer of ferrocene moieties adsorbed on electrode surfaces by a conjugated linkage

NASA Astrophysics Data System (ADS)

Chen, Wei; Brown, Lauren E.; Konopelski, Joseph P.; Chen, Shaowei

2009-03-01

Effective intervalence transfer occurred between the metal centers of ferrocene moieties that were adsorbed onto a ruthenium thin film surface by ruthenium-carbene π bonds, a direct verification of Hush's four-decade-old prediction. Electrochemical measurements showed two pairs of voltammetric peaks where the separation of the formal potentials suggested a Class II behavior. Additionally, the potential spacing increased with increasing ferrocene surface coverage, most probably as a consequence of the enhanced contribution from through-space electronic interactions between the metal centers. In contrast, the incorporation of a sp 3 carbon spacer into the ferrocene-ruthenium linkage led to the diminishment of interfacial electronic communication.

Volumetrically-Derived Global Navigation Satellite System Performance Assessment from the Earths Surface through the Terrestrial Service Volume and the Space Service Volume

NASA Technical Reports Server (NTRS)

Welch, Bryan W.

2016-01-01

NASA is participating in the International Committee on Global Navigation Satellite Systems (GNSS) (ICG)'s efforts towards demonstrating the benefits to the space user from the Earth's surface through the Terrestrial Service Volume (TSV) to the edge of the Space Service Volume (SSV), when a multi-GNSS solution space approach is utilized. The ICG Working Group: Enhancement of GNSS Performance, New Services and Capabilities has started a three phase analysis initiative as an outcome of recommendations at the ICG-10 meeting, in preparation for the ICG-11 meeting. The first phase of that increasing complexity and fidelity analysis initiative was recently expanded to compare nadir-facing and zenith-facing user hemispherical antenna coverage with omnidirectional antenna coverage at different distances of 8,000 km altitude and 36,000 km altitude. This report summarizes the performance using these antenna coverage techniques at distances ranging from 100 km altitude to 36,000 km to be all encompassing, as well as the volumetrically-derived system availability metrics.

Origin of Coverage Dependence in Photoreactivity of Carboxylate on TiO2(110): Hindering by Charged Coadsorbed Hydroxyls

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

Wang, Zhitao; Henderson, Michael A.; Lyubinetsky, Igor

2015-09-30

The influence of reactant coverage on photochemical activity was explored using scanning tunneling microscopy (STM) and ultraviolet photoelectron spectroscopy (UPS). We observed diminished reactivity of carboxylate species (trimethyl acetate, TMA) on TiO2(110) as a function of increasing coverage. This effect was not linked to intermolecular interactions of TMA but to the accumulation of the coadsorbed bridging hydroxyls (HOb) deposited during (thermal) dissociative adsorption of the parent, trimethylacetic acid (TMAA). Confirmation of the hindering influence of HOb groups was obtained by the observation that HOb species originated from H2O dissociation at O-vacancy sites have a similar hindering effect on TMA photochemistry.more » Though HOb’s are photoinactive on TiO2(110) under ultrahigh vacuum conditions, UPS results show that these sites trap photoexcited electrons, which in turn likely (electrostatically) attract and neutralize photoexcited holes, thus suppressing the hole-mediated photoreactivity of TMA. This negative influence of surface hydroxyls on hole-mediated photochemistry is likely a major factor in other anaerobic photochemical processes on reducible oxide surfaces.« less

CO-CO coupling on Cu facets: Coverage, strain and field effects

DOE PAGES

Sandberg, Robert B.; Montoya, Joseph H.; Chan, Karen; ...

2016-08-21

We present a DFT study on the effect of coverage, strain, and electric field on CO-CO coupling energetics on Cu (100), (111), and (211). Our calculations indicate that CO-CO coupling is facile on all three facets in the presence of a cation-induced electric field in the Helmholtz plane, with the lowest barrier on Cu(100). The CO dimerization pathway is therefore expected to play a role in C 2 formation at potentials negative of the Cu potential of zero charge, corresponding to CO 2/CO reduction conditions at high pH. Both increased *CO coverage and tensile strain further improve C-C coupling energeticsmore » on Cu (111) and (211). Since CO dimerization is facile on all 3 Cu facets, subsequent surface hydrogenation steps may also play an important role in determining the overall activity towards C 2 products. Adsorption of *CO, *H, and *OH on the 3 facets were investigated with a Pourbaix analysis. Here, the (211) facet has the largest propensity to co-adsorb *CO and *H, which would favor surface hydrogenation following CO dimerization.« less

Cross-scale modelling of transpiration from stomata via the leaf boundary layer.

PubMed

Defraeye, Thijs; Derome, Dominique; Verboven, Pieter; Carmeliet, Jan; Nicolai, Bart

2014-09-01

Leaf transpiration is a key parameter for understanding land surface-climate interactions, plant stress and plant structure–function relationships. Transpiration takes place at the microscale level, namely via stomata that are distributed discretely over the leaf surface with a very low surface coverage (approx. 0·2-5%). The present study aims to shed more light on the dependency of the leaf boundary-layer conductance (BLC) on stomatal surface coverage and air speed. An innovative three-dimensional cross-scale modelling approach was applied to investigate convective mass transport from leaves, using computational fluid dynamics. The gap between stomatal and leaf scale was bridged by including all these scales in the same computational model (10⁻⁵-10⁻¹ m), which implies explicitly modelling individual stomata. BLC was strongly dependent on stomatal surface coverage and air speed. Leaf BLC at low surface coverage ratios (CR), typical for stomata, was still relatively high, compared with BLC of a fully wet leaf (hypothetical CR of 100%). Nevertheless, these conventional BLCs (CR of 100%), as obtained from experiments or simulations on leaf models, were found to overpredict the convective exchange. In addition, small variations in stomatal CR were found to result in large variations in BLCs. Furthermore, stomata of a certain size exhibited a higher mass transfer rate at lower CRs. The proposed cross-scale modelling approach allows us to increase our understanding of transpiration at the sub-leaf level as well as the boundary-layer microclimate in a way currently not feasible experimentally. The influence of stomatal size, aperture and surface density, and also flow-field parameters can be studied using the model, and prospects for further improvement of the model are presented. An important conclusion of the study is that existing measures of conductances (e.g. from artificial leaves) can be significantly erroneous because they do not account for microscopic stomata, but instead assume a uniform distribution of evaporation such as found for a fully-wet leaf. The model output can be used to correct or upgrade existing BLCs or to feed into higher-scale models, for example within a multiscale framework.

Coverage Dependent Assembly of Anthraquinone on Au(111)

NASA Astrophysics Data System (ADS)

Conrad, Brad; Deloach, Andrew; Einstein, Theodore; Dougherty, Daniel

A study of adsorbate-adsorbate and surface state mediated interactions of anthraquinone (AnQ) on Au(111) is presented. We utilize scanning tunneling microscopy (STM) to characterize the coverage dependence of AnQ structure formation. Ordered structures are observed up to a single monolayer (ML) and are found to be strongly dependent on molecular surface density. While the complete ML forms a well-ordered close-packed layer, for a narrow range of sub-ML coverages irregular close-packed islands are observed to coexist with a disordered pore network linking neighboring islands. This network displays a characteristic pore size and at lower coverages, the soliton walls of the herringbone reconstruction are shown to promote formation of distinct pore nanostructures. We will discuss these nanostructure formations in the context of surface mediated and more direct adsorbate interactions.

[Responses of alpine grassland landscape in the source region of Shule River Basin to topographical factors and frozen ground types].

PubMed

Chen, Jian-Jun; Yi, Shu-Hua; Qin, Yu; Wang, Xiao-Yun

2014-06-01

This paper retrieved the fractional vegetation cover of alpine grassland in the source region of the Shule River Basin based on Chinese environmental satellite (HJ-1A/1B) images and field data, and analyzed the response of the vegetation cover to topographic factors and types of frozen ground. The results showed that the vegetation coverage of this region was low with large spatial heterogeneity and high degree of dispersion. The landscape consisted mainly of non-vegetation surface types, eg. ice, snow, the bare rock gravel land and bare land. Slopes and aspects were the main limiting factors of vegetation distribution. The average vegetation coverage decreased with the increase of slope. The average vegetation coverage was the lowest on the sunny slope, and the highest on the shady slope. There were significant differences of vegetation coverage among different types of frozen ground. The distribution of vegetation coverage presented a reversed "U" curve trend by extremely stable permafrost, stable permafrost, sub-stable permafrost, transition permafrost, unstable permafrost and seasonal frost, and the average vegetation coverage was the highest in the sub-stable permafrost.

Biolayer modeling and optimization for the SPARROW biosensor

NASA Astrophysics Data System (ADS)

Feng, Ke

2007-12-01

Biosensor direct detection of molecular binding events is of significant interest in applications from molecular screening for cancer drug design to bioagent detection for homeland security and defense. The Stacked Planar Affinity Regulated Resonant Optical Waveguide (SPARROW) structure based on coupled waveguides was recently developed to achieve increased sensitivity within a fieldable biosensor device configuration. Under ideal operating conditions, modification of the effective propagation constant of the structure's sensing waveguide through selective attachment of specific targets to probes on the waveguide surface results in a change in the coupling characteristics of the guide over a specifically designed interaction length with the analyte. Monitoring the relative power in each waveguide after interaction enables 'recognition' of those targets which have selectively bound to the surface. However, fabrication tolerances, waveguide interface roughness, biolayer surface roughness and biolayer partial coverage have an effect on biosensor behavior and achievable limit of detection (LOD). In addition to these influences which play a role in device optimization, the influence of the spatially random surface loading of molecular binding events has to be considered, especially for low surface coverage. In this dissertation an analytic model is established for the SPARROW biosensor which accounts for these nonidealities with which the design of the biosensor can be guided and optimized. For the idealized case of uniform waveguide transducer layers and biolayer, both theoretical simulation (analytical expression) and computer simulation (numerical calculation) are completed. For the nonideal case of an inhomogeneous transducer with nonideal waveguide and biolayer surfaces, device output power is affected by such physical influences as surface scattering, coupling length, absorption, and percent coverage of binding events. Using grating and perturbation techniques we explore the influence of imperfect surfaces and random surface loading on scattering loss and coupling length. Results provide a range of achievable limits of detection in the SPARROW device for a given target size, surface loading, and detectable optical power.

Angle-resolved and core-level photoemission study of interfacing the topological insulator Bi1.5Sb0.5Te1.7Se1.3 with Ag, Nb, and Fe

NASA Astrophysics Data System (ADS)

de Jong, N.; Frantzeskakis, E.; Zwartsenberg, B.; Huang, Y. K.; Wu, D.; Hlawenka, P.; Sańchez-Barriga, J.; Varykhalov, A.; van Heumen, E.; Golden, M. S.

2015-08-01

Interfaces between a bulk-insulating topological insulator (TI) and metallic adatoms have been studied using high-resolution, angle-resolved, and core-level photoemission. Fe, Nb, and Ag were evaporated onto Bi1 .5Sb0 .5Te1 .7Se1 .3 (BSTS) surfaces both at room temperature and 38 K. The coverage and temperature dependence of the adsorption and interfacial formation process have been investigated, highlighting the effects of the overlayer growth on the occupied electronic structure of the TI. For all coverages at room temperature and for those equivalent to less than 0.2 monolayer at low temperature all three metals lead to a downward shift of the TI bands with respect to the Fermi level. At room temperature Ag appears to intercalate efficiently into the van der Waals gap of BSTS, accompanied by low-level substitution for the Te/Se atoms of the termination layer of the crystal. This Te/Se substitution with silver increases significantly for low temperature adsorption, and can even dominate the electrostatic environment of the Bi/Sb atoms in the BSTS near-surface region. On the other hand, Fe and Nb evaporants remain close to the termination layer of the crystal. On room temperature deposition, they initially substitute isoelectronically for Bi as a function of coverage, before substituting for Te/Se atoms. For low temperature deposition, Fe and Nb are too immobile for substitution processes and show a behavior consistent with clustering on the surface. For both Ag and Fe/Nb, these differing adsorption pathways still lead to the qualitatively similar and remarkable behavior for low temperature deposition that the chemical potential first moves downward (p -type dopant behavior) and then upward (n -type behavior) on increasing coverage.

Theoretical study of the ammonia nitridation rate on an Fe (100) surface: a combined density functional theory and kinetic Monte Carlo study.

PubMed

Yeo, Sang Chul; Lo, Yu Chieh; Li, Ju; Lee, Hyuck Mo

2014-10-07

Ammonia (NH3) nitridation on an Fe surface was studied by combining density functional theory (DFT) and kinetic Monte Carlo (kMC) calculations. A DFT calculation was performed to obtain the energy barriers (Eb) of the relevant elementary processes. The full mechanism of the exact reaction path was divided into five steps (adsorption, dissociation, surface migration, penetration, and diffusion) on an Fe (100) surface pre-covered with nitrogen. The energy barrier (Eb) depended on the N surface coverage. The DFT results were subsequently employed as a database for the kMC simulations. We then evaluated the NH3 nitridation rate on the N pre-covered Fe surface. To determine the conditions necessary for a rapid NH3 nitridation rate, the eight reaction events were considered in the kMC simulations: adsorption, desorption, dissociation, reverse dissociation, surface migration, penetration, reverse penetration, and diffusion. This study provides a real-time-scale simulation of NH3 nitridation influenced by nitrogen surface coverage that allowed us to theoretically determine a nitrogen coverage (0.56 ML) suitable for rapid NH3 nitridation. In this way, we were able to reveal the coverage dependence of the nitridation reaction using the combined DFT and kMC simulations.

Kinetically controlled indium surface coverage effects on PAMBE-growth of InN/GaN(0001) quantum well structures

NASA Astrophysics Data System (ADS)

Li, Chen; Maidaniuk, Yurii; Kuchuk, Andrian V.; Shetty, Satish; Ghosh, Pijush; White, Thomas P.; Morgan, Timothy Al.; Hu, Xian; Wu, Yang; Ware, Morgan E.; Mazur, Yuriy I.; Salamo, Gregory J.

2018-05-01

We report the effects of nitrogen (N) plasma and indium (In) flux on the In adatom adsorption/desorption kinetics on a GaN(0001) surface at the relatively high plasma-assisted molecular beam epitaxy-growth temperature of 680 °C. We experimentally demonstrate that under an active N flux, the (√{3 }×√{3 })R 30 ° surface reconstruction containing In and N quickly appears and the dynamically stable In adlayers sitting on this surface exhibit a continuous change from 0 to 2 MLs as a function of In flux. Compared to the bare GaN 1 ×1 surface which is stable during In exposure without an active N flux, we observed a much faster desorption for the bottom In adlayer and the absence of an In flux window corresponding to an In coverage of 1 ML. Moreover, when the In coverage exceeds 2 MLs, the desorption rates become identical for both surfaces. Finally, the importance of In surface coverage before GaN capping was shown by growing a series of InN/GaN multiple quantum well samples. The photoluminescence data show that a consistent quantum well structure is only formed if the surface is covered by excess In droplets before GaN capping.

A temperature-programmed X-ray photoelectron spectroscopy (TPXPS) study of chlorine adsorption and diffusion on Ag(1 1 1)

NASA Astrophysics Data System (ADS)

Piao, H.; Adib, K.; Barteau, Mark A.

2004-05-01

Synchrotron-based temperature programmed X-ray photoelectron spectroscopy (TPXPS) has been used to investigate the surface chloridation of Ag(1 1 1) to monolayer coverages. At 100 K both atomic and molecular chlorine species are present on the surface; adsorption at 300 K or annealing the adlayer at 100 K to this temperature generates adsorbed Cl atoms. As the surface is heated from 300 to 600 K, chlorine atoms diffuse below the surface, as demonstrated by attenuation of the Cl2p signals in TPXPS experiments. Quantitative analysis of the extent of attenuation is consistent with chlorine diffusion below the topmost silver layer. For coverages in the monolayer and sub-monolayer regime, chlorine diffusion to and from the bulk appears not to be significant, in contrast to previous results obtained at higher chlorine loadings. Chlorine is removed from the surface at 650-780 K by desorption as AgCl. These results demonstrate that chlorine diffusion beneath the surface does occur at coverages and temperatures relevant to olefin epoxidation processes carried out on silver catalysts with chlorine promoters. The surface sensitivity advantages of synchrotron-based XPS experiments were critical to observing Cl diffusion to the sub-surface at low coverages.

Improving the Yule-Nielsen modified Neugebauer model by dot surface coverages depending on the ink superposition conditions

NASA Astrophysics Data System (ADS)

Hersch, Roger David; Crété, Frédérique

2004-12-01

Dot gain is different when dots are printed alone, printed in superposition with one ink or printed in superposition with two inks. In addition, the dot gain may also differ depending on which solid ink the considered halftone layer is superposed. In a previous research project, we developed a model for computing the effective surface coverage of a dot according to its superposition conditions. In the present contribution, we improve the Yule-Nielsen modified Neugebauer model by integrating into it our effective dot surface coverage computation model. Calibration of the reproduction curves mapping nominal to effective surface coverages in every superposition condition is carried out by fitting effective dot surfaces which minimize the sum of square differences between the measured reflection density spectra and reflection density spectra predicted according to the Yule-Nielsen modified Neugebauer model. In order to predict the reflection spectrum of a patch, its known nominal surface coverage values are converted into effective coverage values by weighting the contributions from different reproduction curves according to the weights of the contributing superposition conditions. We analyze the colorimetric prediction improvement brought by our extended dot surface coverage model for clustered-dot offset prints, thermal transfer prints and ink-jet prints. The color differences induced by the differences between measured reflection spectra and reflection spectra predicted according to the new dot surface estimation model are quantified on 729 different cyan, magenta, yellow patches covering the full color gamut. As a reference, these differences are also computed for the classical Yule-Nielsen modified spectral Neugebauer model incorporating a single halftone reproduction curve for each ink. Taking into account dot surface coverages according to different superposition conditions considerably improves the predictions of the Yule-Nielsen modified Neugebauer model. In the case of offset prints, the mean difference between predictions and measurements expressed in CIE-LAB CIE-94 ΔE94 values is reduced at 100 lpi from 1.54 to 0.90 (accuracy improvement factor: 1.7) and at 150 lpi it is reduced from 1.87 to 1.00 (accuracy improvement factor: 1.8). Similar improvements have been observed for a thermal transfer printer at 600 dpi, at lineatures of 50 and 75 lpi. In the case of an ink-jet printer at 600 dpi, the mean ΔE94 value is reduced at 75 lpi from 3.03 to 0.90 (accuracy improvement factor: 3.4) and at 100 lpi from 3.08 to 0.91 (accuracy improvement factor: 3.4).

Improving the Yule-Nielsen modified Neugebauer model by dot surface coverages depending on the ink superposition conditions

NASA Astrophysics Data System (ADS)

Hersch, Roger David; Crete, Frederique

2005-01-01

Dot gain is different when dots are printed alone, printed in superposition with one ink or printed in superposition with two inks. In addition, the dot gain may also differ depending on which solid ink the considered halftone layer is superposed. In a previous research project, we developed a model for computing the effective surface coverage of a dot according to its superposition conditions. In the present contribution, we improve the Yule-Nielsen modified Neugebauer model by integrating into it our effective dot surface coverage computation model. Calibration of the reproduction curves mapping nominal to effective surface coverages in every superposition condition is carried out by fitting effective dot surfaces which minimize the sum of square differences between the measured reflection density spectra and reflection density spectra predicted according to the Yule-Nielsen modified Neugebauer model. In order to predict the reflection spectrum of a patch, its known nominal surface coverage values are converted into effective coverage values by weighting the contributions from different reproduction curves according to the weights of the contributing superposition conditions. We analyze the colorimetric prediction improvement brought by our extended dot surface coverage model for clustered-dot offset prints, thermal transfer prints and ink-jet prints. The color differences induced by the differences between measured reflection spectra and reflection spectra predicted according to the new dot surface estimation model are quantified on 729 different cyan, magenta, yellow patches covering the full color gamut. As a reference, these differences are also computed for the classical Yule-Nielsen modified spectral Neugebauer model incorporating a single halftone reproduction curve for each ink. Taking into account dot surface coverages according to different superposition conditions considerably improves the predictions of the Yule-Nielsen modified Neugebauer model. In the case of offset prints, the mean difference between predictions and measurements expressed in CIE-LAB CIE-94 ΔE94 values is reduced at 100 lpi from 1.54 to 0.90 (accuracy improvement factor: 1.7) and at 150 lpi it is reduced from 1.87 to 1.00 (accuracy improvement factor: 1.8). Similar improvements have been observed for a thermal transfer printer at 600 dpi, at lineatures of 50 and 75 lpi. In the case of an ink-jet printer at 600 dpi, the mean ΔE94 value is reduced at 75 lpi from 3.03 to 0.90 (accuracy improvement factor: 3.4) and at 100 lpi from 3.08 to 0.91 (accuracy improvement factor: 3.4).

The Role of Smoking and Gingival Crevicular Fluid Markers on Coronally Advanced Flap Outcomes

PubMed Central

Kaval, Başak; Renaud, Diane E.; Scott, David A.; Buduneli, Nurcan

2015-01-01

Background This study evaluates possible effects of smoking on the following: 1) biochemical content in gingival crevicular fluid (GCF) samples from sites of gingival recession and saliva; and 2) clinical outcomes of coronally advanced flap (CAF) for root coverage. Methods Eighteen defects in 15 patients were included in each of the smoker and non-smoker groups. Baseline cotinine, basic fibroblast growth factor, vascular endothelial growth factor, platelet-derived growth factor, interleukin (IL)-8, IL-10, IL-12, tumor necrosis factor-α, matrix metalloproteinase (MMP)-8, MMP-9, and plasminogen activator inhibitor-1 levels were determined in GCF and saliva samples. CAF with microsurgery technique was applied. Plaque index, papilla bleeding index, recession depth (RD), recession width (RW), and root surface area were evaluated at baseline and postoperative months 1, 3, and 6. Probing depth, clinical attachment level (CAL), and keratinized gingival width (KGW) was recorded at baseline and month 6. Percentage of root coverage and complete root coverage were calculated at postoperative months 1, 3, and 6. Results All biochemical parameters were similar in the two groups apart from the definite difference in salivary cotinine concentrations (P = 0.000). Compared with the baseline values, RD, RW, CAL, and root surface area decreased, and KGW increased, with no significant difference between the study groups. CAL gain, percentage of root coverage, and complete root-coverage rates were similar in the study groups. Conclusion Similar baseline biochemical data and comparably high success rates of root coverage with CAF in systemically and periodontally healthy smokers versus non-smokers suggest lack of adverse effects of smoking on clinical outcomes. PMID:23725027

Surface reaction modification: The effect of structured overlayers of sulfur on the kinetics and mechanism of the decomposition of formic acid on Pt(111)

NASA Astrophysics Data System (ADS)

Abbas, N.; Madix, R. J.

The reaction of formic acid (DCOOH) on Pt(111), Pt(111)-(2×2)S and Pt(111)-(√3×√3)R30°S surfaces was examined by temperature programmed reaction spectroscopy. On the clean surface formic acid decomposed to yield primarily carbon dioxide and the hydrogenic species (H 2, HD and D 2) at low coverages. Although the formation of water and carbon monoxide via a dehydration reaction was observed at these coverages, the yield of these products was small when compared to the other products of reaction. The evolution of CO 2 at low temperature was ascribed to the decomposition of the formate intermediate. In the presence of sulfur the amount of molecularly adsorbed formic acid decreased up to a factor of three on the (√3×√3)R30°S surface, and a decline in the reactivity of over an order of magnitude was also observed. The only products formed were the hydrogenic species and carbon dioxide. The absence of carbon monoxide indicated that the dehydration pathway was blocked by sulfur. In addition to the low temperature CO 2 peak a high temperature CO 2-producing path was also evident. It was inferred from both the stoichiometry and the coincident evolution of D 2 and CO 2 in the high temperature states that these products also evolved due to the decomposition of the formate intermediate. On increasing the sulfur coverage to one-third monolayer this intermediate was further stabilized, and a predominance of the decomposition via the high temperature path was observed. Stability of the formate intermediate was attributed to inhibition of the decomposition reaction by sulfur atoms. The activation energy for formate decomposition increased from 15 kcal/gmole on the clean surface to 24.3 kcal/gmol on the (√3×√3)R30°S overlayer.

Carboxymethylcellulose adsorption on molybdenite: the effect of electrolyte composition on adsorption, bubble-surface collisions, and flotation.

PubMed

Kor, Mohammad; Korczyk, Piotr M; Addai-Mensah, Jonas; Krasowska, Marta; Beattie, David A

2014-10-14

The adsorption of carboxymethylcellulose polymers on molybdenite was studied using spectroscopic ellipsometry and atomic force microscopy imaging with two polymers of differing degrees of carboxyl group substitution and at three different electrolyte conditions: 1 × 10(-2) M KCl, 2.76 × 10(-2) M KCl, and simulated flotation process water of multicomponent electrolyte content, with an ionic strength close to 2.76 × 10(-2) M. A higher degree of carboxyl substitution in the adsorbing polymer resulted in adsorbed layers that were thinner and with more patchy coverage; increasing the ionic strength of the electrolyte resulted in increased polymer layer thickness and coverage. The use of simulated process water resulted in the largest layer thickness and coverage for both polymers. The effect of the adsorbed polymer layer on bubble-particle attachment was studied with single bubble-surface collision experiments recorded with high-speed video capture and image processing and also with single mineral molybdenite flotation tests. The carboxymethylcellulose polymer with a lower degree of substitution resulted in almost complete prevention of wetting film rupture at the molybdenite surface under all electrolyte conditions. The polymer with a higher degree of substitution prevented rupture only when adsorbed from simulated process water. Molecular kinetic theory was used to quantify the effect of the polymer on the dewetting dynamics for collisions that resulted in wetting film rupture. Flotation experiments confirmed that adsorbed polymer layer properties, through their effect on the dynamics of bubble-particle attachment, are critical to predicting the effectiveness of polymers used to prevent mineral recovery in flotation.

Experimental research on microhardness and wear resistances of pure Cu subjected to surface dynamic plastic deformation by ultrasonic impact

NASA Astrophysics Data System (ADS)

Chen, Zhaoxia; He, Yangming

2018-04-01

Dynamic plastic deformation (DPD) has been induced in the surface of pure Cu by ultrasonic impact treating (UIT) with the varied impact current and coverage percentage. The microstructures of the treated surface were analyzed by a scanning electron microscope (SEM). And the wear resistance of pure Cu was experimentally researched both with the treated and untreated specimens. The effect of DPD on the hardness was also investigated using microhardness tester. The results show that the grains on the top surfaces of pure Cu are highly refined. The maximum depth of the plastic deformation layer is approximately 1400 µm. The larger the current and coverage percentage, the greater of the microhardness and wear resistance the treated surface layer of pure Cu will be. When the impact current is 2 A and coverage percentage is 300%, the microhardness and wear resistance of the treated sample is about 276.1% and 68.8% higher than that of the untreated specimen, respectively. But the properties of the treated sample deteriorate when the UIT current is 3 A and the coverage percentage is 300% because of the formation of a new phase forms in the treated surface.

Formation of thin film like assembly of exfoliated C3N4 nanoflakes by solvent non-evaporative method using centrifuge

NASA Astrophysics Data System (ADS)

Tejasvi, Ravi; Basu, Suddhasatwa

2017-12-01

A simple method for depositing a thin film of nanomaterial on a substrate using centrifugation technique has been developed, whereby solvent evaporation is prevented and solvent reuse is possible. The centrifuge technique of deposition yields uniform, smooth thin film irrespective of substrate surface texture. The deposited TiO2/eC3N4 film studied, through field emission scanning electron microscope, atomic force microscope, and optical surface profilometer, shows variation in surface roughness on the basis of centrifugation speeds. Initially film coverage improves and surface roughness decreases with the increase in rpm of the centrifuge and the surface roughness slightly increases with further increase in rpm. The photoelectrochemical studies of TiO2/eC3N4 films suggest that the centrifuge technique forms better heterojunctions compared to that by spin coating technique leading to enhanced photoelectrochemical water splitting.

SERS-activating effect of chlorides on borate-stabilized silver nanoparticles: formation of new reduced adsorption sites and induced nanoparticle fusion.

PubMed

Sloufová, Ivana; Sisková, Karolína; Vlcková, Blanka; Stepánek, Josef

2008-04-28

Changes in morphology, surface reactivity and surface-enhancement of Raman scattering induced by modification of borate-stabilized Ag nanoparticles by adsorbed chlorides have been explored using TEM, EDX analysis and SERS spectra of probing adsorbate 2,2'-bipyridine (bpy) excited at 514.5 nm and evaluated by factor analysis. At fractional coverages of the parent Ag nanoparticles by adsorbed chlorides <0.6, the Ag colloid/Cl(-)/bpy systems were found to be constituted by fractal aggregates of Ag nanoparticles fairly uniform in size (10 +/- 2 nm) and SERS spectra of Ag(+)-bpy surface species were detected. The latter result was interpreted in terms of the presence of oxidized Ag(+) and/or Ag(n)(+) adsorption sites, which have been encountered also in systems with the chemically untreated Ag nanoparticles. At chloride coverages >0.6, a fusion of fractal aggregates into the compact aggregates of touching and/or interpenetrating Ag nanoparticles has been observed and found to be accompanied by the formation of another surface species, Ag-bpy, as well as by the increase of the overall SERS enhancement of bpy by factor of 40. The same Ag-bpy surface species has been detected under the strongly reducing conditions of reduction of silver nitrate by sodium borohydride in the presence of bpy. The formation of Ag-bpy is thus interpreted in terms of the stabilization of reduced Ag(0) adsorption sites by adsorbed bpy. The formation of reduced adsorption sites on Ag nanoparticle surfaces at chloride coverages >0.6 is discussed in terms of local changes in the work function of Ag. Finally, the SERS spectral detection of Ag-bpy species is proposed as a tool for probing the presence of reduced Ag(0) adsorption sites in systems with chemically modified Ag nanoparticles.

Water and Carbon Dioxide Adsorption at Olivine Surfaces

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

Kerisit, Sebastien N.; Bylaska, Eric J.; Felmy, Andrew R.

2013-11-14

Plane-wave density functional theory (DFT) calculations were performed to simulate water and carbon dioxide adsorption at the (010) surface of five olivine minerals, namely, forsterite (Mg2SiO4), calcio-olivine (Ca2SiO4), tephroite (Mn2SiO4), fayalite (Fe2SiO4), and Co-olivine (Co2SiO4). Adsorption energies per water molecule obtained from energy minimizations varied from -78 kJ mol-1 for fayalite to -128 kJ mol-1 for calcio-olivine at sub-monolayer coverage and became less exothermic as coverage increased. In contrast, carbon dioxide adsorption energies at sub-monolayer coverage ranged from -20 kJ mol-1 for fayalite to -59 kJ mol-1 for calcio-olivine. Therefore, the DFT calculations show a strong driving force for carbonmore » dioxide displacement by water at the surface of all olivine minerals in a competitive adsorption scenario. Additionally, adsorption energies for both water and carbon dioxide were found to be more exothermic for the alkaline-earth (AE) olivines than for the transition-metal (TM) olivines and to not correlate with the solvation enthalpies of the corresponding divalent cations. However, a correlation was obtained with the charge of the surface divalent cation indicating that the more ionic character of the AE cations in the olivine structure relative to the TM cations leads to greater interactions with adsorbed water and carbon dioxide molecules at the surface and thus more exothermic adsorption energies for the AE olivines. For calcio-olivine, which exhibits the highest divalent cation charge of the five olivines, ab initio molecular dynamics simulations showed that this effect leads both water and carbon dioxide to react with the surface and form hydroxyl groups and a carbonate-like species, respectively.« less

Negative electron affinity from aluminium on the diamond (1 0 0) surface: a theoretical study

NASA Astrophysics Data System (ADS)

James, Michael C.; Croot, Alex; May, Paul W.; Allan, Neil L.

2018-06-01

Density functional theory calculations were performed to model the adsorption of up to 1 monolayer (ML) of aluminium on the bare and O-terminated (1 0 0) diamond surface. Large adsorption energies of up to  ‑6.36 eV per atom are observed for the Al-adsorbed O-terminated diamond surface. Most adsorption sites give a negative electron affinity (NEA), with the largest NEAs  ‑1.47 eV on the bare surface (1 ML coverage) and  ‑1.36 eV on the O-terminated surface (0.25 ML coverage). The associated adsorption energies per Al atom for these sites are  ‑4.11 eV and  ‑5.24 eV, respectively. Thus, with suitably controlled coverage, Al on diamond shows promise as a thermally-stable surface for electron emission applications.

Size-dependent surface-enhanced Raman scattering of sodium benzoate on Silver nanoparticles

NASA Astrophysics Data System (ADS)

Badr, Y.; Mahmoud, M. A.

2005-07-01

The absorption spectrum of silver nanoparticles (Ag NPs) with different size and the transmission electron microscopy (TEM) was recorded. Surface-enhanced Raman scattering (SERS) spectra of Sodium Benzoate (SB) adsorbed on Ag NPs with different particle size were studied. The carboxylic group bands were enhanced as the particle size decreases due to the chemisorption of SB on the Ag NPs through it in which the carboxyl group was perpendicular to the surface and the benzene ring parallel to the surface; the SB bands were enhanced as the coverage density of Ag NPs increased.

An update to the Surface Ocean CO2 Atlas (SOCAT version 2)

NASA Astrophysics Data System (ADS)

Bakker, D. C. E.; Pfeil, B.; Smith, K.; Hankin, S.; Olsen, A.; Alin, S. R.; Cosca, C.; Harasawa, S.; Kozyr, A.; Nojiri, Y.; O'Brien, K. M.; Schuster, U.; Telszewski, M.; Tilbrook, B.; Wada, C.; Akl, J.; Barbero, L.; Bates, N. R.; Boutin, J.; Bozec, Y.; Cai, W.-J.; Castle, R. D.; Chavez, F. P.; Chen, L.; Chierici, M.; Currie, K.; de Baar, H. J. W.; Evans, W.; Feely, R. A.; Fransson, A.; Gao, Z.; Hales, B.; Hardman-Mountford, N. J.; Hoppema, M.; Huang, W.-J.; Hunt, C. W.; Huss, B.; Ichikawa, T.; Johannessen, T.; Jones, E. M.; Jones, S. D.; Jutterström, S.; Kitidis, V.; Körtzinger, A.; Landschützer, P.; Lauvset, S. K.; Lefèvre, N.; Manke, A. B.; Mathis, J. T.; Merlivat, L.; Metzl, N.; Murata, A.; Newberger, T.; Omar, A. M.; Ono, T.; Park, G.-H.; Paterson, K.; Pierrot, D.; Ríos, A. F.; Sabine, C. L.; Saito, S.; Salisbury, J.; Sarma, V. V. S. S.; Schlitzer, R.; Sieger, R.; Skjelvan, I.; Steinhoff, T.; Sullivan, K. F.; Sun, H.; Sutton, A. J.; Suzuki, T.; Sweeney, C.; Takahashi, T.; Tjiputra, J.; Tsurushima, N.; van Heuven, S. M. A. C.; Vandemark, D.; Vlahos, P.; Wallace, D. W. R.; Wanninkhof, R.; Watson, A. J.

2014-03-01

The Surface Ocean CO2 Atlas (SOCAT), an activity of the international marine carbon research community, provides access to synthesis and gridded fCO2 (fugacity of carbon dioxide) products for the surface oceans. Version 2 of SOCAT is an update of the previous release (version 1) with more data (increased from 6.3 million to 10.1 million surface water fCO2 values) and extended data coverage (from 1968-2007 to 1968-2011). The quality control criteria, while identical in both versions, have been applied more strictly in version 2 than in version 1. The SOCAT website (http://www.socat.info/) has links to quality control comments, metadata, individual data set files, and synthesis and gridded data products. Interactive online tools allow visitors to explore the richness of the data. Applications of SOCAT include process studies, quantification of the ocean carbon sink and its spatial, seasonal, year-to-year and longerterm variation, as well as initialisation or validation of ocean carbon models and coupled climate-carbon models. Data coverage Repository-References: Individual data set files and synthesis product: doi:10.1594/PANGAEA.811776 Gridded products: doi:10.3334/CDIAC/OTG.SOCAT_V2_GRID Available at: http://www.socat.info/ Coverage: 79° S to 90° N; 180° W to 180° E Location Name: Global Oceans and Coastal Seas Date/Time Start: 16 November 1968 ate/Time End: 26 December 2011

Effect of Temperature on the Desorption of Lithium from Molybdenum(110) Surfaces: Implications for Fusion Reactor First Wall Materials

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

Chen, Mohan; Roszell, John; Scoullos, Emanuel V.

2016-03-30

Determining the strength of Li binding to Mo is critical to assessing the survivability of Li as a potential first wall material in fusion reactors. Here, we present the results of a joint experimental and theoretical investigation into how Li desorbs from Mo(110) surfaces, based on what can be deduced from temperature-programmed desorption measurements and density functional theory (DFT). Li desorption peaks measured at temperatures ranging from 711 K (1 monolayer, ML) to 1030 K (0.04 ML), with corresponding desorption onsets from 489 to 878 K, follow a trend similar to predicted Gibbs free energies for Li adsorption. Bader chargemore » analysis of DFT densities reveals that repulsive forces between neighboring positively charged Li atoms increase with coverage and thus reduce the bond strength between Mo and Li, thereby lowering the desorption temperature as the coverage increases. In addition, DFT predicts that Li desorbs at higher temperatures from a surface with vacancies than from a perfect surface, offering an explanation for the anomalously high desorption temperatures for the last Li to desorb from Mo(110). Analysis of simulated local densities of states indicates that the stronger binding to the defective surface is correlated with enhanced interaction between Li and Mo, involving the Li 2s electrons and not only the Mo 4d electrons as in the case of the pristine surface, but also the Mo 5s electrons in the case with surface vacancies. We suggest that steps and kinks present on the Mo(110) surface behave similarly and contribute to the high desorption temperatures. These findings imply that roughened Mo surfaces may strengthen Li film adhesion at higher temperatures.« less

Influence of Landscape Coverage on Measuring Spatial and Length Properties of Rock Fracture Networks: Insights from Numerical Simulation

NASA Astrophysics Data System (ADS)

Cao, Wenzhuo; Lei, Qinghua

2018-01-01

Natural fractures are ubiquitous in the Earth's crust and often deeply buried in the subsurface. Due to the difficulty in accessing to their three-dimensional structures, the study of fracture network geometry is usually achieved by sampling two-dimensional (2D) exposures at the Earth's surface through outcrop mapping or aerial photograph techniques. However, the measurement results can be considerably affected by the coverage of forests and other plant species over the exposed fracture patterns. We quantitatively study such effects using numerical simulation. We consider the scenario of nominally isotropic natural fracture systems and represent them using 2D discrete fracture network models governed by fractal and length scaling parameters. The groundcover is modelled as random patches superimposing onto the 2D fracture patterns. The effects of localisation and total coverage of landscape patches are further investigated. The fractal dimension and length exponent of the covered fracture networks are measured and compared with those of the original non-covered patterns. The results show that the measured length exponent increases with the reduced localisation and increased coverage of landscape patches, which is more evident for networks dominated by very large fractures (i.e. small underlying length exponent). However, the landscape coverage seems to have a minor impact on the fractal dimension measurement. The research findings of this paper have important implications for field survey and statistical analysis of geological systems.

EEG source localization: Sensor density and head surface coverage.

PubMed

Song, Jasmine; Davey, Colin; Poulsen, Catherine; Luu, Phan; Turovets, Sergei; Anderson, Erik; Li, Kai; Tucker, Don

2015-12-30

The accuracy of EEG source localization depends on a sufficient sampling of the surface potential field, an accurate conducting volume estimation (head model), and a suitable and well-understood inverse technique. The goal of the present study is to examine the effect of sampling density and coverage on the ability to accurately localize sources, using common linear inverse weight techniques, at different depths. Several inverse methods are examined, using the popular head conductivity. Simulation studies were employed to examine the effect of spatial sampling of the potential field at the head surface, in terms of sensor density and coverage of the inferior and superior head regions. In addition, the effects of sensor density and coverage are investigated in the source localization of epileptiform EEG. Greater sensor density improves source localization accuracy. Moreover, across all sampling density and inverse methods, adding samples on the inferior surface improves the accuracy of source estimates at all depths. More accurate source localization of EEG data can be achieved with high spatial sampling of the head surface electrodes. The most accurate source localization is obtained when the voltage surface is densely sampled over both the superior and inferior surfaces. Copyright © 2015 The Authors. Published by Elsevier B.V. All rights reserved.

Why CO bonds side-on at low coverage and both side-on and upright at high coverage on the Cr(110) surface

NASA Technical Reports Server (NTRS)

Mehandru, S. P.; Anderson, A. B.

1985-01-01

An atom superposition and electron delocalization molecular orbital study of CO adsorption on the Cr(110) surface shows a high coordinate lying down orientation is favored. This is a result of the large number of empty d-band energy levels in chromium, which allows the antibonding counterparts to sigma and pi donation bonds to the surface to be empty. When lying down, backbonding to CO pi sup * orbitals is enhanced. Repulsive interactions cause additional CO to stand upright at 1/4 monolyer coverage. The results confirm the recent experimental study of Shinn and Madey.

Cross-scale modelling of transpiration from stomata via the leaf boundary layer

PubMed Central

Defraeye, Thijs; Derome, Dominique; Verboven, Pieter; Carmeliet, Jan; Nicolai, Bart

2014-01-01

Background and Aims Leaf transpiration is a key parameter for understanding land surface–climate interactions, plant stress and plant structure–function relationships. Transpiration takes place at the microscale level, namely via stomata that are distributed discretely over the leaf surface with a very low surface coverage (approx. 0·2–5 %). The present study aims to shed more light on the dependency of the leaf boundary-layer conductance (BLC) on stomatal surface coverage and air speed. Methods An innovative three-dimensional cross-scale modelling approach was applied to investigate convective mass transport from leaves, using computational fluid dynamics. The gap between stomatal and leaf scale was bridged by including all these scales in the same computational model (10−5–10−1 m), which implies explicitly modelling individual stomata. Key Results BLC was strongly dependent on stomatal surface coverage and air speed. Leaf BLC at low surface coverage ratios (CR), typical for stomata, was still relatively high, compared with BLC of a fully wet leaf (hypothetical CR of 100 %). Nevertheless, these conventional BLCs (CR of 100 %), as obtained from experiments or simulations on leaf models, were found to overpredict the convective exchange. In addition, small variations in stomatal CR were found to result in large variations in BLCs. Furthermore, stomata of a certain size exhibited a higher mass transfer rate at lower CRs. Conclusions The proposed cross-scale modelling approach allows us to increase our understanding of transpiration at the sub-leaf level as well as the boundary-layer microclimate in a way currently not feasible experimentally. The influence of stomatal size, aperture and surface density, and also flow-field parameters can be studied using the model, and prospects for further improvement of the model are presented. An important conclusion of the study is that existing measures of conductances (e.g. from artificial leaves) can be significantly erroneous because they do not account for microscopic stomata, but instead assume a uniform distribution of evaporation such as found for a fully-wet leaf. The model output can be used to correct or upgrade existing BLCs or to feed into higher-scale models, for example within a multiscale framework. PMID:24510217

Island morphology statistics and growth mechanism for oxidation of the Al(111) surface with thermal O2 and NO

NASA Astrophysics Data System (ADS)

Sexton, J. Z.; Kummel, A. C.

2004-10-01

Scanning tunneling microscopy (STM) was employed to study the mechanism for the oxidation of Al(111) with thermal O2 and NO in the 20%-40% monolayer coverage regime. Experiments show that the islands formed upon exposure to thermal O2 and NO have dramatically different shapes, which are ultimately dictated by the dynamics of the gas surface interaction. The circumference-to-area ratio and other island morphology statistics are used to quantify the average difference in the two island types. Ultrahigh-vacuum STM was employed to make the following observations: (1) Oxygen islands on the Al(111) surface, formed upon exposure to thermal oxygen, are elongated and noncompact. (2) Mixed O/N islands on the Al(111) surface, formed upon exposure to thermal nitric oxide (NO), are round and compact. (3) STM movies acquired during thermal O2 exposure indicate that a complex mechanism involving chemisorption initiated rearrangement of preexisting oxygen islands leads to the asymmetric and elongated island shapes. The overall mechanism for the oxidation of the Al(111) surface can be summarized in three regimes. Low coverage is dominated by widely isolated small oxygen features (<3 O atoms) where normal dissociative chemisorption and oxygen abstraction mechanisms are present. At 20%-40% monolayer coverage, additional oxygen chemisorption induces rearrangement of preexisting islands to form free-energy minimum island shapes. At greater than ˜40% monolayer coverage, the apparent surface oxygen coverage asymptotes corresponding to the conversion of the 2D islands to 3D Al2O3 surface crystallites. The rearrangement of oxygen islands on the surface to form the observed islands indicates that there is a short-range oxygen-oxygen attractive potential and a long-range oxygen-oxygen repulsive potential.

Fluorinated silica microchannel surfaces

DOEpatents

Kirby, Brian J.; Shepodd, Timothy Jon

2005-03-15

A method for surface modification of microchannels and capillaries. The method produces a chemically inert surface having a lowered surface free energy and improved frictional properties by attaching a fluorinated alkane group to the surface. The coating is produced by hydrolysis of a silane agent that is functionalized with either alkoxy or chloro ligands and an uncharged C.sub.3 -C.sub.10 fluorinated alkane chain. It has been found that the extent of surface coverage can be controlled by controlling the contact time from a minimum of about 2 minutes to a maximum of 120 minutes for complete surface coverage.

Quantized Advantages to a Proposed Satellite at L5 from Simulated Synoptic Magnetograms

NASA Astrophysics Data System (ADS)

Schwarz, A. M.; Petrie, G. J. D.

2017-12-01

The dependency the Earth and its inhabitants have on the Sun is delicate and complex and sometimes dangerous. At the NSO, we provide 24/7 coverage of the full-disk solar magnetic field used in solar forecasting, however this only includes data from the Sun's Earth facing side. Ideally we would like to have constant coverage of the entire solar surface, however we are limited in our solar viewing angle. Our project attempts to quantify the advantages of full-disk magnetograms from a proposed satellite at L5. With instrumentation at L5 we would have an additional 60 degrees of solar surface coverage not seen from Earth. These 60 degrees crucially contain the solar longitudes that are about to rotate towards Earth. Using a full-surface flux-transport model of the evolving solar photospheric field, I created a simulation of full-disk observations from Earth and L5. Using standard solar forecasting tools we quantify the relative accuracy of the Earth-Only and Earth plus L5 forecasts relative to the "ground truth" of the full surface field model, the ideal case. My results gauge exactly how much polar coverage is improved, contrast the spherical multipoles of each model, and use a Potential-Field Source-Surface (PFSS) magnetic field analysis model to find comparisons in the neutral lines and open field coverage.

Self-organisation of adsorbed nitrogen on (100) and (410) copper faces: a SPA-LEED study

NASA Astrophysics Data System (ADS)

Sotto, M.; Croset, B.

2000-08-01

The self-organisation of nitrogen nanostructures at different coverages on a (100) copper surface is studied by spot profile analysing low energy electron diffraction (SPA-LEED). The existence of two surface states with a domain of coverage leading to coexistence of the two states as already observed by scanning tunneling microscopy (STM) [Leibsle and Robinson, Phys. Rev. B 47 (1993) 15 865; Leibsle et al., Surf. Sci. 317 (1994) 309; Leibsle, Surf. Sci. 440 (1999) L835] and low energy electron diffraction (LEED) [Sotto et al., Surf. Sci. 371 (1997) 36] is confirmed. In the first state, the surface is organised in square shape islands separated by bare copper <100> rows. This work shows that the surface periodicity depends on the preparation of the nitrogen overlayer. When nitrogen coverage is obtained by adsorption with a sample temperature near 320°C, the periodicity does not vary with coverage and is found to be equal to 55±2 Å. At coverages below 0.75±0.05 and if the nitrogen is deposited at room temperature followed by an anneal at 320°C, during long periods of time, the periodicity evolves to large values (˜97±3 Å). During thermal desorption, the long range order with decreasing coverage is maintained but the surface periodicity also evolves continuously to large values (˜100 Å). However, a surface periodicity of 55±2 Å seems to be a characteristic length of this system. The second surface state corresponds to large c(2×2)N domains separated by <110> trenches [Leibsle and Robinson, Phys. Rev. B 47 (1993) 15 865; Leibsle et al., Surf. Sci. 317 (1994) 309; Leibsle, Surf. Sci. 440 (1999) L835]. Nitrogen adsorption on a (410) stepped face induces a reconstruction into a (810) face with double step height. The complex behaviour of this film growth is discussed in the light of existing theories about the driving force leading to nanostructuration.

Theoretical study of the ammonia nitridation rate on an Fe (100) surface: A combined density functional theory and kinetic Monte Carlo study

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

Yeo, Sang Chul; Lee, Hyuck Mo, E-mail: hmlee@kaist.ac.kr; Lo, Yu Chieh

2014-10-07

Ammonia (NH{sub 3}) nitridation on an Fe surface was studied by combining density functional theory (DFT) and kinetic Monte Carlo (kMC) calculations. A DFT calculation was performed to obtain the energy barriers (E{sub b}) of the relevant elementary processes. The full mechanism of the exact reaction path was divided into five steps (adsorption, dissociation, surface migration, penetration, and diffusion) on an Fe (100) surface pre-covered with nitrogen. The energy barrier (E{sub b}) depended on the N surface coverage. The DFT results were subsequently employed as a database for the kMC simulations. We then evaluated the NH{sub 3} nitridation rate onmore » the N pre-covered Fe surface. To determine the conditions necessary for a rapid NH{sub 3} nitridation rate, the eight reaction events were considered in the kMC simulations: adsorption, desorption, dissociation, reverse dissociation, surface migration, penetration, reverse penetration, and diffusion. This study provides a real-time-scale simulation of NH{sub 3} nitridation influenced by nitrogen surface coverage that allowed us to theoretically determine a nitrogen coverage (0.56 ML) suitable for rapid NH{sub 3} nitridation. In this way, we were able to reveal the coverage dependence of the nitridation reaction using the combined DFT and kMC simulations.« less

Ecosystem Evapotranspiration as a Response to Climate and Vegetation Coverage Changes in Northwest Yunnan, China

PubMed Central

Yang, Hao; Luo, Peng; Wang, Jun; Mou, Chengxiang; Mo, Li; Wang, Zhiyuan; Fu, Yao; Lin, Honghui; Yang, Yongping; Bhatta, Laxmi Dutt

2015-01-01

Climate and human-driven changes play an important role in regional droughts. Northwest Yunnan Province is a key region for biodiversity conservation in China, and it has experienced severe droughts since the beginning of this century; however, the extent of the contributions from climate and human-driven changes remains unclear. We calculated the ecosystem evapotranspiration (ET) and water yield (WY) of northwest Yunnan Province, China from 2001 to 2013 using meteorological and remote sensing observation data and a Surface Energy Balance System (SEBS) model. Multivariate regression analyses were used to differentiate the contribution of climate and vegetation coverage to ET. The results showed that the annual average vegetation coverage significantly increased over time with a mean of 0.69 in spite of the precipitation fluctuation. Afforestation/reforestation and other management efforts attributed to vegetation coverage increase in NW Yunnan. Both ET and WY considerably fluctuated with the climate factors, which ranged from 623.29 mm to 893.8 mm and –51.88 mm to 384.40 mm over the time period. Spatially, ET in the southeast of NW Yunnan (mainly in Lijiang) increased significantly, which was in line with the spatial trend of vegetation coverage. Multivariate linear regression analysis indicated that climatic factors accounted for 85.18% of the ET variation, while vegetation coverage explained 14.82%. On the other hand, precipitation accounted for 67.5% of the WY. We conclude that the continuous droughts in northwest Yunnan were primarily climatically driven; however, man-made land cover and vegetation changes also increased the vulnerability of local populations to drought. Because of the high proportion of the water yield consumed for subsistence and poor infrastructure for water management, local populations have been highly vulnerable to climate drought conditions. We suggest that conservation of native vegetation and development of water-conserving agricultural practices should be implemented as adaptive strategies to mitigate climate change. PMID:26237220

Ecosystem Evapotranspiration as a Response to Climate and Vegetation Coverage Changes in Northwest Yunnan, China.

PubMed

Yang, Hao; Luo, Peng; Wang, Jun; Mou, Chengxiang; Mo, Li; Wang, Zhiyuan; Fu, Yao; Lin, Honghui; Yang, Yongping; Bhatta, Laxmi Dutt

2015-01-01

Climate and human-driven changes play an important role in regional droughts. Northwest Yunnan Province is a key region for biodiversity conservation in China, and it has experienced severe droughts since the beginning of this century; however, the extent of the contributions from climate and human-driven changes remains unclear. We calculated the ecosystem evapotranspiration (ET) and water yield (WY) of northwest Yunnan Province, China from 2001 to 2013 using meteorological and remote sensing observation data and a Surface Energy Balance System (SEBS) model. Multivariate regression analyses were used to differentiate the contribution of climate and vegetation coverage to ET. The results showed that the annual average vegetation coverage significantly increased over time with a mean of 0.69 in spite of the precipitation fluctuation. Afforestation/reforestation and other management efforts attributed to vegetation coverage increase in NW Yunnan. Both ET and WY considerably fluctuated with the climate factors, which ranged from 623.29 mm to 893.8 mm and -51.88 mm to 384.40 mm over the time period. Spatially, ET in the southeast of NW Yunnan (mainly in Lijiang) increased significantly, which was in line with the spatial trend of vegetation coverage. Multivariate linear regression analysis indicated that climatic factors accounted for 85.18% of the ET variation, while vegetation coverage explained 14.82%. On the other hand, precipitation accounted for 67.5% of the WY. We conclude that the continuous droughts in northwest Yunnan were primarily climatically driven; however, man-made land cover and vegetation changes also increased the vulnerability of local populations to drought. Because of the high proportion of the water yield consumed for subsistence and poor infrastructure for water management, local populations have been highly vulnerable to climate drought conditions. We suggest that conservation of native vegetation and development of water-conserving agricultural practices should be implemented as adaptive strategies to mitigate climate change.

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

McNeill, Jason Douglas

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

[Development of an Enterococcus faecalis periapical biofilm model for in vitro morphological study].

PubMed

Cao, Ridan; Hou, Benxiang

2014-08-01

This study aims to develop and observe a model system of the periapical biofilm structure of Enterococcus faecalis (E. faecalis). A total of 24 intact human single-rooted premolars extracted for orthodontic reasons were collected and randomly divided into eight groups (n = 3). The specimens were subjected to ultraviolet disinfection, inoculated with E. faecalis (ATCC 29212) suspension adjusted to 1 x 10(8) CFU x mL(-1), and incubated at 37 degrees C for 1, 2, and 7 d. Specimen groups were prepared for scanning electron microscope to examine the biofilm formation. The specimens in the confocal laser scanning microscope (CLSM) groups were stained with propidium iodide (PI) and ConA-fluorescein isothiocyanate (ConA-FITC) to examine the biofilm formation. The images were randomized, and biofilm coverage (%) was assessed using Photoshop CS5. The biofilm coverage (%) on the cementum increased with increasing incubation period. The biofilm coverage of the 7 d group was significantly higher than those of the 1 and 2 d groups (P < 0.05). The values of the latter two groups were not significantly different (P > 0.05). Dense aggregations composed of E. faecalis and the amorphous matrix were observed on the root cementum surfaces of the specimens in the 7 d group. The bacteria were stained red by PI, and the matrix was stained green by ConA-FITC under CLSM observation. The biofilm coverage (%) on the samples in the 7 d group was 17.23% +/- 1.52%, showing multi-level space structure and water channels. E. faecalis forms bacterial biofilms on the root cementum surface in 7 d. The biofilms were composed of E. faecalis and the amorphous matrix.

Estimating the impact of test-and-treat strategies on hepatitis B virus infection in China by using an age-structured mathematical model.

PubMed

Zu, Jian; Li, Miaolei; Zhuang, Guihua; Liang, Peifeng; Cui, Fuqiang; Wang, Fuzhen; Zheng, Hui; Liang, Xiaofeng

2018-04-01

The potential impact of increasing test-and-treat coverage on hepatitis B virus (HBV) infection remains unclear in China. The objective of this study was to develop a dynamic compartmental model at a population level to estimate the long-term effect of this strategy.Based on the natural history of HBV infection and 3 serosurvey data of hepatitis B in China, we proposed an age- and time-dependent discrete model to predict the number of new HBV infection, the number of chronic HBV infection, and the number of HBV-related deaths for the time from 2018 to 2050 under 5 different test-and-treat coverage and compared them with current intervention policy.Compared with current policy, if the test-and-treat coverage was increased to 100% since 2018, the numbers of chronic HBV infection, new HBV infection, and HBV-related deaths in 2035 would be reduced by 26.60%, 24.88%, 26.55%, respectively, and in 2050 it would be reduced by 44.93%, 43.29%, 43.67%, respectively. In contrast, if the test-and-treat coverage was increased by 10% every year since 2018, then the numbers of chronic HBV infection, new HBV infection, and HBV-related deaths in 2035 would be reduced by 21.81%, 20.10%, 21.40%, respectively, and in 2050 it would be reduced by 41.53%, 39.89%, 40.32%, respectively. In particular, if the test-and-treat coverage was increased to 75% since 2018, then the annual number of HBV-related deaths would begin to decrease from 2018. If the test-and-treat coverage was increased to above 25% since 2018, then the hepatitis B surface antigen (HBsAg) prevalence for population aged 1 to 59 years in China would be reduced to below 2% in 2035. Our model also showed that in 2035, the numbers of chronic HBV infection and HBV-related deaths in 65 to 69 age group would be reduced the most (about 1.6 million and 13 thousand, respectively).Increasing test-and-treat coverage would significantly reduce HBV infection in China, especially in the middle-aged people and older people. The earlier the treatment and the longer the time, the more significant the reduction. Implementation of test-and-treat strategy is highly effective in controlling hepatitis B in China.

Estimating the impact of test-and-treat strategies on hepatitis B virus infection in China by using an age-structured mathematical model

PubMed Central

Zu, Jian; Li, Miaolei; Zhuang, Guihua; Liang, Peifeng; Cui, Fuqiang; Wang, Fuzhen; Zheng, Hui; Liang, Xiaofeng

2018-01-01

Abstract The potential impact of increasing test-and-treat coverage on hepatitis B virus (HBV) infection remains unclear in China. The objective of this study was to develop a dynamic compartmental model at a population level to estimate the long-term effect of this strategy. Based on the natural history of HBV infection and 3 serosurvey data of hepatitis B in China, we proposed an age- and time-dependent discrete model to predict the number of new HBV infection, the number of chronic HBV infection, and the number of HBV-related deaths for the time from 2018 to 2050 under 5 different test-and-treat coverage and compared them with current intervention policy. Compared with current policy, if the test-and-treat coverage was increased to 100% since 2018, the numbers of chronic HBV infection, new HBV infection, and HBV-related deaths in 2035 would be reduced by 26.60%, 24.88%, 26.55%, respectively, and in 2050 it would be reduced by 44.93%, 43.29%, 43.67%, respectively. In contrast, if the test-and-treat coverage was increased by 10% every year since 2018, then the numbers of chronic HBV infection, new HBV infection, and HBV-related deaths in 2035 would be reduced by 21.81%, 20.10%, 21.40%, respectively, and in 2050 it would be reduced by 41.53%, 39.89%, 40.32%, respectively. In particular, if the test-and-treat coverage was increased to 75% since 2018, then the annual number of HBV-related deaths would begin to decrease from 2018. If the test-and-treat coverage was increased to above 25% since 2018, then the hepatitis B surface antigen (HBsAg) prevalence for population aged 1 to 59 years in China would be reduced to below 2% in 2035. Our model also showed that in 2035, the numbers of chronic HBV infection and HBV-related deaths in 65 to 69 age group would be reduced the most (about 1.6 million and 13 thousand, respectively). Increasing test-and-treat coverage would significantly reduce HBV infection in China, especially in the middle-aged people and older people. The earlier the treatment and the longer the time, the more significant the reduction. Implementation of test-and-treat strategy is highly effective in controlling hepatitis B in China. PMID:29668627

X-ray photoelectron spectroscopy study of para-substituted benzoic acids chemisorbed to aluminum oxide thin films

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

Kreil, Justin; Ellingsworth, Edward; Szulczewski, Greg

A series of para-substituted, halogenated (F, Cl, Br, and I) benzoic acid monolayers were prepared on the native oxide of aluminum surfaces by solution self-assembly and spin-coating techniques. The monolayers were characterized by x-ray photoelectron spectroscopy (XPS) and water contact angles. Several general trends are apparent. First, the polarity of the solvent is critical to monolayer formation. Protic polar solvents produced low coverage monolayers; in contrast, nonpolar solvents produced higher coverage monolayers. Second, solution deposition yields a higher surface coverage than spin coating. Third, the thickness of the monolayers determined from XPS suggests the plane of the aromatic ring ismore » perpendicular to the surface with the carboxylate functional group most likely binding in a bidentate chelating geometry. Fourth, the saturation coverage (∼2.7 × 10{sup 14} molecules cm{sup −2}) is independent of the para-substituent.« less

Nanopatterning of Si(001) for bottom-up fabrication of nanostructures.

PubMed

Hu, Yanfang; Kalachahi, Hedieh Hosseinzadeh; Das, Amal K; Koch, Reinhold

2012-04-27

The epitaxial growth of Si on Si(001) under conditions at which the (2 × n) superstructure is forming has been investigated by scanning tunneling microscopy and Monte Carlo simulations. Our experiments reveal a periodic change of the surface morphology with the surface coverage of Si. A regular (2 × n) stripe pattern is observed at coverages of 0.7-0.9 monolayers that periodically alternates with less dense surface structures at lower Si surface coverages. The MC simulations show that the growth of Si is affected by step-edge barriers, which favors the formation of a rather uniform two-dimensional framework-like configuration. Subsequent deposition of Ge onto the (2 × n) stripe pattern yields a dense array of small Ge nanostructures.

Effects of sterilisation method on surface topography and in-vitro cell behaviour of electrostatically spun scaffolds.

PubMed

Andrews, Kirstie D; Hunt, John A; Black, Richard A

2007-02-01

Electrostatic spinning is a potentially significant technique for scaffold production within the field of tissue engineering; however, the effect of sterilisation upon these structures is not known. This research investigated the extent of any topographical alteration to electrostatically spun scaffolds post-production through sterilisation, and examined any subsequent effect on contacting cells. Scaffolds made from Tecoflex SG-80A polyurethane were sterilised using ethylene oxide and UV-ozone. Scaffold topography was characterized in terms of inter-fibre separation (ifs), fibre diameter (f.dia) and surface roughness. Cell culture was performed over 7 days with both mouse L929 and human embryonic lung fibroblasts, the results of which were assessed using SEM, image analysis and confocal microscopy. Sterilisation by UV-ozone and ethylene oxide decreased ifs and increased f.dia; surface roughness was decreased by UV-ozone but increased by ethylene oxide. Possible mechanisms to explain these observations are discussed, namely photo-oxidative degradation in the case of UV-ozone and process-induced changes in surface roughness. UV-ozone sterilised scaffolds showed greater cell coverage than those treated with ethylene oxide, but lower coverage than all the controls. Changes in cell attachment and morphology were thought to be due to the changes in topography brought about by the sterilisation process. We conclude that surface modification by sterilisation could prove to be a useful tool at the final stage of scaffold production to enhance cell contact, phenotype or function.

Magnetic Resonance of Polymers at Surfaces

DTIC Science & Technology

1989-08-28

are similar in their response to solvent Znd temperature in bulk poly(vinyl acetate) ( PVAc ). 2 5 This technique has been used for comparison with bulk...polymer for the PVAc -silica and polystyrene (PS)-silica systems. 2 6 As a function of temperature, comparison of the surface labelled polymer with the...the coverage was increased, the ESR spectra of the polymer also became more bulk-like. The mobility of the PVAc on silica was also shown to depend on

Effect of Air-Polishing on Titanium Surfaces, Biofilm Removal, and Biocompatibility: A Pilot Study

PubMed Central

Bennani, Vincent; Hwang, Linda; Tawse-Smith, Andrew; Dias, George J.; Cannon, Richard D.

2015-01-01

Purpose. The aims of this in vitro study were to evaluate morphological changes induced by glycine powder air-polishing on titanium surfaces, biofilm removal, and biocompatibility. Material and Methods. Titanium grade IV discs were allocated into two groups: (1) discs without biofilm and (2) discs for Streptococcus mutans biofilm formation. Discs in each group were further subdivided into (a) no treatment and (b) air-polishing treatment with glycine powder. Discs were characterized by scanning electron microscopy (SEM), electron-dispersive spectroscopy (EDS), and confocal microscopy. Bacterial biofilms were quantified using a crystal violet dye-binding assay. Biocompatibility was evaluated by measuring the coverage and viability of L929 fibroblast cells cultured on the discs. Results. Air-polishing increased the roughness of treated discs (P < 0.05). EDS analysis did not show significant differences in the chemical composition of treated and nontreated discs. The amount of residual biofilm on treated discs was 8.6-fold lower than untreated controls (P < 0.05). Coverage of treated discs by fibroblasts was half that of untreated discs (P < 0.05) although both groups had the same cell viability. Conclusions. Air-polishing removed a significant amount of biofilm from titanium surfaces. The “polishing” was accompanied by increased surface roughness, but there were no changes in chemical and elemental compositions, nor the biocompatibility. PMID:26881198

Synergistic effect of iodide ions on the corrosion inhibition of steel in 0.5 M H 2SO 4 by new chalcone derivatives

NASA Astrophysics Data System (ADS)

Bouklah, M.; Hammouti, B.; Aouniti, A.; Benkaddour, M.; Bouyanzer, A.

2006-07-01

The effect of addition of 4',4-dihydroxychalcone (P 1), 4-aminochalcone (P 2) and 4-bromo, 4'-methoxychalcone (P 3) on the corrosion of steel in 0.5 M sulphuric acid has been studied by weight loss measurements, potentiodynamic and EIS measurements. We investigate the synergistic effect of iodide ions on the corrosion inhibition of steel in the presence of chalcone derivatives. The corrosion rates of the steel decrease with the increase of the chalcones concentration, while the inhibition efficiencies increase. The addition of iodide ions enhances the inhibition efficiency considerably. The presence of iodide ions increases the degree of surface coverage. The synergism parameters SΘ and SI, calculated from surface coverage and the values of inhibition efficiency, in the case of chalcone derivatives are found to be larger than unity. The enhanced inhibition efficiency in the presence of iodide ions is only due to synergism and there is a definite contribution from the inhibitors molecules. E (%) obtained from the various methods is in good agreement. Polarisation measurements show also that the compounds act as cathodic inhibitors.

Land and federal mineral ownership coverage for southern Wyoming

USGS Publications Warehouse

Biewick, L.H.; Mercier, T.J.; Saber, T.T.; Urbanowski, S.R.; Neasloney, Larry

1999-01-01

This Arc/Info coverage contains land status and Federal mineral ownership for approximately 37,800 square miles in southern Wyoming. The polygon coverage (which is also provided here as a shapefile) contains two attributes of ownership information for each polygon. One attribute indicates where the surface is State owned, privately owned, or, if Federally owned, which Federal agency manages the land surface. The other attribute indicates which minerals, if any, are owned by the Federal govenment. This coverage is based on land status and Federal mineral ownership data compiled by the U.S. Geological Survey (USGS) and the Wyoming State Bureau of Land Management (BLM) at a scale of 1:24,000. This coverage was compiled primarily to serve the USGS National Oil and Gas Resource Assessment and National Coal Resource Assessment Projects in the Northern Rocky Mountains/Great Plains Region.

Adsorption of modified dextrins on molybdenite: AFM imaging, contact angle, and flotation studies.

PubMed

Beaussart, Audrey; Parkinson, Luke; Mierczynska-Vasilev, Agnieszka; Beattie, David A

2012-02-15

The adsorption of three dextrins (a regular wheat dextrin, Dextrin TY, carboxymethyl (CM) Dextrin, and hydroxypropyl (HP) Dextrin) on molybdenite has been investigated using adsorption isotherms, tapping mode atomic force microscopy (TMAFM), contact angle measurements, and dynamic bubble-surface collisions. In addition, the effect of the polymers on the flotation recovery of molybdenite has been determined. The isotherms revealed the importance of molecular weight in determining the adsorbed amounts of the polymers on molybdenite at plateau coverage. TMAFM revealed the morphology of the three polymers, which consisted of randomly dispersed domains with a higher area fraction of surface coverage for the substituted dextrins. The contact angle of polymer-treated molybdenite indicated that polymer layer coverage and hydration influenced the mineral surface hydrophobicity. Bubble-surface collisions indicated that the polymers affected thin film rupture and dewetting rate differently, correlating with differences in the adsorbed layer morphology. Direct correlations were found between the surface coverage of the adsorbed layers, their impact on thin film rupture time, and their impact on flotation recovery, highlighting the paramount role of the polymer morphology in the bubble/particle attachment process and subsequent flotation. Copyright © 2011 Elsevier Inc. All rights reserved.

The EarthServer Geology Service: web coverage services for geosciences

NASA Astrophysics Data System (ADS)

Laxton, John; Sen, Marcus; Passmore, James

2014-05-01

The EarthServer FP7 project is implementing web coverage services using the OGC WCS and WCPS standards for a range of earth science domains: cryospheric; atmospheric; oceanographic; planetary; and geological. BGS is providing the geological service (http://earthserver.bgs.ac.uk/). Geoscience has used remote sensed data from satellites and planes for some considerable time, but other areas of geosciences are less familiar with the use of coverage data. This is rapidly changing with the development of new sensor networks and the move from geological maps to geological spatial models. The BGS geology service is designed initially to address two coverage data use cases and three levels of data access restriction. Databases of remote sensed data are typically very large and commonly held offline, making it time-consuming for users to assess and then download data. The service is designed to allow the spatial selection, editing and display of Landsat and aerial photographic imagery, including band selection and contrast stretching. This enables users to rapidly view data, assess is usefulness for their purposes, and then enhance and download it if it is suitable. At present the service contains six band Landsat 7 (Blue, Green, Red, NIR 1, NIR 2, MIR) and three band false colour aerial photography (NIR, green, blue), totalling around 1Tb. Increasingly 3D spatial models are being produced in place of traditional geological maps. Models make explicit spatial information implicit on maps and thus are seen as a better way of delivering geosciences information to non-geoscientists. However web delivery of models, including the provision of suitable visualisation clients, has proved more challenging than delivering maps. The EarthServer geology service is delivering 35 surfaces as coverages, comprising the modelled superficial deposits of the Glasgow area. These can be viewed using a 3D web client developed in the EarthServer project by Fraunhofer. As well as remote sensed imagery and 3D models, the geology service is also delivering DTM coverages which can be viewed in the 3D client in conjunction with both imagery and models. The service is accessible through a web GUI which allows the imagery to be viewed against a range of background maps and DTMs, and in the 3D client; spatial selection to be carried out graphically; the results of image enhancement to be displayed; and selected data to be downloaded. The GUI also provides access to the Glasgow model in the 3D client, as well as tutorial material. In the final year of the project it is intended to increase the volume of data to 20Tb and enhance the WCPS processing, including depth and thickness querying of 3D models. We have also investigated the use of GeoSciML, developed to describe and interchange the information on geological maps, to describe model surface coverages. EarthServer is developing a combined WCPS and xQuery query language, and we will investigate applying this to the GeoSciML described surfaces to answer questions such as 'find all units with a predominant sand lithology within 25m of the surface'.

The impact of reforestation in the northeast United States on precipitation and surface temperature

NASA Astrophysics Data System (ADS)

Clark, Allyson

Since the 1920s, forest coverage in the northeastern United States has recovered from disease, clearing for agricultural and urban development, and the demands of the timber industry. Such a dramatic change in ground cover can influence heat and moisture fluxes to the atmosphere, as measured in altered landscapes in Australia, Israel, and the Amazon. In this study, the impacts of recent reforestation in the northeastern United States on summertime precipitation and surface temperature were quantified by comparing average modern values to 1950s values. Weak positive (negative) relationships between reforestation and average monthly precipitation and daily minimum temperatures (average daily maximum surface temperature) were found. There was no relationship between reforestation and average surface temperature. Results of the observational analysis were compared with results obtained from reforestation scenarios simulated with the BUGS5 global climate model. The single difference between the model runs was the amount of forest coverage in the northeast United States; three levels of forest were defined - a grassland state, with 0% forest coverage, a completely forested state, with approximately 100% forest coverage, and a control state, with forest coverage closely resembling modern forest coverage. The three simulations were compared, and had larger magnitude average changes in precipitation and in all temperature variables. The difference in magnitudes between the model simulations observations was much larger than the difference in the amount of reforestation in each case. Additionally, unlike in observations, a negative relationship was found between average daily minimum temperature and amount of forest coverage, implying that additional factors influence temperature and precipitation in the real world that are not accounted for in the model.

Zn2+ and Sr2+ Adsorption at the TiO2 (110)-Electrolyte Interface: Influence of Ionic Strength, Coverage, and Anions

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

Zhang,Z.; Fenter, P.; Cheng, L.

2006-01-01

The X-ray standing wave technique was used to probe the sensitivity of Zn{sup 2+} and Sr{sup 2+} ion adsorption to changes in both the adsorbed ion coverage and the background electrolyte species and concentrations at the rutile ({alpha}-TiO{sub 2}) (110)-aqueous interface. Measurements were made with various background electrolytes (NaCl, NaTr, RbCl, NaBr) at concentrations as high as 1 m. The results demonstrate that Zn{sub 2+} and Sr{sub 2+} reside primarily in the condensed layer and that the ion heights above the Ti-O surface plane are insensitive to ionic strength and the choice of background electrolyte (with <0.1 Angstroms changes overmore » the full compositional range). The lack of any specific anion coadsorption upon probing with Br{sup -}, coupled with the insensitivity of Zn{sup 2+} and Sr{sup 2+} cation heights to changes in the background electrolyte, implies that anions do not play a significant role in the adsorption of these divalent metal ions to the rutile (110) surface. Absolute ion coverage measurements for Zn{sup 2+} and Sr{sup 2+} show a maximum Stern-layer coverage of {approx}0.5 monolayer, with no significant variation in height as a function of Stern-layer coverage. These observations are discussed in the context of Gouy-Chapman-Stern models of the electrical double layer developed from macroscopic sorption and pH-titration studies of rutile powder suspensions. Direct comparison between these experimental observations and the MUltiSIte Complexation (MUSIC) model predictions of cation surface coverage as a function of ionic strength revealed good agreement between measured and predicted surface coverages with no adjustable parameters.« less

Tribological Properties of NiAl Matrix Composites Filled with Serpentine Powders

NASA Astrophysics Data System (ADS)

Xue, Bing; Jing, Peixing; Ma, Weidong

2017-12-01

The unexplored tribological properties of NiAl matrix composites filled with serpentine powders are investigated using a reciprocating ball-on-disk configuration. Tribological test results reveal that increasing the serpentine concentration to some extent reduces the friction coefficients and wear rates of the composites. The best anti-friction and anti-wear performance is displayed by the NiAl matrix composite filled with 8 wt.% serpentine and 2 wt.% TiC (NAST). Microstructural analyses demonstrate that after adding serpentine, the self-lubricating films with different percentages of coverage form on the worn surfaces of the composites. A self-lubricating film with the highest percentage of coverage smears on the worn surface of NAST. This clearly suggests that serpentine can act as a new type of filler for NiAl matrix composites, whereas a combination of serpentine and TiC can enable serpentine to provide a full play to its excellent lubricating performance.

Thin sheets achieve optimal wrapping of liquids

NASA Astrophysics Data System (ADS)

Paulsen, Joseph; Démery, Vincent; Davidovitch, Benny; Santangelo, Christian; Russell, Thomas; Menon, Narayanan

2015-03-01

A liquid drop can wrap itself in a sheet using capillary forces [Py et al., PRL 98, 2007]. However, the efficiency of ``capillary origami'' at covering the surface of a drop is hampered by the mechanical cost of bending the sheet. Thinner sheets deform more readily by forming small-scale wrinkles and stress-focussing patterns, but it is unclear how coverage efficiency competes with mechanical cost as thickness is decreased, and what wrapping shapes will emerge. We place a thin (~ 100 nm) polymer film on a drop whose volume is gradually decreased so that the sheet covers an increasing fraction of its surface. The sheet exhibits a complex sequence of axisymmetric and polygonal partially- and fully- wrapped shapes. Remarkably, the progression appears independent of mechanical properties. The gross shape, which neglects small-scale features, is correctly predicted by a simple geometric approach wherein the exposed area is minimized. Thus, simply using a thin enough sheet results in maximal coverage.

Towards Biomimicking Wood: Fabricated Free-standing Films of Nanocellulose, Lignin, and a Synthetic Polycation

PubMed Central

Pillai, Karthik; Navarro Arzate, Fernando; Zhang, Wei; Renneckar, Scott

2014-01-01

Woody materials are comprised of plant cell walls that contain a layered secondary cell wall composed of structural polymers of polysaccharides and lignin. Layer-by-layer (LbL) assembly process which relies on the assembly of oppositely charged molecules from aqueous solutions was used to build a freestanding composite film of isolated wood polymers of lignin and oxidized nanofibril cellulose (NFC). To facilitate the assembly of these negatively charged polymers, a positively charged polyelectrolyte, poly(diallyldimethylammomium chloride) (PDDA), was used as a linking layer to create this simplified model cell wall. The layered adsorption process was studied quantitatively using quartz crystal microbalance with dissipation monitoring (QCM-D) and ellipsometry. The results showed that layer mass/thickness per adsorbed layer increased as a function of total number of layers. The surface coverage of the adsorbed layers was studied with atomic force microscopy (AFM). Complete coverage of the surface with lignin in all the deposition cycles was found for the system, however, surface coverage by NFC increased with the number of layers. The adsorption process was carried out for 250 cycles (500 bilayers) on a cellulose acetate (CA) substrate. Transparent free-standing LBL assembled nanocomposite films were obtained when the CA substrate was later dissolved in acetone. Scanning electron microscopy (SEM) of the fractured cross-sections showed a lamellar structure, and the thickness per adsorption cycle (PDDA-Lignin-PDDA-NC) was estimated to be 17 nm for two different lignin types used in the study. The data indicates a film with highly controlled architecture where nanocellulose and lignin are spatially deposited on the nanoscale (a polymer-polymer nanocomposites), similar to what is observed in the native cell wall. PMID:24961302

Adsorption of Potassium on the MoS2(100) Surface: A First-Principles Investigation

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

Andersen, Amity; Kathmann, Shawn M.; Lilga, Michael A.

2011-04-15

Periodic density functional theory calculations were performed to investigate the interaction that potassium with the Mo and S edges of the MoS2(100) surface. Both neutral and cationic (+1) charged potassium-promoted systems at different sulfur coverages were considered. Our calculations indicate that the potassium atom readily donates its single 4s valence electron to the MoS2 structure for the neutral potassium-promoted system, and the neutral and cationic potassium-promoted systems demonstrate a similar adsorption behavior. Moreover, potassium changes the magnetic properties known to occur at the metallic edge surface, which have implications for electron spin dependent surface characterization methods (i.e., electron spin/paramagnetic spectroscopy).more » Potassium in both the neutral and cationic systems tends to maximize its interactions with the available sulfur atoms at the edge surface, preferring sites over four-fold S hollows on fully sulfided Mo and S edges and over the interstitial gap where two to four edge surface S atoms are available for coordination. As the potassium coverage increases, the adsorption energy per potassium atom, surface work function, and transfer of the K 4s electron to the MoS2(100) surface decreases, which is in line with an increased metallization of the potassium adlayer. The potassium adlayer tends to form chains along the interstitial with K-K distances ~1 Å, which is notably less than those of bulk bcc K metal (4.61 Å). Density of states for the potassium-saturated surface suggests enhanced involvement of broad K 3d states beginning just above the Fermi level. Potassium-promotion of MoS2(100) has implications for alcohol catalysis: increasing the surface basicity by increasing the electron charge of the surface, providing hydrogenation-promoting CO site, blocking edge surface that dissociate CO and lead to methanation, and limiting H2 dissociative adsorption to the edge surface and possibly inhibiting the H2 dissociative adsorption via s character electron repulsion. This research was performed in part using the Molecular Science Computing Facility in the William R. Wiley Environmental Molecular Sciences Laboratory, a U.S. Department of Energy (DOE) national scientific user facility located at the Pacific Northwest National Laboratory (PNNL). PNNL is operated by Battelle for DOE.« less

22 CFR 126.5 - Canadian exemptions.

Code of Federal Regulations, 2012 CFR

2012-04-01

... such persons publicly available through the Internet Web site of the Directorate of Defense Trade... coverage area on the surface of the earth less than 200 nautical miles in diameter, where “coverage area” is defined as that area on the surface of the earth that is illuminated by the main beam width of the...

Extent of hydrogen coverage of Si(001) under chemical vapor deposition conditions from ab initio approaches

NASA Astrophysics Data System (ADS)

Rosenow, Phil; Tonner, Ralf

2016-05-01

The extent of hydrogen coverage of the Si(001) c(4 × 2) surface in the presence of hydrogen gas has been studied with dispersion corrected density functional theory. Electronic energy contributions are well described using a hybrid functional. The temperature dependence of the coverage in thermodynamic equilibrium was studied computing the phonon spectrum in a supercell approach. As an approximation to these demanding computations, an interpolated phonon approach was found to give comparable accuracy. The simpler ab initio thermodynamic approach is not accurate enough for the system studied, even if corrections by the Einstein model for surface vibrations are considered. The on-set of H2 desorption from the fully hydrogenated surface is predicted to occur at temperatures around 750 K. Strong changes in hydrogen coverage are found between 1000 and 1200 K in good agreement with previous reflectance anisotropy spectroscopy experiments. These findings allow a rational choice for the surface state in the computational treatment of chemical reactions under typical metal organic vapor phase epitaxy conditions on Si(001).

Extent of hydrogen coverage of Si(001) under chemical vapor deposition conditions from ab initio approaches

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

Rosenow, Phil; Tonner, Ralf, E-mail: tonner@chemie.uni-marburg.de

2016-05-28

The extent of hydrogen coverage of the Si(001) c(4 × 2) surface in the presence of hydrogen gas has been studied with dispersion corrected density functional theory. Electronic energy contributions are well described using a hybrid functional. The temperature dependence of the coverage in thermodynamic equilibrium was studied computing the phonon spectrum in a supercell approach. As an approximation to these demanding computations, an interpolated phonon approach was found to give comparable accuracy. The simpler ab initio thermodynamic approach is not accurate enough for the system studied, even if corrections by the Einstein model for surface vibrations are considered. Themore » on-set of H{sub 2} desorption from the fully hydrogenated surface is predicted to occur at temperatures around 750 K. Strong changes in hydrogen coverage are found between 1000 and 1200 K in good agreement with previous reflectance anisotropy spectroscopy experiments. These findings allow a rational choice for the surface state in the computational treatment of chemical reactions under typical metal organic vapor phase epitaxy conditions on Si(001).« less

Generalized adsorption isotherms for molecular and dissociative adsorption of a polar molecular species on two polar surface geometries: Perovskite (100) (Pm-3m) and fluorite (111) (Fm-3m)

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

Danielson, Thomas; Hin, Celine; Savara, Aditya

Lattice based kinetic Monte Carlo (KMC) simulations have been used to determine a functional form for the second order adsorption isotherms on two commonly investigated crystal surfaces: the (111) fluorite surface and the (100) perovskite surface which has the same geometric symmetry as the NaCl (100) surface. The functional form is generalized to be applicable to all values of the equilibrium constant by a shift along the pressure axis. Functions have been determined for estimating the pressure at which a desired coverage would be achieved and for estimating the coverage at a certain pressure. The generalized form has been calculatedmore » by investigating the surface adsorbate coverage across a range of thermodynamic equilibrium constants that span the range 10-26 to 1013. Finally, the equations have been shown to be general for any value of the adsorption equilibrium constant.« less

Generalized adsorption isotherms for molecular and dissociative adsorption of a polar molecular species on two polar surface geometries: Perovskite (100) (Pm-3m) and fluorite (111) (Fm-3m)

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

Danielson, Thomas; Hin, Celine; Department of Mechanical Engineering, Virginia Polytechnic Institute and State University, Blacksburg, Virginia 24061

Lattice based kinetic Monte Carlo simulations have been used to determine a functional form for the second order adsorption isotherms on two commonly investigated crystal surfaces: the (111) fluorite surface and the (100) perovskite surface which has the same geometric symmetry as the NaCl (100) surface. The functional form is generalized to be applicable to all values of the equilibrium constant by a shift along the pressure axis. Functions have been determined for estimating the pressure at which a desired coverage would be achieved and, conversely, for estimating the coverage at a certain pressure. The generalized form has been calculatedmore » by investigating the surface adsorbate coverage across a range of thermodynamic equilibrium constants that span the range 10{sup −26} to 10{sup 13}. The equations have been shown to be general for any value of the adsorption equilibrium constant.« less

Generalized adsorption isotherms for molecular and dissociative adsorption of a polar molecular species on two polar surface geometries: Perovskite (100) (Pm-3m) and fluorite (111) (Fm-3m)

DOE PAGES

Danielson, Thomas; Hin, Celine; Savara, Aditya

2016-08-10

Lattice based kinetic Monte Carlo (KMC) simulations have been used to determine a functional form for the second order adsorption isotherms on two commonly investigated crystal surfaces: the (111) fluorite surface and the (100) perovskite surface which has the same geometric symmetry as the NaCl (100) surface. The functional form is generalized to be applicable to all values of the equilibrium constant by a shift along the pressure axis. Functions have been determined for estimating the pressure at which a desired coverage would be achieved and for estimating the coverage at a certain pressure. The generalized form has been calculatedmore » by investigating the surface adsorbate coverage across a range of thermodynamic equilibrium constants that span the range 10-26 to 1013. Finally, the equations have been shown to be general for any value of the adsorption equilibrium constant.« less

Formic Acid Dissociative Adsorption on NiO(111): Energetics and Structure of Adsorbed Formate

DOE PAGES

Zhao, Wei; Doyle, Andrew D.; Morgan, Sawyer E.; ...

2017-11-21

Here, the dissociative adsorption of carboxylic acids on oxide surfaces is important for understanding adsorbed carboxylates, which are important as intermediates in catalytic reactions, for the organo-functionalization of oxide surfaces, and in many other aspects of oxide surface chemistry. We present here the first direct experimental measurement of the heat of dissociative adsorption of any carboxylic acid on any single-crystal oxide surface. The enthalpy of the dissociative adsorption of formic acid, the simplest carboxylic acid, to produce adsorbed formate and hydrogen (as a surface hydroxyl) on a (2 × 2)-NiO(111) surface is measured by single crystal adsorption calorimetry. The differentialmore » heat of adsorption decreases with formic acid coverage from 202 to 99 kJ/mol at saturation (0.25 ML). The structure of the adsorbed products is clarified by density functional theory (DFT) calculations, which provide energies in reasonable agreement with the calorimetry. These calculations show that formic acid readily dissociates on both the oxygen and Ni terminations of the octapolar NiO(111) surfaces, donating its acid H to a surface lattice oxygen, while HCOO adsorbs preferentially with bridging-type geometry near the M-O 3/O-M 3 sites. The calculated energetics at low coverages agrees well with experimental data, while larger differences are observed at high coverage (0.25 ML). The large decrease in experimental heat of adsorption with coverage can be brought into agreement with the DFT energies if we assume that both types of octapolar surface terminations (O- and Ni-) are present on the starting surface.« less

Formic Acid Dissociative Adsorption on NiO(111): Energetics and Structure of Adsorbed Formate

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

Zhao, Wei; Doyle, Andrew D.; Morgan, Sawyer E.

Here, the dissociative adsorption of carboxylic acids on oxide surfaces is important for understanding adsorbed carboxylates, which are important as intermediates in catalytic reactions, for the organo-functionalization of oxide surfaces, and in many other aspects of oxide surface chemistry. We present here the first direct experimental measurement of the heat of dissociative adsorption of any carboxylic acid on any single-crystal oxide surface. The enthalpy of the dissociative adsorption of formic acid, the simplest carboxylic acid, to produce adsorbed formate and hydrogen (as a surface hydroxyl) on a (2 × 2)-NiO(111) surface is measured by single crystal adsorption calorimetry. The differentialmore » heat of adsorption decreases with formic acid coverage from 202 to 99 kJ/mol at saturation (0.25 ML). The structure of the adsorbed products is clarified by density functional theory (DFT) calculations, which provide energies in reasonable agreement with the calorimetry. These calculations show that formic acid readily dissociates on both the oxygen and Ni terminations of the octapolar NiO(111) surfaces, donating its acid H to a surface lattice oxygen, while HCOO adsorbs preferentially with bridging-type geometry near the M-O 3/O-M 3 sites. The calculated energetics at low coverages agrees well with experimental data, while larger differences are observed at high coverage (0.25 ML). The large decrease in experimental heat of adsorption with coverage can be brought into agreement with the DFT energies if we assume that both types of octapolar surface terminations (O- and Ni-) are present on the starting surface.« less

Maximizing tibial coverage is detrimental to proper rotational alignment.

PubMed

Martin, Stacey; Saurez, Alex; Ismaily, Sabir; Ashfaq, Kashif; Noble, Philip; Incavo, Stephen J

2014-01-01

Traditionally, the placement of the tibial component in total knee arthroplasty (TKA) has focused on maximizing coverage of the tibial surface. However, the degree to which maximal coverage affects correct rotational placement of symmetric and asymmetric tibial components has not been well defined and might represent an implant design issue worthy of further inquiry. Using four commercially available tibial components (two symmetric, two asymmetric), we sought to determine (1) the overall amount of malrotation that would occur if components were placed for maximal tibial coverage; and (2) whether the asymmetric designs would result in less malrotation than the symmetric designs when placed for maximal coverage in a computer model using CT reconstructions. CT reconstructions of 30 tibial specimens were used to generate three-dimensional tibia reconstructions with attention to the tibial anatomic axis, the tibial tubercle, and the resected tibial surface. Using strict criteria, four commercially available tibial designs (two symmetric, two asymmetric) were placed on the resected tibial surface. The resulting component rotation was examined. Among all four designs, 70% of all tibial components placed in orientation maximizing fit to resection surface were internally malrotated (average 9°). The asymmetric designs had fewer cases of malrotation (28% and 52% for the two asymmetric designs, 100% and 96% for the two symmetric designs; p < 0.001) and less malrotation on average (2° and 5° for the asymmetric designs, 14° for both symmetric designs; p < 0.001). Maximizing tibial coverage resulted in implant malrotation in a large percentage of cases. Given similar amounts of tibial coverage, correct rotational positioning was more likely to occur with the asymmetric designs. Malrotation of components is an important cause of failure in TKA. Priority should be given to correct tibial rotational positioning. This study suggested that it is easier to balance rotation and coverage with asymmetric tibial baseplates; clinical research will need to determine whether the observed difference affects patellar tracking, loosening rates, or the likelihood of revisions after TKA.

Multi-Objective Optimization of Spacecraft Trajectories for Small-Body Coverage Missions

NASA Technical Reports Server (NTRS)

Hinckley, David, Jr.; Englander, Jacob; Hitt, Darren

2017-01-01

Visual coverage of surface elements of a small-body object requires multiple images to be taken that meet many requirements on their viewing angles, illumination angles, times of day, and combinations thereof. Designing trajectories capable of maximizing total possible coverage may not be useful since the image target sequence and the feasibility of said sequence given the rotation-rate limitations of the spacecraft are not taken into account. This work presents a means of optimizing, in a multi-objective manner, surface target sequences that account for such limitations.

The effect of Fe-coverage on the structure, morphology and magnetic properties of α-FeSi2 nanoislands.

PubMed

Tripathi, J K; Garbrecht, M; Kaplan, W D; Markovich, G; Goldfarb, I

2012-12-14

Self-assembled α-FeSi(2) nanoislands were formed using solid-phase epitaxy of low (~1.2 ML) and high (~21 ML) Fe coverages onto vicinal Si(111) surfaces followed by thermal annealing. At a resulting low Fe-covered Si(111) surface, we observed in situ, by real-time scanning tunneling microscopy and surface electron diffraction, the entire sequence of Fe-silicide formation and transformation from the initially two-dimensional (2 × 2)-reconstructed layer at 300 °C into (2 × 2)-reconstructed nanoislands decorating the vicinal step-bunch edges in a self-ordered fashion at higher temperatures. In contrast, the silicide nanoislands at a high Fe-covered surface were noticeably larger, more three-dimensional, and randomly distributed all over the surface. Ex situ x-ray photoelectron spectroscopy and high-resolution transmission electron microscopy indicated the formation of an α-FeSi(2) island phase, in an α-FeSi(2){112} // Si{111} orientation. Superconducting quantum interference device magnetometry showed considerable superparamagnetism, with ~1.9 μ(B)/Fe atom at 4 K for the low Fe-coverage, indicating stronger ferromagnetic coupling of individual magnetic moments, as compared to high Fe-coverage, where the calculated moments were only ~0.8 μ(B)/Fe atom. Such anomalous magnetic behavior, particularly for the low Fe-coverage case, is radically different from the non-magnetic bulk α-FeSi(2) phase, and may open new pathways to high-density magnetic memory storage devices.

Permafrost thaw and fire history: implications of boreal tree cover changes on land surface properties and turbulent energy fluxes in the Taiga Plains, Canada

NASA Astrophysics Data System (ADS)

Sonnentag, Oliver; Helbig, Manuel; Payette, Fanny; Wischnewski, Karoline; Kljun, Natascha; Chasmer, Laura; Pappas, Christoforos; Detto, Matteo; Baltzer, Jennifer; Quinton, William; Marsh, Philip

2016-04-01

Given their large areal coverage, high carbon densities, and unique land surface properties and disturbance regimes (e.g., wildfires), the world's boreal forests are integral components of the global and regional climate systems. A large portion of boreal forests contain permafrost, i.e., perennially cryotic ground. In the Taiga Plains ecozone in northwestern Canada, the northernmost boreal forests grow on cold (<-1.5 °C) and thick (>100 m) continuous permafrost (>90 % in areal extent). More southerly boreal forests occur in areas with discontinuous (>50 - 90 % in areal extent), sporadic (>10 - 50 % in areal extent) and isolated permafrost (<10 % in areal extent). Using annual MODIS Percent Tree Cover (PTC) data from the MOD44B product in combination with spatial information on fire history, and permafrost and drainage characteristics, we show that in low-lying, poorly-drained areas along the southern fringe of permafrost, thawing induces widespread decreases in PTC and dominates over PTC increases due to post-fire regrowth. In contrast, PTC appears to be slightly increasing in the central and northern Taiga Plains with more stable discontinuous and continuous permafrost, respectively. While these increases are partly explained by post-fire regrowth, more favourable growing conditions may also contribute to increasing PTC. To better understand the implications of permafrost thaw on land surface properties (e.g., aerodynamic conductance for heat [ga] and surface conductance for water vapour [gs]), and the turbulent fluxes of latent (LE) and sensible heat (H) along the southern fringe of permafrost, we examined nested eddy covariance flux measurements made at two nearby locations at Scotty Creek (61°18' N; 121°18' W) starting May 2013. The low-lying, poorly-drained southern portion of this 152 km2-watershed contains rapidly thawing sporadic permafrost resulting in a highly dynamic mosaic dominated by decreasing forested permafrost peat plateaus, and increasing permafrost-free wetlands. The spatial heterogeneities within the eddy covariance flux footprints (forest/wetland vs. wetland) were resolved with a two-dimensional footprint model parameterized with various remote sensing data sets. Our results suggest that an increasing coverage of wetlands at the expense of forests reduces ga and thus the efficiency of the land surface to transfer heat to the atmosphere. At the same time gs is increased and thus more moisture is lost to the atmosphere from saturated wetland surfaces. The alteration of bulk transfer land surface properties lead to drastic decreases in Bowen ratios by reducing H and increasing LE with increasing coverage of wetlands. The most pronounced contrasts between forests and wetlands are observed in H during the late snow cover period in April. We used a similar set of eddy covariance flux measurements made concurrently at Havikpak Creek (68°19' N; 133°31' W) and Trail Valley Creek (68°44' N; 133°26' W), a boreal forest and a nearby tundra site in the boreal-tundra ecotone, respectively, as a first-order proxy for potentially increasing PTC under more stable permafrost conditions in contrast to Scotty Creek. Preliminary results indicate trends in ga, gs, H and LE opposite to those observed at Scotty Creek between forests and wetlands. Our study demonstrates diverging implications of boreal tree cover changes on land surface properties and turbulent energy fluxes, thus on regional climate system feedback directions and strengths, as a function of permafrost conditions and fire history.

Melting Frozen Droplets Using Photo-Thermal Traps

NASA Astrophysics Data System (ADS)

Dash, Susmita; de Ruiter, Jolet; Varanasi, Kripa

2017-11-01

Ice buildup is an operational and safety hazard in wind turbines, power lines, and airplanes. While traditional de-icing methods are energy-intensive or environmentally unfriendly, passive anti-icing approach using superhydrophobic surfaces fails under humid conditions, which necessitates development of passive deicing methods. Here, we investigate a passive technique for deicing using a multi-layer surface design that can efficiently absorb and convert the incident solar radiation to heat. The corresponding increase in substrate temperature allows for easy removal of frozen droplets from the surface. We demonstrate the deicing performance of the designed surface both at very low temperatures, and under frost and snow coverage.

Droplet condensation on superhydrophobic surfaces with enhanced dewetting under a tangential AC electric field

NASA Astrophysics Data System (ADS)

Yan, Xinzhu; Li, Jian; Li, Licheng; Huang, Zhengyong; Wang, Feipeng; Wei, Yuan

2016-10-01

In this Letter, the dewetting behavior of superhydrophobic condensing surfaces under a tangential AC electric field is reported. The surface coverage of condensed droplets only exhibits a negligible increase with time. The jumping frequency of droplets is enhanced. The AC electric field motivates the dynamic transition of droplets from stretch to recoil, resulting in the counterforce propelling droplet jumping. The considerable horizontal component of jumping velocity facilitates droplet departure from superhydrophobic surfaces. Both the amplitude and frequency of AC voltage are important factors for droplet departure and dewetting effect. Thereby, the tangential electric field provides a unique and easily implementable approach to enhance droplet removal from superhydrophobic condensing surfaces.

Land and federal mineral ownership coverage for northwestern Colorado

USGS Publications Warehouse

Biewick, L.H.; Mercier, T.J.; Levitt, Pam; Deikman, Doug; Vlahos, Bob

1999-01-01

This Arc/Info coverage contains land status and Federal mineral ownership for approximately 26,800 square miles in northwestern Colorado. The polygon coverage (which is also provided here as a shapefile) contains two attributes of ownership information for each polygon. One attribute indicates where the surface is State owned, privately owned, or, if Federally owned, which Federal agency manages the land surface. The other attribute indicates which minerals, if any, are owned by the Federal govenment. This coverage is based on land status and Federal mineral ownership data compiled by the U.S. Geological Survey (USGS) and three Colorado State Bureau of Land Management (BLM) former district offices at a scale of 1:24,000. This coverage was compiled primarily to serve the USGS National Oil and Gas Resource Assessment Project in the Uinta-Piceance Basin Province and the USGS National Coal Resource Assessment Project in the Colorado Plateau.

Effect of solid surface charge on the binding behaviour of a metal-binding peptide

PubMed Central

Donatan, Senem; Sarikaya, Mehmet; Tamerler, Candan; Urgen, Mustafa

2012-01-01

Over the last decade, solid-binding peptides have been increasingly used as molecular building blocks coupling bio- and nanotechnology. Despite considerable research being invested in this field, the effects of many surface-related parameters that define the binding of peptide to solids are still unknown. In the quest to control biological molecules at solid interfaces and, thereby, tailoring the binding characteristics of the peptides, the use of surface charge of the solid surface may probably play an important role, which then can be used as a potential tuning parameter of peptide adsorption. Here, we report quantitative investigation on the viscoelastic properties and binding kinetics of an engineered gold-binding peptide, 3RGBP1, adsorbed onto the gold surface at different surface charge densities. The experiments were performed in aqueous solutions using an electrochemical dissipative quartz crystal microbalance system. Hydrodynamic mass, hydration state and surface coverage of the adsorbed peptide films were determined as a function of surface charge density of the gold metal substrate. Under each charged condition, binding of 3rGBP1 displayed quantitative differences in terms of adsorbed peptide amount, surface coverage ratio and hydration state. Based on the intrinsically disordered structure of the peptide, we propose a possible mechanism for binding of the peptide that can be used for tuning surface adsorption in further studies. Controlled alteration of peptide binding on solid surfaces, as shown here, may provide novel methods for surface functionalization used for bioenabled processing and fabrication of future micro- and nanodevices. PMID:22491974

Improve observation-based ground-level ozone spatial distribution by compositing satellite and surface observations: A simulation experiment

NASA Astrophysics Data System (ADS)

Zhang, Yuzhong; Wang, Yuhang; Crawford, James; Cheng, Ye; Li, Jianfeng

2018-05-01

Obtaining the full spatial coverage of daily surface ozone fields is challenging because of the sparsity of the surface monitoring network and the difficulty in direct satellite retrievals of surface ozone. We propose an indirect satellite retrieval framework to utilize the information from satellite-measured column densities of tropospheric NO2 and CH2O, which are sensitive to the lower troposphere, to derive surface ozone fields. The method is applicable to upcoming geostationary satellites with high-quality NO2 and CH2O measurements. To prove the concept, we conduct a simulation experiment using a 3-D chemical transport model for July 2011 over the eastern US. The results show that a second order regression using both NO2 and CH2O column densities can be an effective predictor for daily maximum 8-h average ozone. Furthermore, this indirect retrieval approach is shown to be complementary to spatial interpolation of surface observations, especially in regions where the surface sites are sparse. Combining column observations of NO2 and CH2O with surface site measurements leads to an improved representation of surface ozone over simple kriging, increasing the R2 value from 0.53 to 0.64 at a surface site distance of 252 km. The improvements are even more significant with larger surface site distances. The simulation experiment suggests that the indirect satellite retrieval technique can potentially be a useful tool to derive the full spatial coverage of daily surface ozone fields if satellite observation uncertainty is moderate.

The formation of diethyl ether via the reaction of iodoethane with atomic oxygen on the Ag(110) surface

NASA Astrophysics Data System (ADS)

Jones, G. Scott; Barteau, Mark A.; Vohs, John M.

1999-01-01

The reactions of iodoethane (ICH 2CH 3) on clean and oxygen-covered Ag(110) surfaces were investigated using temperature-programmed desorption (TPD) and high-resolution electron energy-loss spectroscopy (HREELS). Iodoethane adsorbs dissociatively at 150 K to produce surface ethyl groups on both clean and oxygen-covered Ag(110) surfaces. The ethyl species couple to form butane on both surfaces, with the desorption peak maximum located between 218 and 238 K, depending on the ethyl coverage. In addition to butane, a number of oxidation products including diethyl ether, ethanol, acetaldehyde, surface acetate, ethylene, carbon dioxide and water were formed on the oxygen-dosed Ag(110) surface. Diethyl ether was the major oxygenate produced at all ethyl:oxygen ratios, and the peak temperature for ether evolution varied from 220 to 266 K depending on the relative coverages of these reactants. The total combustion products, CO 2 and H 2O, were primarily formed at low ethyl coverages in the presence of excess oxygen. The formation of ethylene near 240 K probably involves an oxygen-assisted dehydrogenation pathway since ethylene is not formed from ethyl groups on the clean surface. Acetaldehyde and ethanol evolve coincidentally with a peak centered at 270-280 K, and are attributed to the reactions of surface ethoxide species. The surface acetate which decomposes near 620 K is formed from subsequent reactions of acetaldehyde with oxygen atoms. The addition of ethyl to oxygen to form surface ethoxides was verified by HREELS results. The yields of all products exhibited a strong dependence on the relative coverages of ethyl and oxygen.

Oxygen adsorption on the Al0.25Ga0.75N (0001) surface: A first-principles study

NASA Astrophysics Data System (ADS)

Fu, Jiaqi; Song, Tielei; Liang, Xixia; Zhao, Guojun

2018-04-01

To understand the interaction mechanism for the oxygen adsorption on AlGaN surface, herein, we built the possible models of oxygen adsorption on Al0.25Ga0.75N (0001) surface. For different oxygen coverage, three kinds of adsorption site are considered. Then the favorable adsorption sites are characterized by first principles calculation for (2 × 2) supercell of Al0.25Ga0.75N (0001) surface. On basis of the optimal adsorption structures, our calculated results show that all the adsorption processes are exothermic, indicating that the (0001) surface orientation is active towards the adsorption of oxygen. The doping of Al is advantage to the adsorption of O atom. Additionally, the adsorption energy decreases with reducing the oxygen coverage, and the relationship between them is approximately linear. Owing to the oxygen adsorption, the surface states in the fundamental band gap are significant reduced with respect to the free Al0.25Ga0.75N (0001) surface. Moreover, the optical properties on different oxygen coverage are also discussed.

Definition of the supraclavicular and infraclavicular nodes: implications for three-dimensional CT-based conformal radiation therapy.

PubMed

Madu, C N; Quint, D J; Normolle, D P; Marsh, R B; Wang, E Y; Pierce, L J

2001-11-01

To delineate with computed tomography (CT) the anatomic regions containing the supraclavicular (SCV) and infraclavicular (IFV) nodal groups, to define the course of the brachial plexus, to estimate the actual radiation dose received by these regions in a series of patients treated in the traditional manner, and to compare these doses to those received with an optimized dosimetric technique. Twenty patients underwent contrast material-enhanced CT for the purpose of radiation therapy planning. CT scans were used to study the location of the SCV and IFV nodal regions by using outlining of readily identifiable anatomic structures that define the nodal groups. The brachial plexus was also outlined by using similar methods. Radiation therapy doses to the SCV and IFV were then estimated by using traditional dose calculations and optimized planning. A repeated measures analysis of covariance was used to compare the SCV and IFV depths and to compare the doses achieved with the traditional and optimized methods. Coverage by the 90% isodose surface was significantly decreased with traditional planning versus conformal planning as the depth to the SCV nodes increased (P < .001). Significantly decreased coverage by using the 90% isodose surface was demonstrated for traditional planning versus conformal planning with increasing IFV depth (P = .015). A linear correlation was found between brachial plexus depth and SCV depth up to 7 cm. Conformal optimized planning provided improved dosimetric coverage compared with standard techniques.

SU-E-T-09: A Clinical Implementation and Optimized Dosimetry Study of Freiberg Flap Skin Surface Treatment in High Dose Rate Brachytherapy

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

Syh, J; Syh, J; Patel, B

Purpose: This case study was designated to confirm the optimized plan was used to treat skin surface of left leg in three stages. 1. To evaluate dose distribution and plan quality by alternating of the source loading catheters pattern in flexible Freiberg Flap skin surface (FFSS) applicator. 2. To investigate any impact on Dose Volume Histogram (DVH) of large superficial surface target volume coverage. 3. To compare the dose distribution if it was treated with electron beam. Methods: The Freiburg Flap is a flexible mesh style surface mold for skin radiation or intraoperative surface treatments. The Freiburg Flap consists ofmore » multiple spheres that are attached to each other, holding and guiding up to 18 treatment catheters. The Freiburg Flap also ensures a constant distance of 5mm from the treatment catheter to the surface. Three treatment trials with individual planning optimization were employed: 18 channels, 9 channels of FF and 6 MeV electron beam. The comparisons were highlighted in target coverage, dose conformity and dose sparing of surrounding tissues. Results: The first 18 channels brachytherapy plan was generated with 18 catheters inside the skin-wrapped up flap (Figure 1A). A second 9 catheters plan was generated associated with the same calculation points which were assigned to match prescription for target coverage as 18 catheters plan (Figure 1B). The optimized inverse plan was employed to reduce the dose to adjacent structures such as tibia or fibula. The comparison of DVH’s was depicted on Figure 2. External beam of electron RT plan was depicted in Figure 3. Overcall comparisons among these three were illustrated in Conclusion: The 9-channel Freiburg flap flexible skin applicator offers a reasonably acceptable plan without compromising the coverage. Electron beam was discouraged to use to treat curved skin surface because of low target coverage and high dose in adjacent tissues.« less

Influence of surface coverage on the chemical desorption process

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

Minissale, M.; Dulieu, F., E-mail: francois.dulieu@obspm.fr

2014-07-07

In cold astrophysical environments, some molecules are observed in the gas phase whereas they should have been depleted, frozen on dust grains. In order to solve this problem, astrochemists have proposed that a fraction of molecules synthesized on the surface of dust grains could desorb just after their formation. Recently the chemical desorption process has been demonstrated experimentally, but the key parameters at play have not yet been fully understood. In this article, we propose a new procedure to analyze the ratio of di-oxygen and ozone synthesized after O atoms adsorption on oxidized graphite. We demonstrate that the chemical desorptionmore » efficiency of the two reaction paths (O+O and O+O{sub 2}) is different by one order of magnitude. We show the importance of the surface coverage: for the O+O reaction, the chemical desorption efficiency is close to 80% at zero coverage and tends to zero at one monolayer coverage. The coverage dependence of O+O chemical desorption is proved by varying the amount of pre-adsorbed N{sub 2} on the substrate from 0 to 1.5 ML. Finally, we discuss the relevance of the different physical parameters that could play a role in the chemical desorption process: binding energy, enthalpy of formation, and energy transfer from the new molecule to the surface or to other adsorbates.« less

Investigation of trimethylacetic acid adsorption on stoichiometric and oxygen-deficient CeO 2 (111) surfaces

DOE PAGES

Sanghavi, Shail; Wang, Weina; Nandasiri, Manjula I.; ...

2016-05-12

We studied the interactions between the carboxylate anchoring group from trimethylacetic acid (TMAA) and CeO 2(111) surfaces as a function of oxygen stoichiometry using in situ X-ray photoelectron spectroscopy (XPS). The stoichiometric CeO 2(111) surface was obtained by annealing the thin film under 2.0 × 10 –5 Torr of oxygen at ~550 °C for 30 min. In order to reduce the CeO 2(111) surface, the thin film was annealed under ~5.0 × 10 –10 Torr vacuum conditions at 550 °C, 650 °C, 750 °C and 850 °C for 30 min to progressively increase the oxygen defect concentration on the surface.more » The saturated TMAA coverage on the CeO 2(111) surface determined from XPS elemental composition is found to increase with increasing oxygen defect concentration. This is attributed to the increase of under-coordinated cerium sites on the surface with the increase in the oxygen defect concentrations. Furthermore, XPS results were in agreement with periodic density functional theory (DFT) calculations and indicate a stronger binding between the carboxylate group from TMAA and the oxygen deficient CeO 2–δ(111) surface through dissociative adsorption.« less

L-Tryptophan on Cu(111): engineering a molecular labyrinth driven by indole groups

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

Yitamben, E. N.; Clayborne, A.; Darling, Seth B.

2015-05-21

The present article investigates the adsorption and molecular orientation of L-Tryptophan, which is both an essential amino acid important for protein synthesis and of particular interest for the development of chiral molecular electronics and biocompatible processes and devices, on Cu(111) using scanning tunneling microscopy and spectroscopy at 55 K and at room temperature. The arrangement of chemisorbed L-Tryptophan on the copper surface varies with both temperature and surface coverage. At low coverage, small clusters form on the surface irrespective of temperature, while at high coverage an ordered chain structure emerges at room temperature, and a tightly packed structure forms amore » molecular labyrinth at low temperature. The dominating superstructure of the adsorbates arises from intermolecular hydrogen bonding, and pi-bonding interactions between the indole groups of neighboring molecules and the Cu surface.« less

Experimental and Numerical Analysis of Microstructures and Stress States of Shot-Peened GH4169 Superalloys

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

Relationship between vegetation coverage and abundance, size, and diet of juvenile largemouth bass during winter

USGS Publications Warehouse

Miranda, L.E.; Pugh, L.L.

1997-01-01

Juvenile largemouth bass Micropterus salmoides were collected by electrofishing during October through March 1992-1994 from coves (???25 ha) covered with aquatic macrophytes over 1-65% of their area. Mean total length of juvenile largemouth bass was highest in coves with the least vegetated cover, but increase in mean length between October and March was highest in coves having near 20% vegetation coverage. Catch per unit effort decreased between October and March; decreases were least at vegetation coverages near 10-20%, highest at coverages of 5% or less, and intermediate at coverages of 30-65%. By March, these disparate decreases contributed to the formation of a dome-like relationship between vegetation coverage and catch per unit effort. Consumption of fish foods was highest when vegetation coverage was low, but decreased asymptotically as coverage increased; consumption of invertebrate foods increased at low coverage, peaked near 20-30% coverage, and decreased at higher coverage. We suggest that greater length increases and greater abundance at 10-25% vegetation coverage were stimulated by a favorable blend of food availability and cover. Our results support reports that maximum recruitment of largemouth bass occurs at intermediate levels of vegetation coverage, and we further suggests that such increased production is reinforced during winter, when survival, invertebrate consumption, and length increases are highest at intermediate levels of vegetation coverage.

Acetone and Water on TiO₂(110): H/D Exchange

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

Henderson, Michael A.

2005-04-12

Isotopic H/D exchange between coadsorbed acetone and water on the TiO?(110) surface was examined using temperature programmed desorption (TPD) as a function of coverage and two surface pretreatments (oxidation and reduction). Coadsorbed acetone and water interact repulsively on reduced TiO?(110) based on results from the companion paper to this study, with water exerting a greater influence in destabilizing acetone and acetone having only a nominal influence on water. Despite the repulsive interaction between these coadsorbates, about 0.02 ML of a 1 ML d6-acetone on the reduced surface exhibits H/D exchange with coadsorbed water, with the exchange occurring exclusively in themore » high temperature region of the d?-acetone TPD spectrum at {approx}340 K. The effect was confirmed with combinations of d?-acetone and D?O. The extent of exchange decreased on the reduced surface with water coverages above {approx}0.3 ML due to the ability of water to displace coadsorbed acetone from first layer sites to the multilayer. In contrast, the extent of exchange increased by a factor of 3 when the surface was pre-oxidized prior to coadsorption. In this case, there was no evidence for the negative influence of high water coverages on the extent of H/D exchange. Comparison of the TPD spectra from the exchange products (either d?- or d?-acetone depending on the coadsorption pairing) suggests that, in addition to the 340 K exchange process seen on the reduced surface, a second exchange process was observed on the oxidized surface at {approx}390 K. In both cases (oxidized and reduced), desorption of the H/D exchange products appeared to be reaction limited and to involve the influence of OH/OD groups (or water formed during recombinative desorption of OH/OD groups) instead of molecularly adsorbed water. The 340 K exchange process is assigned to reaction at step sites and the 390 K exchange process is attributed to the influence of oxygen adatoms deposited during surface oxidation. The H/D exchange mechanism likely involves an enolate or propenol surface intermediate formed transiently during the desorption of oxygen-stabilized acetone molecules.« less

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

NASA Astrophysics Data System (ADS)

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.

Confronting the surface temperature cold bias in AGCMs over the Tibetan Plateau and improving climate simulations

NASA Astrophysics Data System (ADS)

Wu, G. X.; Liu, Y.; Bao, Q.; Chen, X.; Li, J.

2017-12-01

One of the mid-term progresses of the NSFC- Key Research Program "Land-air Coupling over the Tibetan Plateau and Its Climate Impact " is presented. The elevated heating in summer and cooling in winter of the Tibetan Plateau significantly regulate the seasonal change of the atmospheric circulation and exert remarkable impacts on world climate. Recent studies have demonstrated that the majority of the Phase-5 Coupled Model Inter-comparison Project (CMIP5) models underestimate annual and seasonal mean surface air temperatures (Ta) over the Tibetan Plateau (TP). In addition, more than half of the models underestimate annual and seasonal mean surface temperatures (Ts) over the TP. These cold biases are larger over the western TP. By decomposing the Ts bias using the surface energy budget equation, it was demonstrated that this TP's cold bias can be attributed to various factors, in which the stronger bias in surface albedo (a-) and the weaker bias in clear-sky downward Longwave radiation (DLR) play the most significant roles. Since a- and DLR are respectively affected by snow coverage fraction at the ground surface and water vapor content in the atmosphere, these results then imply that the cold bias over the TP is caused by too large snow coverage fraction and too less water vapor content over the TP in the models. The FAMIL AGCM model developed at LASG also suffers from the similar cold bias over the TP. By introducing the 3D- Radiative Transfer Parameterization Over Mountains/Snow (Liou, 2013) into the model, the total solar radiation reaching the ground surface is increased during the daytime, resulting in more snowmelt and less snow coverage. Accordingly, surface albedo is decreased on the sunny side of the mountains, and the surface cold bias over mountain areas is decreased. It is shown that the improvement is sensitive to the model resolution: increased the horizontal resolution of Community Land Model version 4.0 (CLM 4.0) from nearly 200km (1.9o×2.5o) to about 25km (0.23o×0.31o) can significantly improve the parameterization effect and accuracy, with more notably improvement appearing in Spring. It is demonstrated that, by stimulating a Rossby wave and strengthen the precipitation in subtropical frontal zone of East Asia, the decrement of clod bias over the TP can greatly improve the climate simulations of the model.

A 15,400-year record of environmental magnetic variations in sub-alpine lake sediments from the western Nanling Mountains in South China: Implications for palaeoenvironmental changes

NASA Astrophysics Data System (ADS)

Zhong, Wei; Wei, Zhiqiang; Shang, Shentan; Ye, Susu; Tang, Xiaowen; Zhu, Chan; Xue, Jibin; Ouyang, Jun; Smol, John P.

2018-04-01

A detailed environmental magnetic investigation has been performed on a sub-alpine sedimentary succession deposited over the past 15,400 years in Daping Swamp in the western Nanling Mountains of South China. Magnetic parameters reveal that fine grains of pseudo-single domain (PSD) magnetite or titanomagnetite are the dominant magnetic minerals in the lake sediments and surface soils collected from the catchment, which suggests that magnetic minerals in lake sediments mainly originated from surface soil erosion of the catchment. Variation of surface runoff caused by rainfall is interpreted as the main process for transportation of weathered soils into the lake. In the Last Deglacial period (LGP, 15,400-11,500 cal a BP), the influx of magnetic minerals of detrital material may have been significantly affected by the severe dry and cold conditions of the Last Glacial Maximum. Stabilised conditions of the catchment associated with increased vegetation coverage (e.g., 8000-4500 and 2500-1000 cal a BP) limited the input of magnetic minerals. Intensive soil erosion caused by increased human activity may have given rise to abnormal increases in multiple magnetic parameters after 1000 cal a BP. Because changes in runoff and vegetation coverage are closely related to Asian summer monsoon (ASM) intensity, the sedimentary magnetism of Daping Swamp provides another source of information to investigate the evolution of the ASM.

4H-SiC surface energy tuning by nitrogen up-take

NASA Astrophysics Data System (ADS)

Pitthan, E.; Amarasinghe, V. P.; Xu, C.; Gustafsson, T.; Stedile, F. C.; Feldman, L. C.

2017-04-01

Surface energy modification and surface wettability of 4H silicon carbide (0001) as a function of nitrogen adsorption is reported. The surface wettability is shown to go from primarily hydrophilic to hydrophobic and the surface energy was significantly reduced with increasing nitrogen incorporation. These changes are investigated by x-ray photoelectron spectroscopy and contact angle measurements. The surface energy was quantitatively determined by the Fowkes model and interpreted primarily in terms of the variation of the surface chemistry with nitrogen coverage. Variable control of SiC surface energies with a simple and controllable atomic additive such as nitrogen that is inert to etching, stable against time, and also effective in electrical passivation, can provide new opportunities for SiC biomedical applications, where surface wetting plays an important role in the interaction with the biological interfaces.

Initial oxidation behavior of Ni3Al (210) surface induced by supersonic oxygen molecular beam at room temperature

NASA Astrophysics Data System (ADS)

Xu, Ya; Sakurai, Junya; Teraoka, Yuden; Yoshigoe, Akitaka; Demura, Masahiko; Hirano, Toshiyuki

2017-01-01

The initial oxidation behavior of a clean Ni3Al (210) surface was studied at 300 K using a supersonic O2 molecular beam (O2 SSMB) having an O2 translational energy of 2.3 eV, and real-time photoemission spectroscopy performed with high-brilliance synchrotron radiation. The evolution behaviors of the O 1s, Ni 2p, Al 2p, and Ni 3p spectra were examined during irradiation with the O2 SSMB. The spectral analysis revealed that both the Al atoms and the Ni atoms on the surface were oxidized; however, the oxidation of Al progressed much faster than that of Ni. The oxidation of Al began to occur and AlOx was formed at an oxygen coverage of 0.26 monolayer (ML) (1 ML was defined as the atomic density of the Ni3Al (210) surface) and saturated at an oxygen coverage of 2.5 ML. In contrast, the oxidation of Ni commenced a little late at an oxygen coverage of 1.6 ML and slowly progressed to saturation, which occurred at an oxygen coverage of 4.89 ML.

Electron-stimulated reactions in nanoscale water films adsorbed on (alpha)-Al2O3(0001)

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

Petrik, Nikolay G.; Kimmel, Gregory A.

2018-05-11

The radiation-induced decomposition and desorption of nanoscale amorphous solid water (D2O) films adsorbed on -Al2O3(0001) surface was studied at low temperature in ultrahigh vacuum using temperature programmed desorption (TPD) and electron stimulated desorption (ESD) with a mono-energetic, low energy electron source. ESD yields of molecular products ( D2, O2 and D¬2O) and the total sputtering yield increased with increasing D2O coverage up to ~15 water monolayers (i.e. ~15 1015 cm-2) to a coverage-independent level for thicker water films. Experiments with isotopically-layered water films (D2O and H2O) demonstrated that the highest water decomposition yields occurred at the interfaces of the nanoscalemore » water films with the alumina substrate and vacuum. However, the increased reactivity of the water/alumina interface is relatively small compared to the enhancements in the non-thermal reactions previously observed at the water/Pt(111) and water/TiO2(110) interfaces. We propose that the relatively low activity of Al2O3(0001) for the radiation-induced production of molecular hydrogen is associated with lower reactivity of this surface with hydrogen atoms, which are likely precursors for the molecular hydrogen.« less

Electron-stimulated reactions in nanoscale water films adsorbed on α-Al 2 O 3 (0001)

DOE PAGES

Petrik, Nikolay G.; Kimmel, Greg A.

2018-04-11

The radiation-induced decomposition and desorption of nanoscale amorphous solid water (D 2O) films adsorbed on an α-Al 2O 3(0001) surface was studied at low temperature in ultrahigh vacuum using temperature programmed desorption (TPD) and electron stimulated desorption (ESD) with a mono-energetic, low energy electron source. ESD yields of molecular products (D 2, O 2 and D 2O) and the total sputtering yield increased with increasing D 2O coverage up to ~15 water monolayers (i.e. ~15 x 10 15 cm -2) to a coverage-independent level for thicker water films. Experiments with isotopically-layered water films (D 2O and H 2O) demonstrated thatmore » the highest water decomposition yields occurred at the interfaces of the nanoscale water films with the alumina substrate and vacuum. However, the increased reactivity of the water/alumina interface is relatively small compared to the enhancements in the non-thermal reactions previously observed at the water/Pt(111) and water/TiO 2(110) interfaces. Here, we propose that the relatively low activity of Al 2O 3(0001) for the radiation-induced production of molecular hydrogen is associated with lower reactivity of this surface with hydrogen atoms, which are likely precursors for the formation of molecular hydrogen.« less

Electron-stimulated reactions in nanoscale water films adsorbed on α-Al 2 O 3 (0001)

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

Petrik, Nikolay G.; Kimmel, Greg A.

The radiation-induced decomposition and desorption of nanoscale amorphous solid water (D 2O) films adsorbed on an α-Al 2O 3(0001) surface was studied at low temperature in ultrahigh vacuum using temperature programmed desorption (TPD) and electron stimulated desorption (ESD) with a mono-energetic, low energy electron source. ESD yields of molecular products (D 2, O 2 and D 2O) and the total sputtering yield increased with increasing D 2O coverage up to ~15 water monolayers (i.e. ~15 x 10 15 cm -2) to a coverage-independent level for thicker water films. Experiments with isotopically-layered water films (D 2O and H 2O) demonstrated thatmore » the highest water decomposition yields occurred at the interfaces of the nanoscale water films with the alumina substrate and vacuum. However, the increased reactivity of the water/alumina interface is relatively small compared to the enhancements in the non-thermal reactions previously observed at the water/Pt(111) and water/TiO 2(110) interfaces. Here, we propose that the relatively low activity of Al 2O 3(0001) for the radiation-induced production of molecular hydrogen is associated with lower reactivity of this surface with hydrogen atoms, which are likely precursors for the formation of molecular hydrogen.« less

Density functional theory with van der waals corrections study of the adsorption of alkyl, alkylthiol, alkoxyl, and amino-alkyl chains on the H:Si(111) surface.

PubMed

Arefi, Hadi H; Nolan, Michael; Fagas, Giorgos

2014-11-11

Surface modification of silicon with organic monolayers tethered to the surface by different linkers is an important process in realizing future miniaturized electronic and sensor devices. Understanding the roles played by the nature of the linking group and the chain length on the adsorption structures and stabilities of these assemblies is vital to advance this technology. This paper presents a density functional theory (DFT) study of the hydrogen passivated Si(111) surface modified with alkyl chains of the general formula H:Si-(CH2)n-CH2 and H:Si-X-(CH2)n-CH3, where X = NH, O, S and n = (0, 1, 3, 5, 7, 9, 11), at half coverage. For (X)-hexane and (X)-dodecane functionalization, we also examined various coverages up to full monolayer grafting in order to validate the result of half covered surface and the linker effect on the coverage. We find that it is necessary to take into account the van der Waals interaction between the alkyl chains. The strongest binding is for the oxygen linker, followed by S, N, and C, irrespective of chain length. The result revealed that the sequence of the stability is independent of coverage; however, linkers other than carbon can shift the optimum coverage considerably and allow further packing density. For all linkers apart from sulfur, structural properties, in particular, surface-linker-chain angles, saturate to a single value once n > 3. For sulfur, we identify three regimes, namely, n = 0-3, n = 5-7, and n = 9-11, each with its own characteristic adsorption structures. Where possible, our computational results are shown to be consistent with the available experimental data and show how the fundamental structural properties of modified Si surfaces can be controlled by the choice of linking group and chain length.

Soft Landing of Bare Nanoparticles with Controlled Size, Composition, and Morphology

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

Johnson, Grant E.; Colby, Robert J.; Laskin, Julia

2015-01-01

A kinetically-limited physical synthesis method based on magnetron sputtering and gas aggregation has been coupled with size-selection and ion soft landing to prepare bare metal nanoparticles on surfaces with controlled coverage, size, composition, and morphology. Employing atomic force microscopy (AFM) and scanning electron microscopy (SEM), it is demonstrated that the size and coverage of bare nanoparticles soft landed onto flat glassy carbon and silicon as well as stepped graphite surfaces may be controlled through size-selection with a quadrupole mass filter and the length of deposition, respectively. The bare nanoparticles are observed with AFM to bind randomly to the flat glassymore » carbon surface when soft landed at relatively low coverage (1012 ions). In contrast, on stepped graphite surfaces at intermediate coverage (1013 ions) the soft landed nanoparticles are shown to bind preferentially along step edges forming extended linear chains of particles. At the highest coverage (5 x 1013 ions) examined in this study the nanoparticles are demonstrated with both AFM and SEM to form a continuous film on flat glassy carbon and silicon surfaces. On a graphite surface with defects, however, it is shown with SEM that the presence of localized surface imperfections results in agglomeration of nanoparticles onto these features and the formation of neighboring depletion zones that are devoid of particles. Employing high resolution scanning transmission electron microscopy in the high angular annular dark field imaging mode (STEM-HAADF) and electron energy loss spectroscopy (EELS) it is demonstrated that the magnetron sputtering/gas aggregation synthesis technique produces single metal particles with controlled morphology as well as bimetallic alloy nanoparticles with clearly defined core-shell structure. Therefore, this kinetically-limited physical synthesis technique, when combined with ion soft landing, is a versatile complementary method for preparing a wide range of bare supported nanoparticles with selected properties that are free of the solvent, organic capping agents, and residual reactants present with nanoparticles synthesized in solution.« less

Structural and electronic properties of AlN(0001) surface under partial N coverage as determined by ab initio approach

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

Strak, Pawel; Sakowski, Konrad; Kempisty, Pawel

2015-09-07

Properties of bare and nitrogen-covered Al-terminated AlN(0001) surface were determined using density functional theory (DFT) calculations. At a low nitrogen coverage, the Fermi level is pinned by Al broken bond states located below conduction band minimum. Adsorption of nitrogen is dissociative with an energy gain of 6.05 eV/molecule at a H3 site creating an overlap with states of three neighboring Al surface atoms. During this adsorption, electrons are transferred from Al broken bond to topmost N adatom states. Accompanying charge transfer depends on the Fermi level. In accordance with electron counting rule (ECR), the DFT results confirm the Fermi levelmore » is not pinned at the critical value of nitrogen coverage θ{sub N}(1) = 1/4 monolayer (ML), but it is shifted from an Al-broken bond state to Np{sub z} state. The equilibrium thermodynamic potential of nitrogen in vapor depends drastically on the Fermi level pinning being shifted by about 4 eV for an ECR state at 1/4 ML coverage. For coverage above 1/4 ML, adsorption is molecular with an energy gain of 1.5 eV at a skewed on-top position above an Al surface atom. Electronic states of the admolecule are occupied as in the free molecule, no electron transfer occurs and adsorption of a N{sub 2} molecule does not depend on the Fermi level. The equilibrium pressure of molecular nitrogen above an AlN(0001) surface depends critically on the Fermi level position, being very low and very high for low and high coverage, respectively. From this fact, one can conclude that at typical growth conditions, the Fermi level is not pinned, and the adsorption and incorporation of impurities depend on the position of Fermi level in the bulk.« less

Aligning Solution-Derived Carbon Nanotube Film with Full Surface Coverage for High-Performance Electronics Applications.

PubMed

Zhu, Ma-Guang; Si, Jia; Zhang, Zhiyong; Peng, Lian-Mao

2018-06-01

The main challenge for application of solution-derived carbon nanotubes (CNTs) in high performance field-effect transistor (FET) is how to align CNTs into an array with high density and full surface coverage. A directional shrinking transfer method is developed to realize high density aligned array based on randomly orientated CNT network film. Through transferring a solution-derived CNT network film onto a stretched retractable film followed by a shrinking process, alignment degree and density of CNT film increase with the shrinking multiple. The quadruply shrunk CNT films present well alignment, which is identified by the polarized Raman spectroscopy and electrical transport measurements. Based on the high quality and high density aligned CNT array, the fabricated FETs with channel length of 300 nm present ultrahigh performance including on-state current I on of 290 µA µm -1 (V ds = -1.5 V and V gs = -2 V) and peak transconductance g m of 150 µS µm -1 , which are, respectively, among the highest corresponding values in the reported CNT array FETs. High quality and high semiconducting purity CNT arrays with high density and full coverage obtained through this method promote the development of high performance CNT-based electronics. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fluorine atom abstraction by Si(100). I. Experimental

NASA Astrophysics Data System (ADS)

Tate, M. R.; Gosalvez-Blanco, D.; Pullman, D. P.; Tsekouras, A. A.; Li, Y. L.; Yang, J. J.; Laughlin, K. B.; Eckman, S. C.; Bertino, M. F.; Ceyer, S. T.

1999-08-01

In the interaction of low energy F2 with Si(100) at 250 K, a dissociative chemisorption mechanism called atom abstraction is identified in which only one of the F atoms is adsorbed while the other F atom is scattered into the gas phase. The dynamics of atom abstraction are characterized via time-of-flight measurements of the scattered F atoms. The F atoms are translationally hyperthermal but only carry a small fraction (˜3%) of the tremendous exothermicity of the reaction. The angular distribution of F atoms is unusually broad for the product of an exothermic reaction. These results suggest an "attractive" interaction potential between F2 and the Si dangling bond with a transition state that is not constrained geometrically. These results are in disagreement with the results of theoretical investigations implying that the available potential energy surfaces are inadequate to describe the dynamics of this gas-surface interaction. In addition to single atom abstraction, two atom adsorption, a mechanism analogous to classic dissociative chemisorption in which both F atoms are adsorbed onto the surface, is also observed. The absolute probability of the three scattering channels (single atom abstraction, two atom adsorption, and unreactive scattering) for an incident F2 are determined as a function of F2 exposure. The fluorine coverage is determined by integrating the reaction probabilities over F2 exposure, and the reaction probabilities are recast as a function of fluorine coverage. Two atom adsorption is the dominant channel [P2=0.83±0.03(95%, N=9)] in the limit of zero coverage and decays monotonically to zero. Single atom abstraction is the minor channel (P1=0.13±0.03) at low coverage but increases to a maximum (P1=0.35±0.08) at about 0.5 monolayer (ML) coverage before decaying to zero. The reaction ceases at 0.94±0.11(95%, N=9) ML. Thermal desorption and helium diffraction confirm that the dangling bonds are the abstraction and adsorption sites. No Si lattice bonds are broken, in contrast to speculation by other investigators that the reaction exothermicity causes lattice disorder.

Study of the blue-green laser scattering from the rough sea surface with foams by the improved two-scale method

NASA Astrophysics Data System (ADS)

Li, Xiangzhen; Qi, Xiao; Han, Xiang'e.

2015-10-01

The characteristics of laser scattering from sea surface have a great influence on application performance, from submarine communication, laser detection to laser diffusion communication. Foams will appear when the wind speed exceeds a certain value, so the foam can be seen everywhere in the upper layer of the ocean. Aiming at the volume-surface composite model of rough sea surface with foam layer driven by wind, and the similarities and differences of scattering characteristics between blue-green laser and microwave, an improved two-scale method for blue-green laser to calculate the scattering coefficient is presented in this paper. Based on the improved two-scale rough surface scattering theory, MIE theory and VRT( vector radiative transfer ) theory, the relations between the foam coverage of the sea surface and wind speed and air-sea temperature difference are analyzed. Aiming at the Gauss sea surface in blue-green laser, the dependence of back- and bistatie-scattering coefficient on the incident and azimuth angle, the coverage of foams, as well as the wind speed are discussed in detail. The results of numerical simulations are compared and analyzed in this paper. It can be concluded that the foam layer has a considerable effect on the laser scattering with the increase of wind speed, especially for a large incident angle. Theoretical analysis and numerical simulations show that the improved two-scale method is reasonable and efficient.

Peano-like paths for subaperture polishing of optical aspherical surfaces.

PubMed

Tam, Hon-Yuen; Cheng, Haobo; Dong, Zhichao

2013-05-20

Polishing can be more uniform if the polishing path provides uniform coverage of the surface. It is known that Peano paths can provide uniform coverage of planar surfaces. Peano paths also contain short path segments and turns: (1) all path segments have the same length, (2) path segments are mutually orthogonal at the turns, and (3) path segments and turns are uniformity distributed over the domain surface. These make Peano paths an attractive candidate among polishing tool paths because they enhance multidirectional approaches of the tool to each surface location. A method for constructing Peano paths for uniform coverage of aspherical surfaces is proposed in this paper. When mapped to the aspherical surface, the path also contains short path segments and turns, and the above attributes are approximately preserved. Attention is paid so that the path segments are still well distributed near the vertex of the surface. The proposed tool path was used in the polishing of a number of parabolic BK7 specimens using magnetorheological finishing (MRF) and pitch with cerium oxide. The results were rather good for optical lenses and confirm that a Peano-like path was useful for polishing, for MRF, and for pitch polishing. In the latter case, the surface roughness achieved was 0.91 nm according to WYKO measurement.

Nanoporous Gold as a Neural Interface Coating: Effects of Topography, Surface Chemistry, and Feature Size

DOE PAGES

Chapman, Christopher A. R.; Chen, Hao; Stamou, Marianna; ...

2015-02-23

We report that designing neural interfaces that maintain close physical coupling of neurons to an electrode surface remains a major challenge for both implantable and in vitro neural recording electrode arrays. Typically, low-impedance nanostructured electrode coatings rely on chemical cues from pharmaceuticals or surface-immobilized peptides to suppress glial scar tissue formation over the electrode surface (astrogliosis), which is an obstacle to reliable neuron–electrode coupling. Nanoporous gold (np-Au), produced by an alloy corrosion process, is a promising candidate to reduce astrogliosis solely through topography by taking advantage of its tunable length scale. In the present in vitro study on np-Au’s interactionmore » with cortical neuron–glia co-cultures, we demonstrate that the nanostructure of np-Au achieves close physical coupling of neurons by maintaining a high neuron-to-astrocyte surface coverage ratio. Atomic layer deposition-based surface modification was employed to decouple the effect of morphology from surface chemistry. Additionally, length scale effects were systematically studied by controlling the characteristic feature size of np-Au through variations in the dealloying conditions. In conclusion, our results show that np-Au nanotopography, not surface chemistry, reduces astrocyte surface coverage while maintaining high neuronal coverage and may enhance neuron–electrode coupling through nanostructure-mediated suppression of scar tissue formation.« less

Estimating ice albedo from fine debris cover quantified by a semi-automatic method: the case study of Forni Glacier, Italian Alps

NASA Astrophysics Data System (ADS)

Azzoni, Roberto Sergio; Senese, Antonella; Zerboni, Andrea; Maugeri, Maurizio; Smiraglia, Claudio; Diolaiuti, Guglielmina Adele

2016-03-01

In spite of the quite abundant literature focusing on fine debris deposition over glacier accumulation areas, less attention has been paid to the glacier melting surface. Accordingly, we proposed a novel method based on semi-automatic image analysis to estimate ice albedo from fine debris coverage (d). Our procedure was tested on the surface of a wide Alpine valley glacier (the Forni Glacier, Italy), in summer 2011, 2012 and 2013, acquiring parallel data sets of in situ measurements of ice albedo and high-resolution surface images. Analysis of 51 images yielded d values ranging from 0.01 to 0.63 and albedo was found to vary from 0.06 to 0.32. The estimated d values are in a linear relation with the natural logarithm of measured ice albedo (R = -0.84). The robustness of our approach in evaluating d was analyzed through five sensitivity tests, and we found that it is largely replicable. On the Forni Glacier, we also quantified a mean debris coverage rate (Cr) equal to 6 g m-2 per day during the ablation season of 2013, thus supporting previous studies that describe ongoing darkening phenomena at Alpine debris-free glaciers surface. In addition to debris coverage, we also considered the impact of water (both from melt and rainfall) as a factor that tunes albedo: meltwater occurs during the central hours of the day, decreasing the albedo due to its lower reflectivity; instead, rainfall causes a subsequent mean daily albedo increase slightly higher than 20 %, although it is short-lasting (from 1 to 4 days).

High Activity of Au/K/TiO 2(110) for CO Oxidation: Alkali-Metal-Enhanced Dispersion of Au and Bonding of CO

DOE PAGES

Rodriguez, Jose A.; Grinter, David C.; Ramirez, Pedro J.; ...

2018-02-14

In this paper, images from scanning tunneling microscopy show high mobility for potassium (K) on an oxidized TiO 2(110) surface. At low coverages, the alkali metal occupies mainly terrace sites of the o-TiO 2(110) system. The results of X-ray photoelectron spectroscopy indicate that K is fully ionized. The electron transferred from K to the titania affects the reactivity of this oxide, favoring the dispersion of Au particles on the terraces of the o-TiO 2(110) surface. When small coverages of K and Au are present on the o-TiO 2(110) system, only a few K–Au pairs are formed and the alkali metalmore » affects Au chemisorption mainly through the oxide interactions. Addition of K to Au/o-TiO 2(110) enhances the reactivity of the system, opening new reaction paths for the adsorption and oxidation of carbon monoxide. CO can undergo disproportionation (2CO → C ads + CO 2,ads) on K/o-TiO 2(110) and Au/K/o-TiO 2(110) surfaces. The Au–KO x interface binds CO much better than plain Au–TiO 2, increasing the surface coverage of CO and facilitating its oxidation. Kinetic tests show that K promotes CO oxidation on Au/TiO 2. Finally, turnover frequencies of 2.1 and 10.8 molecules (Au site) -1 s –1 were calculated for oxidation of CO on Au/o-TiO 2(110) and Au/K/o-TiO 2(110) catalysts, respectively.« less

High Activity of Au/K/TiO 2(110) for CO Oxidation: Alkali-Metal-Enhanced Dispersion of Au and Bonding of CO

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

Rodriguez, Jose A.; Grinter, David C.; Ramirez, Pedro J.

In this paper, images from scanning tunneling microscopy show high mobility for potassium (K) on an oxidized TiO 2(110) surface. At low coverages, the alkali metal occupies mainly terrace sites of the o-TiO 2(110) system. The results of X-ray photoelectron spectroscopy indicate that K is fully ionized. The electron transferred from K to the titania affects the reactivity of this oxide, favoring the dispersion of Au particles on the terraces of the o-TiO 2(110) surface. When small coverages of K and Au are present on the o-TiO 2(110) system, only a few K–Au pairs are formed and the alkali metalmore » affects Au chemisorption mainly through the oxide interactions. Addition of K to Au/o-TiO 2(110) enhances the reactivity of the system, opening new reaction paths for the adsorption and oxidation of carbon monoxide. CO can undergo disproportionation (2CO → C ads + CO 2,ads) on K/o-TiO 2(110) and Au/K/o-TiO 2(110) surfaces. The Au–KO x interface binds CO much better than plain Au–TiO 2, increasing the surface coverage of CO and facilitating its oxidation. Kinetic tests show that K promotes CO oxidation on Au/TiO 2. Finally, turnover frequencies of 2.1 and 10.8 molecules (Au site) -1 s –1 were calculated for oxidation of CO on Au/o-TiO 2(110) and Au/K/o-TiO 2(110) catalysts, respectively.« less

Influence of Polyoxometalate Protecting Ligands on Catalytic Aerobic Oxidation at the Surfaces of Gold Nanoparticles in Water.

PubMed

Zhang, Mingfu; Hao, Jingcheng; Neyman, Alevtina; Wang, Yifeng; Weinstock, Ira A

2017-03-06

Metal oxide cluster-anion (polyoxometalate, or POM) protecting ligands, [α-PW 11 O 39 ] 7- (1), modify the rates at which 14 nm gold nanoparticles (Au NPs) catalyze an important model reaction, the aerobic (O 2 ) oxidation of CO to CO 2 in water. At 20 °C and pH 6.2, the following stoichiometry was observed: CO + O 2 + H 2 O = CO 2 + H 2 O 2 . After control experiments verified that the H 2 O 2 product was sufficiently stable and did not react with 1 under turnover conditions, quantitative analysis of H 2 O 2 was used to monitor the rates of CO oxidation, which increased linearly with the percent coverage of the Au NPs by 1 (0-64% coverage, with the latter value corresponding to 211 ± 19 surface-bound molecules of 1). X-ray photoelectron spectroscopy of Au NPs protected by a series of POM ligands (K + salts): 1, the Wells-Dawson ion [α-P 2 W 18 O 62 ] 6- (2) and the monodefect Keggin anion [α-SiW 11 O 39 ] 8- (3) revealed that binding energies of electrons in the Au 4f 7/2 and 4f 5/2 atomic orbitals decreased as a linear function of the POM charge and percent coverage of Au NPs, providing a direct correlation between the electronic effects of the POMs bound to the surfaces of the Au NPs and the rates of CO oxidation by O 2 . Additional data show that this effect is not limited to POMs but occurs, albeit to a lesser extent, when common anions capable of binding to Au-NP surfaces, such as citrate or phosphate, are present.

Peierls instability as the insulating origin of the Na/Si(111)-(3 × 1) surface with a Na coverage of 2/3 monolayers

NASA Astrophysics Data System (ADS)

Kang, Myung Ho; Kwon, Se Gab; Jung, Sung Chul

2018-03-01

Density functional theory (DFT) calculations are used to investigate the insulating origin of the Na/Si(111)-(3 × 1) surface with a Na coverage of 2/3 monolayers. In the coverage definition, one monolayer refers to one Na atom per surface Si atom, so this surface contains an odd number of electrons (i.e., three Si dangling-bond electrons plus two Na electrons) per 3 × 1 unit cell. Interestingly, this odd-electron surface has been ascribed to a Mott-Hubbard insulator to account for the measured insulating band structure with a gap of about 0.8 eV. Here, we instead propose a Peierls instability as the origin of the experimental band gap. The concept of Peierls instability is fundamental in one-dimensional metal systems but has not been taken into account in previous studies of this surface. Our DFT calculations demonstrate that the linear chain structure of Si dangling bonds in this surface is energetically unstable with respect to a × 2 buckling modulation, and the buckling-induced band gap of 0.79 eV explains well the measured insulating nature.

Enhancing droplet deposition through in-situ precipitation

PubMed Central

Damak, Maher; Mahmoudi, Seyed Reza; Hyder, Md Nasim; Varanasi, Kripa K.

2016-01-01

Retention of agricultural sprays on plant surfaces is an important challenge. Bouncing of sprayed pesticide droplets from leaves is a major source of soil and groundwater pollution and pesticide overuse. Here we report a method to increase droplet deposition through in-situ formation of hydrophilic surface defects that can arrest droplets during impact. Defects are created by simultaneously spraying oppositely charged polyelectrolytes that induce surface precipitation when two droplets come into contact. Using high-speed imaging, we study the coupled dynamics of drop impact and surface precipitate formation. We develop a physical model to estimate the energy dissipation by the defects and predict the transition from bouncing to sticking. We demonstrate macroscopic enhancements in spray retention and surface coverage for natural and synthetic non-wetting surfaces and provide insights into designing effective agricultural sprays. PMID:27572948

Enhancing droplet deposition through in-situ precipitation

NASA Astrophysics Data System (ADS)

Damak, Maher; Mahmoudi, Seyed Reza; Hyder, Md Nasim; Varanasi, Kripa K.

2016-08-01

Retention of agricultural sprays on plant surfaces is an important challenge. Bouncing of sprayed pesticide droplets from leaves is a major source of soil and groundwater pollution and pesticide overuse. Here we report a method to increase droplet deposition through in-situ formation of hydrophilic surface defects that can arrest droplets during impact. Defects are created by simultaneously spraying oppositely charged polyelectrolytes that induce surface precipitation when two droplets come into contact. Using high-speed imaging, we study the coupled dynamics of drop impact and surface precipitate formation. We develop a physical model to estimate the energy dissipation by the defects and predict the transition from bouncing to sticking. We demonstrate macroscopic enhancements in spray retention and surface coverage for natural and synthetic non-wetting surfaces and provide insights into designing effective agricultural sprays.

Surface morphology of vacuum-evaporated pentacene film on Si substrate studied by in situ grazing-incidence small-angle X-ray scattering: I. The initial stage of formation of pentacene film

NASA Astrophysics Data System (ADS)

Hirosawa, Ichiro; Watanabe, Takeshi; Koganezawa, Tomoyuki; Kikuchi, Mamoru; Yoshimoto, Noriyuki

2018-03-01

The progress of the surface morphology of a growing sub-monolayered pentacene film on a Si substrate was studied by in situ grazing-incidence small angle X-ray scattering (GISAXS). The observed GISAXS profiles did not show sizes of pentacene islands but mainly protuberances on the boundaries around pentacene film. Scattering of X-ray by residual pits in the pentacene film was also detected in the GISAXS profiles of an almost fully covered film. The average radius of pentacene protuberances increased from 13 to 24 nm as the coverage increased to 0.83 monolayer, and the most frequent radius was almost constant at approximately 9 nm. This result suggests that the population of larger protuberances increase with increasing lengths of boundaries of the pentacene film. It can also be considered that the detected protuberances were crystallites of pentacene, since the average size of protuberances was nearly equal to crystallite sizes of pentacene films. The almost constant characteristic distance of 610 nm and amplitudes of pair correlation functions at low coverages suggest that the growth of pentacene films obeyed the diffusion-limited aggregation (DLA) model, as previously reported. It is also considered that the sites of islands show a triangular distribution for small variations of estimated correlation distances.

Surface states and annihilation characteristics of positrons trapped at the oxidized Cu(100) surface

NASA Astrophysics Data System (ADS)

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

2013-06-01

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

Remote sensing of surface currents with single shipborne high-frequency surface wave radar

NASA Astrophysics Data System (ADS)

Wang, Zhongbao; Xie, Junhao; Ji, Zhenyuan; Quan, Taifan

2016-01-01

High-frequency surface wave radar (HFSWR) is a useful technology for remote sensing of surface currents. It usually requires two (or more) stations spaced apart to create a two-dimensional (2D) current vector field. However, this method can only obtain the measurements within the overlapping coverage, which wastes most of the data from only one radar observation. Furthermore, it increases observation's costs significantly. To reduce the number of required radars and increase the ocean area that can be measured, this paper proposes an economical methodology for remote sensing of the 2D surface current vector field using single shipborne HFSWR. The methodology contains two parts: (1) a real space-time multiple signal classification (MUSIC) based on sparse representation and unitary transformation techniques is developed for measuring the radial currents from the spreading first-order spectra, and (2) the stream function method is introduced to obtain the 2D surface current vector field. Some important conclusions are drawn, and simulations are included to validate the correctness of them.

Systematic review of the incremental costs of interventions that increase immunization coverage.

PubMed

Ozawa, Sachiko; Yemeke, Tatenda T; Thompson, Kimberly M

2018-05-10

Achieving and maintaining high vaccination coverage requires investments, but the costs and effectiveness of interventions to increase coverage remain poorly characterized. We conducted a systematic review of the literature to identify peer-reviewed studies published in English that reported interventions aimed at increasing immunization coverage and the associated costs and effectiveness of the interventions. We found limited information in the literature, with many studies reporting effectiveness estimates, but not providing cost information. Using the available data, we developed a cost function to support future programmatic decisions about investments in interventions to increase immunization coverage for relatively low and high-income countries. The cost function estimates the non-vaccine cost per dose of interventions to increase absolute immunization coverage by one percent, through either campaigns or routine immunization. The cost per dose per percent increase in absolute coverage increased with higher baseline coverage, demonstrating increasing incremental costs required to reach higher coverage levels. Future studies should evaluate the performance of the cost function and add to the database of available evidence to better characterize heterogeneity in costs and generalizability of the cost function. Copyright © 2018. Published by Elsevier Ltd.

Enhanced radial growth of Mg doped GaN nanorods: A combined experimental and first-principles study

NASA Astrophysics Data System (ADS)

Nayak, Sanjay; Kumar, Rajendra; Pandey, Nidhi; Nagaraja, K. K.; Gupta, Mukul; Shivaprasad, S. M.

2018-04-01

We discuss the microstructural origin of enhanced radial growth in magnesium (Mg) doped single crystalline wurtzite gallium nitride (w-GaN) nanorods (NRs) grown by MBE, using electron microscopy and first-principles Density Functional Theory calculations. Experimentally, we observe that Mg incorporation increases the surface coverage of the grown samples as a consequence of an increase in the radial growth rate of the NRs. We also observe that the coalescence of NRs becomes prominent and the height at which coalescence between proximal rods occurs decreases with increase in Mg concentration. From first-principles calculations, we find that the surface free energy of the Mg doped surface reduces with increasing Mg concentration in the samples. The calculations further suggest a reduction in the adsorption energy and the diffusion barrier of Ga adatoms along [ 11 2 ¯ 0 ] on the side wall surface of the NRs as the underlying mechanism for the observed enhancement in the radial growth rate of GaN NRs. The physics and chemistry behind reduction of the adsorption energy of Ga ad-atoms on the doped surface are explained in the light of electronic structure of the relevant surfaces.

Increased salinization of fresh water in the northeastern United States

PubMed Central

Kaushal, Sujay S.; Groffman, Peter M.; Likens, Gene E.; Belt, Kenneth T.; Stack, William P.; Kelly, Victoria R.; Band, Lawrence E.; Fisher, Gary T.

2005-01-01

Chloride concentrations are increasing at a rate that threatens the availability of fresh water in the northeastern United States. Increases in roadways and deicer use are now salinizing fresh waters, degrading habitat for aquatic organisms, and impacting large supplies of drinking water for humans throughout the region. We observed chloride concentrations of up to 25% of the concentration of seawater in streams of Maryland, New York, and New Hampshire during winters, and chloride concentrations remaining up to 100 times greater than unimpacted forest streams during summers. Mean annual chloride concentration increased as a function of impervious surface and exceeded tolerance for freshwater life in suburban and urban watersheds. Our analysis shows that if salinity were to continue to increase at its present rate due to changes in impervious surface coverage and current management practices, many surface waters in the northeastern United States would not be potable for human consumption and would become toxic to freshwater life within the next century. PMID:16157871

Increased salinization of fresh water in the Northeastern United States

USGS Publications Warehouse

Kaushal, S.S.; Groffman, P.M.; Likens, G.E.; Belt, K.T.; Stack, W.P.; Kelly, V.R.; Band, L.E.; Fisher, G.T.

2005-01-01

Chloride concentrations are increasing at a rate that threatens the availability of fresh water in the northeastern United States. Increases in roadways and deicer use are now salinizing fresh waters, degrading habitat for aquatic organisms, and impacting large supplies of drinking water for humans throughout the region. We observed chloride concentrations of up to 25% of the concentration of seawater in streams of Maryland, New York, and New Hampshire during winters, and chloride concentrations remaining up to 100 times greater than unimpacted forest streams during summers. Mean annual chloride concentration increased as a function of impervious surface and exceeded tolerance for freshwater life in suburban and urban watersheds. Our analysis shows that if salinity were to continue to increase at its present rate due to changes in impervious surface coverage and current management practices, many surface waters in the northeastern United States would not be potable for human consumption and would become toxic to freshwater life within the next century. ?? 2005 by The National Academy of Sciences of the USA.

Distribution, characterization, and exposure of MC252 oil in the supratidal beach environment.

PubMed

Lemelle, Kendall R; Elango, Vijaikrishnah; Pardue, John H

2014-07-01

The distribution and characteristics of MC252 oil:sand aggregates, termed surface residue balls (SRBs), were measured on the supratidal beach environment of oil-impacted Fourchon Beach in Louisiana (USA). Probability distributions of 4 variables, surface coverage (%), size of SRBs (mm(2) of projected area), mass of SRBs per m(2) (g/m(2)), and concentrations of polycyclic aromatic hydrocarbons (PAHs) and n-alkanes in the SRBs (mg of crude oil component per kg of SRB) were determined using parametric and nonparametric statistical techniques. Surface coverage of SRBs, an operational remedial standard for the beach surface, was a gamma-distributed variable ranging from 0.01% to 8.1%. The SRB sizes had a mean of 90.7 mm(2) but fit no probability distribution, and a nonparametric ranking was used to describe the size distributions. Concentrations of total PAHs ranged from 2.5 mg/kg to 126 mg/kg of SRB. Individual PAH concentration distributions, consisting primarily of alkylated phenanthrenes, dibenzothiophenes, and chrysenes, did not consistently fit a parametric distribution. Surface coverage was correlated with an oil mass per unit area but with a substantial error at lower coverage (i.e., <2%). These data provide probabilistic risk assessors with the ability to specify uncertainty in PAH concentration, exposure frequency, and ingestion rate, based on SRB characteristics for the dominant oil form on beaches along the US Gulf Coast. © 2014 SETAC.

Excitability in the H{sub 2}+O{sub 2} reaction on a Rh(110) surface induced by high coverages of coadsorbed potassium

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

Rafti, Matías; Imbihl, Ronald, E-mail: imbihl@pci.uni-hannover.de

2014-12-07

By means of photoemission electron microscopy as spatially resolving method, the effect of high coverages of coadsorbed potassium (0.16 ≤ θ{sub K} ≤ 0.21) on the dynamical behavior of the H{sub 2} + O{sub 2} reaction over a Rh(110) surface was investigated. We observe that the originally bistable system is transformed into an excitable system as evidenced by the formation of target patterns and spiral waves. At K coverages close to saturation (θ{sub K} ≈ 0.21) mass transport of potassium with pulses is seen.

Hindered rotation and nuclear spin isomers separation of molecularly chemisorbed H2 on Pd(210)

NASA Astrophysics Data System (ADS)

Arguelles, Elvis F.; Kasai, Hideaki

2018-03-01

We investigated the hindered rotation and nuclear spin isomer separation of H2 on Pd(210) for various pre-adsorbed atomic hydrogen coverages (Θ), by total energy calculations based on density functional theory. Our results revealed that H2 is in the molecularly chemisorbed state and the adsorption is characterized by a highly anisotropic potential energy surface. Further, we found that J = 1 degenerate level splitting is insensitive to the increase in Θ from 1 to 2 ML. This is due to the comparable potential strengths hindering/restricting the polar rotations in both coverages. On a fully H passivated (3 ML) Pd(210), H2 is in a weakly physisorbed state with a negligible potential anisotropy. Our findings suggest that the activation barrier for polar rotational motion does not strongly depend on the adsorption energy but rather on the surface-molecule bond. The estimated rotational state desorption energies show a separation of ortho and para isomers by around 7.0 meV.

Antarctic surface elevation and slope from multi-mission lidar mapping

NASA Astrophysics Data System (ADS)

Sutterley, T. C.; Velicogna, I.; Neumann, T.; Markus, T.

2017-12-01

We present integrated estimates of surface elevation change and slope for the Antarctic Ice Sheet from a combination of measurements from the Airborne Topographic Mapper (ATM), the Land, Vegetation and Ice Sensor (LVIS) and the Ice Cloud and land Elevation Satellite (ICESat-1). This technique is a data-driven approach that calculates elevation differentials on a shot-by-shot basis. Our method extends the records of each instrument, increases the overall spatial coverage compared to a single instrument and produces high-quality, integrated maps of surface elevation, surface elevation change and slope. We use our estimates of elevation change to assess the current state of major outlet glaciers in the Bellinghausen Sea, Amundsen Sea and Getz regions of West Antarctica (WAIS). In the Amundsen Sea, we find that thinning rates of Pine Island Glacier have decreased after 2011 while thinning rates of Smith and Kohler glaciers have increased unabated.

Influenza vaccination coverage among US children from 2004/2005 to 2015/2016.

PubMed

Tian, Changwei; Wang, Hua; Wang, Wenming; Luo, Xiaoming

2018-05-15

Quantify the influenza vaccine coverage is essential to identify emerging concerns and to immunization programs for targeting interventions. Data from National Health Interview Survey were used to estimate receipt of at least one dose of influenza vaccination among children 6 months to 17 years of age. Influenza vaccination coverage increased from 16.70% during 2004/2005 to 49.43% during 2015/2016 (3.18% per year, P < 0.001); however, the coverage increased slightly after 2010/2011. Children at high risk of influenza complications had higher influenza vaccination coverage than non at-risk children. Boys and girls had similar coverage each year. While the coverage increased from 2004/2005 to 2015/2016 for all age groups, the coverage decreased with age each year (-0.64 to -1.58% per age group). There was a higher and rapid increase of coverage in Northeast than Midwest, South and West. American Indian or Alaskan Native and Asian showed higher coverage than other race groups (White, Black/African American, Multiple race). Multivariable analysis showed that high-risk status and region had the greatest associations with levels of vaccine coverage. Although the influenza vaccination coverage among children had increased remarkably since 2004/2005, establishing more effective immunization programs are warranted to achieve the Healthy People 2020 target.

DNA surface hybridization regimes

PubMed Central

Gong, Ping; Levicky, Rastislav

2008-01-01

Surface hybridization reactions, in which sequence-specific recognition occurs between immobilized and solution nucleic acids, are routinely carried out to quantify and interpret genomic information. Although hybridization is fairly well understood in bulk solution, the greater complexity of an interfacial environment presents new challenges to a fundamental understanding, and hence application, of these assays. At a surface, molecular interactions are amplified by the two-dimensional nature of the immobilized layer, which focuses the nucleic acid charge and concentration to levels not encountered in solution, and which impacts the hybridization behavior in unique ways. This study finds that, at low ionic strengths, an electrostatic balance between the concentration of immobilized oligonucleotide charge and solution ionic strength governs the onset of hybridization. As ionic strength increases, the importance of electrostatics diminishes and the hybridization behavior becomes more complex. Suppression of hybridization affinity constants relative to solution values, and their weakened dependence on the concentration of DNA counterions, indicate that the immobilized strands form complexes that compete with hybridization to analyte strands. Moreover, an unusual regime is observed in which the surface coverage of immobilized oligonucleotides does not significantly influence the hybridization behavior, despite physical closeness and hence compulsory interactions between sites. These results are interpreted and summarized in a diagram of hybridization regimes that maps specific behaviors to experimental ranges of ionic strength and probe coverage. PMID:18381819

Rotational electrical impedance tomography using electrodes with limited surface coverage provides window for multimodal sensing

NASA Astrophysics Data System (ADS)

Lehti-Polojärvi, Mari; Koskela, Olli; Seppänen, Aku; Figueiras, Edite; Hyttinen, Jari

2018-02-01

Electrical impedance tomography (EIT) is an imaging method that could become a valuable tool in multimodal applications. One challenge in simultaneous multimodal imaging is that typically the EIT electrodes cover a large portion of the object surface. This paper investigates the feasibility of rotational EIT (rEIT) in applications where electrodes cover only a limited angle of the surface of the object. In the studied rEIT, the object is rotated a full 360° during a set of measurements to increase the information content of the data. We call this approach limited angle full revolution rEIT (LAFR-rEIT). We test LAFR-rEIT setups in two-dimensional geometries with computational and experimental data. We use up to 256 rotational measurement positions, which requires a new way to solve the forward and inverse problem of rEIT. For this, we provide a modification, available for EIDORS, in the supplementary material. The computational results demonstrate that LAFR-rEIT with eight electrodes produce the same image quality as conventional 16-electrode rEIT, when data from an adequate number of rotational measurement positions are used. Both computational and experimental results indicate that the novel LAFR-rEIT provides good EIT with setups with limited surface coverage and a small number of electrodes.

[Spatio-temporal analysis of the biophysical and ecological conditions of Triatoma dimidiata (Hemiptera: Reduviidae: Triatominae) in the northeast region of Colombia].

PubMed

Badel-Mogollón, Jaime; Rodríguez-Figueroa, Laura; Parra-Henao, Gabriel

2017-03-29

Due to the lack of information regarding biophysical and spatio-temporal conditions (hydrometheorologic and vegetal coverage density) in areas with Triatoma dimidiata in the Colombian departments of Santander and Boyacá, there is a need to elucidate the association patterns of these variables to determine the distribution and control of this species. To make a spatio-temporal analysis of biophysical variables related to the distribution of T. dimidiate observed in the northeast region of Colombia. We used the Intergovernmental Panel on Climate Change Special Report on Emissions Scenarios (IPCC SRES) data bases registering vector presence and hydrometheorologic data. We studied the variables of environmental temperature, relative humidity, rainfall and vegetal coverage density at regional and local levels, and we conducted spatial geostatistic, descriptive statistical and Fourier temporal series analyses. Temperatures two meters above the ground and on covered surface ranged from 14,5°C to 18,8°C in the areas with the higher density of T. dimidiata. The environmental temperature fluctuated between 30 and 32°C. Vegetal coverage density and rainfall showed patterns of annual and biannual peaks. Relative humidity values fluctuated from 66,8 to 85,1%. Surface temperature and soil coverage were the variables that better explained the life cycle of T. dimidiata in the area. High relative humidity promoted the seek of shelters and an increase of the geographic distribution in the annual and biannual peaks of regional rainfall. The ecologic and anthropic conditions suggest that T. dimidiata is a highly resilient species.

Effects of Coating Materials and Processing Conditions on Flow Enhancement of Cohesive Acetaminophen Powders by High-Shear Processing With Pharmaceutical Lubricants.

PubMed

Wei, Guoguang; Mangal, Sharad; Denman, John; Gengenbach, Thomas; Lee Bonar, Kevin; Khan, Rubayat I; Qu, Li; Li, Tonglei; Zhou, Qi Tony

2017-10-01

This study has investigated the surface coating efficiency and powder flow improvement of a model cohesive acetaminophen powder by high-shear processing with pharmaceutical lubricants through 2 common equipment, conical comil and high-shear mixer. Effects of coating materials and processing parameters on powder flow and surface coating coverage were evaluated. Both Carr's index and shear cell data indicated that processing with the lubricants using comil or high-shear mixer substantially improved the flow of the cohesive acetaminophen powder. Flow improvement was most pronounced for those processed with 1% wt/wt magnesium stearate, from "cohesive" for the V-blended sample to "easy flowing" for the optimally coated sample. Qualitative and quantitative characterizations demonstrated a greater degree of surface coverage for high-shear mixing compared with comilling; nevertheless, flow properties of the samples at the corresponding optimized conditions were comparable between 2 techniques. Scanning electron microscopy images demonstrated different coating mechanisms with magnesium stearate or l-leucine (magnesium stearate forms a coating layer and leucine coating increases surface roughness). Furthermore, surface coating with hydrophobic magnesium stearate did not retard the dissolution kinetics of acetaminophen. Future studies are warranted to evaluate tableting behavior of such dry-coated pharmaceutical powders. Copyright © 2017 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Chemically modified electrodes by nucleophilic substitution of chlorosilylated platinum oxide surfaces

NASA Astrophysics Data System (ADS)

Chen, Chun-Hsien; Hutchison, James H.; Postlethwaite, Timothy A.; Richardson, John N.; Murray, R. W.

1994-07-01

Chlorosilylated platinum oxide electrode surfaces can be generated by reaction of SiCl4 vapor with an electrochemically prepared monolayer of platinum oxide. A variety of nucleophilic agents (such as alcohols, amines, thiols, and Grignard reagents) can be used to displace chloride and thereby functionalize the metal surface. Electroactive surfaces prepared with ferrocene methanol as the nucleophile show that derivatization by small molecules can achieve coverages on the order of a full monolayer. Surfaces modified with long-chain alkyl groups efficiently block electrode reactions of redox probes dissolved in the contacting solution, but other electrochemical (double layer capacitance and surface coverage) and contact angle measurements suggest that these molecule films are not highly ordered, self-assembled monolayers.

Surface Defect Passivation and Reaction of c-Si in H2S.

PubMed

Liu, Hsiang-Yu; Das, Ujjwal K; Birkmire, Robert W

2017-12-26

A unique passivation process of Si surface dangling bonds through reaction with hydrogen sulfide (H 2 S) is demonstrated in this paper. A high-level passivation quality with an effective minority carrier lifetime (τ eff ) of >2000 μs corresponding to a surface recombination velocity of <3 cm/s is achieved at a temperature range of 550-650 °C. X-ray photoelectron spectroscopy (XPS) confirmed the bonding states of Si and S and provides insights into the reaction pathway of Si with H 2 S and other impurity elements both during and after the reaction. Quantitative analysis of XPS spectra showed that the τ eff increases with an increase in the surface S content up to ∼3.5% and stabilizes thereafter, indicative of surface passivation by monolayer coverage of S on the Si surface. However, S passivation of the Si surface is highly unstable because of thermodynamically favorable reaction with atmospheric H 2 O and O 2 . This instability can be eliminated by capping the S-passivated Si surface with a protective thin film such as low-temperature-deposited amorphous silicon nitride.

Surface hydrogenation regulated wrinkling and torque capability of hydrogenated graphene annulus under circular shearing.

PubMed

Li, Yinfeng; Liu, Silin; Datta, Dibakar; Li, Zhonghua

2015-11-12

Wrinkles as intrinsic topological feature have been expected to affect the electrical and mechanical properties of atomically thin graphene. Molecular dynamics simulations are adopted to investigate the wrinkling characteristics in hydrogenated graphene annulus under circular shearing at the inner edge. The amplitude of wrinkles induced by in-plane rotation around the inner edge is sensitive to hydrogenation, and increases quadratically with hydrogen coverage. The effect of hydrogenation on mechanical properties is investigated by calculating the torque capability of annular graphene with varying hydrogen coverage and inner radius. Hydrogenation-enhanced wrinkles cause the aggregation of carbon atoms towards the inner edge and contribute to the critical torque strength of annulus. Based on detailed stress distribution contours, a shear-to-tension conversion mechanism is proposed for the contribution of wrinkles on torque capacity. As a result, the graphane annulus anomalously has similar torque capacity to pristine graphene annulus. The competition between hydrogenation caused bond strength deterioration and wrinkling induced local stress state conversion leads to a U-shaped evolution of torque strength relative to the increase of hydrogen coverage from 0 to 100%. Such hydrogenation tailored topological and mechanical characteristics provides an innovative mean to develop novel graphene-based devices.

Nonequilibrium Interlayer Transport in Pulsed Laser Deposition

NASA Astrophysics Data System (ADS)

Tischler, J. Z.; Eres, Gyula; Larson, B. C.; Rouleau, Christopher M.; Zschack, P.; Lowndes, Douglas H.

2006-06-01

We use time-resolved surface x-ray diffraction measurements with microsecond range resolution to study the growth kinetics of pulsed laser deposited SrTiO3. Time-dependent surface coverages corresponding to single laser shots were determined directly from crystal truncation rod intensity transients. Analysis of surface coverage evolution shows that extremely fast nonequilibrium interlayer transport, which occurs concurrently with the arrival of the laser plume, dominates the deposition process. A much smaller fraction of material, which is governed by the dwell time between successive laser shots, is transferred by slow, thermally driven interlayer transport processes.

Enhanced Arctic Mean Sea Surface and Mean Dynamic Topography including retracked CryoSat-2 Data

NASA Astrophysics Data System (ADS)

Andersen, O. B.; Jain, M.; Stenseng, L.; Knudsen, P.

2014-12-01

A reliable mean sea surface (MSS) is essential to derive a good mean dynamic topography (MDT) and for the estimation of short and long-term changes in the sea surface. The lack of satellite radar altimetry observations above 82 degrees latitude means that existing mean sea surface models have been unreliable in the Arctic Ocean. We here present the latest DTU mean sea surface and mean dynamic topography models combining conventional altimetry with retracked CryoSat-2 data to improve the reliability in the Arctic Ocean. For the derivation of a mean dynamic topography the ESA GOCE derived geoid model have been used to constrain the longer wavelength. We present the retracking of C2 SAR data using various retrackes and how we have been able to combine data from various retrackers under various sea ice conditions. DTU13MSS and DTU13MDT are the newest state of the art global high-resolution models including CryoSat-2 data to extend the satellite radar altimetry coverage up to 88 degrees latitude and through combination with a GOCE geoid model completes coverage all the way to the North Pole. Furthermore the SAR and SARin capability of CryoSat-2 dramatically increases the amount of useable sea surface returns in sea-ice covered areas compared to conventional radar altimeters like ENVISAT and ERS-1/2. With the inclusion of CryoSat-2 data the new mean sea surface is improved by more than 20 cm above 82 degrees latitude compared with the previous generation of mean sea surfaces.

Black carbon solar absorption suppresses turbulence in the atmospheric boundary layer.

PubMed

Wilcox, Eric M; Thomas, Rick M; Praveen, Puppala S; Pistone, Kristina; Bender, Frida A-M; Ramanathan, Veerabhadran

2016-10-18

The introduction of cloud condensation nuclei and radiative heating by sunlight-absorbing aerosols can modify the thickness and coverage of low clouds, yielding significant radiative forcing of climate. The magnitude and sign of changes in cloud coverage and depth in response to changing aerosols are impacted by turbulent dynamics of the cloudy atmosphere, but integrated measurements of aerosol solar absorption and turbulent fluxes have not been reported thus far. Here we report such integrated measurements made from unmanned aerial vehicles (UAVs) during the CARDEX (Cloud Aerosol Radiative Forcing and Dynamics Experiment) investigation conducted over the northern Indian Ocean. The UAV and surface data reveal a reduction in turbulent kinetic energy in the surface mixed layer at the base of the atmosphere concurrent with an increase in absorbing black carbon aerosols. Polluted conditions coincide with a warmer and shallower surface mixed layer because of aerosol radiative heating and reduced turbulence. The polluted surface mixed layer was also observed to be more humid with higher relative humidity. Greater humidity enhances cloud development, as evidenced by polluted clouds that penetrate higher above the top of the surface mixed layer. Reduced entrainment of dry air into the surface layer from above the inversion capping the surface mixed layer, due to weaker turbulence, may contribute to higher relative humidity in the surface layer during polluted conditions. Measurements of turbulence are important for studies of aerosol effects on clouds. Moreover, reduced turbulence can exacerbate both the human health impacts of high concentrations of fine particles and conditions favorable for low-visibility fog events.

Black carbon solar absorption suppresses turbulence in the atmospheric boundary layer

PubMed Central

Wilcox, Eric M.; Thomas, Rick M.; Praveen, Puppala S.; Pistone, Kristina; Bender, Frida A.-M.; Ramanathan, Veerabhadran

2016-01-01

The introduction of cloud condensation nuclei and radiative heating by sunlight-absorbing aerosols can modify the thickness and coverage of low clouds, yielding significant radiative forcing of climate. The magnitude and sign of changes in cloud coverage and depth in response to changing aerosols are impacted by turbulent dynamics of the cloudy atmosphere, but integrated measurements of aerosol solar absorption and turbulent fluxes have not been reported thus far. Here we report such integrated measurements made from unmanned aerial vehicles (UAVs) during the CARDEX (Cloud Aerosol Radiative Forcing and Dynamics Experiment) investigation conducted over the northern Indian Ocean. The UAV and surface data reveal a reduction in turbulent kinetic energy in the surface mixed layer at the base of the atmosphere concurrent with an increase in absorbing black carbon aerosols. Polluted conditions coincide with a warmer and shallower surface mixed layer because of aerosol radiative heating and reduced turbulence. The polluted surface mixed layer was also observed to be more humid with higher relative humidity. Greater humidity enhances cloud development, as evidenced by polluted clouds that penetrate higher above the top of the surface mixed layer. Reduced entrainment of dry air into the surface layer from above the inversion capping the surface mixed layer, due to weaker turbulence, may contribute to higher relative humidity in the surface layer during polluted conditions. Measurements of turbulence are important for studies of aerosol effects on clouds. Moreover, reduced turbulence can exacerbate both the human health impacts of high concentrations of fine particles and conditions favorable for low-visibility fog events. PMID:27702889

Identifying low-coverage surface species on supported noble metal nanoparticle catalysts by DNP-NMR

DOE PAGES

Johnson, Robert L.; Perras, Frédéric A.; Kobayashi, Takeshi; ...

2015-11-20

DNP-NMR spectroscopy has been applied to enhance the signal for organic molecules adsorbed on γ-Al 2O 3-supported Pd nanoparticles. In addition, by offering >2500-fold time savings, the technique enabled the observation of 13C- 13C cross-peaks for low coverage species, which were assigned to products from oxidative degradation of methionine adsorbed on the nanoparticle surface.

Diffusion Influenced Adsorption Kinetics.

PubMed

Miura, Toshiaki; Seki, Kazuhiko

2015-08-27

When the kinetics of adsorption is influenced by the diffusive flow of solutes, the solute concentration at the surface is influenced by the surface coverage of solutes, which is given by the Langmuir-Hinshelwood adsorption equation. The diffusion equation with the boundary condition given by the Langmuir-Hinshelwood adsorption equation leads to the nonlinear integro-differential equation for the surface coverage. In this paper, we solved the nonlinear integro-differential equation using the Grünwald-Letnikov formula developed to solve fractional kinetics. Guided by the numerical results, analytical expressions for the upper and lower bounds of the exact numerical results were obtained. The upper and lower bounds were close to the exact numerical results in the diffusion- and reaction-controlled limits, respectively. We examined the validity of the two simple analytical expressions obtained in the diffusion-controlled limit. The results were generalized to include the effect of dispersive diffusion. We also investigated the effect of molecular rearrangement of anisotropic molecules on surface coverage.

Adsorption of dextrin on hydrophobic minerals.

PubMed

Beaussart, Audrey; Mierczynska-Vasilev, Agnieszka; Beattie, David A

2009-09-01

The adsorption of dextrin on talc, molybdenite, and graphite (three naturally hydrophobic minerals) has been compared. Adsorption isotherms and in situ tapping mode atomic force microscope (TMAFM) imaging have enabled polymer adsorbed amount and morphology of the adsorbed layer (area coverage and polymer domain size) to be determined and also the amount of hydration water in the structure of the adsorbed layer. The effect of the polymer on the mineral contact angles, measured by the captive bubble method on cleaved mineral surfaces, indicates clear correlations between the hydrophobicity reduction of the minerals, the adsorbed amount, and the surface coverage of the adsorbed polymer. Predictions of the flotation recovery of the treated mineral phases have been confirmed by performing batch flotation experiments. The influence of the polymer surface coverage on flotation recovery has highlighted the importance of this key parameter in the predictions of depressant efficiency. The roles of the initial hydrophobicity and the surface structure of the mineral basal plane in determining adsorption parameters and flotation response of the polymer-treated minerals are also discussed.

Electron solvation and localization at interfaces

NASA Astrophysics Data System (ADS)

Harris, Charles B.; Szymanski, Paul; Garrett-Roe, Sean; Miller, Andre D.; Gaffney, Kelly J.; Liu, Simon H.; Bezel, Ilya

2003-12-01

Two-photon photoemission of thiolate/Ag(111), nitrile/Ag(111), and alcohol/Ag(111) interfaces elucidates electron solvation and localization in two dimensions. For low coverages of thiolates on Ag(111), the occupied (HOMO) and unoccupied (LUMO) electronic states of the sulfer-silver bond are localized due to the lattice gas structure of the adsorbate. As the coverage saturates and the adsorbate-adsorbate nearest neighbor distance decreases, the HOMO and LUMO delocalize across many adsorbate molecules. Alcohol- and nitrile-covered Ag(111) surfaces solvate excess image potential state (IPS) electrons. In the case of alcohol-covered surfaces, this solvation is due to a shift in the local workfunction of the surface. For two-monolayer coverages of nitriles/Ag(111), localization accompanies solvation of the IPS. The size of the localized electron can be estimated by Fourier transformation of the wavefunction from momentum- to position-space. The IPS electron localizes to 15 +/- 4 angstroms full-width at half maximum in the plane of the surface, i.e., to a single lattice site.

McGET: A rapid image-based method to determine the morphological characteristics of gravels on the Gobi desert surface

NASA Astrophysics Data System (ADS)

Mu, Yue; Wang, Feng; Zheng, Bangyou; Guo, Wei; Feng, Yiming

2018-03-01

The relationship between morphological characteristics (e.g. gravel size, coverage, angularity and orientation) and local geomorphic features (e.g. slope gradient and aspect) of desert has been used to explore the evolution process of Gobi desert. Conventional quantification methods are time-consuming, inefficient and even prove impossible to determine the characteristics of large numbers of gravels. We propose a rapid image-based method to obtain the morphological characteristics of gravels on the Gobi desert surface, which is called the "morphological characteristics gained effectively technique" (McGET). The image of the Gobi desert surface was classified into gravel clusters and background by a machine-learning "classification and regression tree" (CART) algorithm. Then gravel clusters were segmented into individual gravel clasts by separating objects in images using a "watershed segmentation" algorithm. Thirdly, gravel coverage, diameter, aspect ratio and orientation were calculated based on the basic principles of 2D computer graphics. We validated this method with two independent datasets in which the gravel morphological characteristics were obtained from 2728 gravels measured in the field and 7422 gravels measured by manual digitization. Finally, we applied McGET to derive the spatial variation of gravel morphology on the Gobi desert along an alluvial-proluvial fan located in Hami, Xinjiang, China. The validated results show that the mean gravel diameter measured in the field agreed well with that calculated by McGET for large gravels (R2 = 0.89, P < 0.001). Compared to manual digitization, the McGET accuracies for gravel coverage, gravel diameter and aspect ratio were 97%, 83% and 96%, respectively. The orientation distributions calculated were consistent across two different methods. More importantly, McGET significantly shortens the time cost in obtaining gravel morphological characteristics in the field and laboratory. The spatial variation results show that the gravel coverage ranged from 88% to 65%, the gravel diameter was unimodally distributed and ranged from 19 mm to 13 mm. Most gravels were bladed or rod-like, with a mean aspect ratio of 1.57, and had no preferred orientation on the surveyed Gobi desert. From the center to the edge of the fan, gravel coverage decreased 2.2% per 100 m elevation decrease (R2 = 0.69, P < 0.001), mean gravel diameter decreased 0.5 mm per 100 m elevation decrease (R2 = 0.52, P < 0.001), and mean aspect ratio slightly increased 0.004 per 100 m elevation decrease (R2 = 0.26, P < 0.05). These results imply that surface washing was the main process on the investigated Gobi desert. This study demonstrates that the new method can quickly and accurately calculate the gravel coverage, diameter, aspect ratio and orientation from the images of Gobi desert.

Kinetics of surfactant-mediated epitaxy of III-V semiconductors

NASA Astrophysics Data System (ADS)

Grandjean, N.; Massies, J.

1996-05-01

Surfactant-mediated epitaxy (SME) of III-V semiconductors is studied in the case of the GaAs(001) growth using Te as surfactant. To account for the strong surface segregation of Te, a phenomenological exchange mechanism is used. This process explains the reduction of the surface diffusion length evidenced by scanning tunneling microscopy (STM). However, this kinetics effect is observed only for restricted growth conditions: the As surface coverage should be sufficient to allow the exchange process. STM results as well as Monte Carlo simulations clearly show that the group-V element surface coverage plays a key role in the kinetics of SME of III-V semiconductors.

Tuning surface grafting density of CeO2 nanocrystals with near- and supercritical solvent characteristics.

PubMed

Giroire, B; Slostowski, C; Marre, S; Aymonier, C; Aida, T; Hojo, D; Aoki, N; Takami, S; Adschiri, T

2016-01-21

In this work, the solvent effect on the synthesis of CeO2 nanocrystals synthesized in near- and supercritical alcohols is discussed. The materials prepared displayed a unique morphology of small nanocrystals (<10 nm) aggregated into larger nanospheres (∼100-200 nm). In such syntheses, alcohol molecules directly interact with the nanocrystal surface through alkoxide and carboxylate bondings. The grafting density was quantified from the weight loss measured using thermogravimetric analysis. A direct correlation between the grafting density and the alcohol chain length can be established. It was demonstrated that the shorter the alcohol chain length (i.e. methanol), the higher the surface coverage is. This trend is independent of the synthesis mode (batch or continuous). Additionally, an influence of the grafting density on the resulting nanocrystal size was established. It is suggested that the surface coverage has a high influence on the early stages of the nucleation and growth. Indeed, when high surface coverages are reached, all surface active sites are blocked, limiting the growth step and therefore leading to smaller particles. This effect was noticed with the materials prepared in the continuous mode where shorter reaction time was performed.

Surface speciation of phosphate on goethite as seen by InfraRed Surface Titrations (IRST)

NASA Astrophysics Data System (ADS)

Arroyave, Jeison Manuel; Puccia, Virginia; Zanini, Graciela P.; Avena, Marcelo J.

2018-06-01

Phosphate adsorption at the metal oxide-water interface has been intensely studied, and the system phosphate-goethite in aqueous media is normally used as a model system with abundant information regarding adsorption-desorption under very different conditions. In spite of this, there is still discussion on whether the main inner-sphere surface complexes that phosphate forms on goethite are monodentate or bidentate. A new spectroscopic technique, InfraRed Surface Titration (IRST), is presented here and used to systematically explore the surface speciation of phosphate on goethite in the pH range 4.5-9.5 at different surface coverages. IRST enabled to construct distribution curves of surface species and distribution curves of dissolved phosphate species. In combination with the CD-MUSIC surface complexation model it was possible to conclude that surface complexes are monodentate. Very accurate distribution curves were obtained, showing a crossing point at pH 5.5 at a surface coverage of 2.0 μmol m-2, with a mononuclear monoprotonated species predominating at pH > 5.5 and a mononuclear diprotonated species prevailing at pH < 5.5. On the contrary, at the low surface coverage of 0.7 μmol m-2 there is no crossing point, with the mononuclear monoprotonated species prevailing at all pH. IRST can become a powerful technique to investigate structure, properties and reactions of any IR-active surface complex at the solid-water interface.

Boosting surface charge-transfer doping efficiency and robustness of diamond with WO3 and ReO3

NASA Astrophysics Data System (ADS)

Tordjman, Moshe; Weinfeld, Kamira; Kalish, Rafi

2017-09-01

An advanced charge-transfer yield is demonstrated by employing single monolayers of transition-metal oxides—tungsten trioxide (WO3) and rhenium trioxide (ReO3)—deposited on the hydrogenated diamond surface, resulting in improved p-type sheet conductivity and thermal stability. Surface conductivities, as determined by Hall effect measurements as a function of temperature for WO3, yield a record sheet hole carrier concentration value of up to 2.52 × 1014 cm-2 at room temperature for only a few monolayers of coverage. Transfer doping with ReO3 exhibits a consistent narrow sheet carrier concentration value of around 3 × 1013 cm-2, exhibiting a thermal stability of up to 450 °C. This enhanced conductivity and temperature robustness exceed those reported for previously exposed surface electron acceptor materials used so far on a diamond surface. X-ray photoelectron spectroscopy measurements of the C1s core level shift as a function of WO3 and ReO3 layer thicknesses are used to determine the respective increase in surface band bending of the accumulation layers, leading to a different sub-surface two-dimensional hole gas formation efficiency in both cases. This substantial difference in charge-exchange efficiency is unexpected since both surface acceptors have very close work functions. Consequently, these results lead us to consider additional factors influencing the transfer doping mechanism. Transfer doping with WO3 reveals the highest yet reported transfer doping efficiency per minimal surface acceptor coverage. This improved surface conductivity performance and thermal stability will promote the realization of 2D diamond-based electronic devices facing process fabrication challenges.

Adsorbate-induced shifts of electronic surface states: Cs on the (100) faces of tungsten, molybdenum, and tantalum

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

Soukiassian, P.; Riwan, R.; Lecante, J.

1985-04-15

The adsorption of cesium on the (100) faces of W, Mo, and Ta for coverages between 0 and 1 monolayer is studied by angle-resolved ultraviolet photoemission spectroscopy with use of synchro- tron radiation, by electron-energy-loss spectroscopy, and by low-energy electron diffraction. With increasing cesiation, the W(100) surface state at Gamma-bar located 0.3 eV below the Fermi level is shifted by up to 1.0 eV to larger binding energies while remaining sharp and intense. A similar behavior is observed on Ta(100), whereas on Mo(100) the shift of 0.9 eV of this surface state is accompanied by a pronounced attenuation of itsmore » intensity. These experimental shifts are shown to be in excellent agreement with all-electron local-density-functional results obtained with the full-potential linearized augmented-plane-wave method for Cs monolayers on the W(100) and Mo(100) surfaces. Based on these ab initio results, the electronic origin of the shifts is understood by the formation of strongly polarized covalent bonds between the d-like surface states and the Cs 6s--derived valence states. It is argued that even at high Cs coverages, the main electron-energy-loss peaks, which are observed between 1 and 2 eV, could be interpreted as Cs 6s..-->..6p--like interband transitions rather than as surface-plasmon peaks.« less

Micro-technology for planetary exploration and education

NASA Technical Reports Server (NTRS)

Miller, David P.; Varsi, Giulio

1991-01-01

The use of combined miniaturization technology and distributed information systems in planetary exploration is discussed. Missions in which teams of microrovers collect samples from planetary surfaces are addressed, emphasizing the ability of rovers to provide coverage of large areas, reliability through redundancy, and participation of a large group of investigators. The latter could involve people from a variety of institutions, increasing the opportunity for wide education and the increased interest of society in general in space exploration. A three-phase program to develop the present approach is suggested.

CEOS visualization environment (COVE) tool for intercalibration of satellite instruments

USGS Publications Warehouse

Kessler, P.D.; Killough, B.D.; Gowda, S.; Williams, B.R.; Chander, G.; Qu, Min

2013-01-01

Increasingly, data from multiple instruments are used to gain a more complete understanding of land surface processes at a variety of scales. Intercalibration, comparison, and coordination of satellite instrument coverage areas is a critical effort of international and domestic space agencies and organizations. The Committee on Earth Observation Satellites Visualization Environment (COVE) is a suite of browser-based applications that leverage Google Earth to display past, present, and future satellite instrument coverage areas and coincident calibration opportunities. This forecasting and ground coverage analysis and visualization capability greatly benefits the remote sensing calibration community in preparation for multisatellite ground calibration campaigns or individual satellite calibration studies. COVE has been developed for use by a broad international community to improve the efficiency and efficacy of such calibration planning efforts, whether those efforts require past, present, or future predictions. This paper provides a brief overview of the COVE tool, its validation, accuracies, and limitations with emphasis on the applicability of this visualization tool for supporting ground field campaigns and intercalibration of satellite instruments.

CEOS Visualization Environment (COVE) Tool for Intercalibration of Satellite Instruments

NASA Technical Reports Server (NTRS)

Kessler, Paul D.; Killough, Brian D.; Gowda, Sanjay; Williams, Brian R.; Chander, Gyanesh; Qu, Min

2013-01-01

Increasingly, data from multiple instruments are used to gain a more complete understanding of land surface processes at a variety of scales. Intercalibration, comparison, and coordination of satellite instrument coverage areas is a critical effort of space agencies and of international and domestic organizations. The Committee on Earth Observation Satellites Visualization Environment (COVE) is a suite of browser-based applications that leverage Google Earth to display past, present, and future satellite instrument coverage areas and coincident calibration opportunities. This forecasting and ground coverage analysis and visualization capability greatly benefits the remote sensing calibration community in preparation for multisatellite ground calibration campaigns or individual satellite calibration studies. COVE has been developed for use by a broad international community to improve the efficiency and efficacy of such calibration efforts. This paper provides a brief overview of the COVE tool, its validation, accuracies and limitations with emphasis on the applicability of this visualization tool for supporting ground field campaigns and intercalibration of satellite instruments.

Boosting water oxidation layer-by-layer.

PubMed

Hidalgo-Acosta, Jonnathan C; Scanlon, Micheál D; Méndez, Manuel A; Amstutz, Véronique; Vrubel, Heron; Opallo, Marcin; Girault, Hubert H

2016-04-07

Electrocatalysis of water oxidation was achieved using fluorinated tin oxide (FTO) electrodes modified with layer-by-layer deposited films consisting of bilayers of negatively charged citrate-stabilized IrO2 NPs and positively charged poly(diallyldimethylammonium chloride) (PDDA) polymer. The IrO2 NP surface coverage can be fine-tuned by controlling the number of bilayers. The IrO2 NP films were amorphous, with the NPs therein being well-dispersed and retaining their as-synthesized shape and sizes. UV/vis spectroscopic and spectro-electrochemical studies confirmed that the total surface coverage and electrochemically addressable surface coverage of IrO2 NPs increased linearly with the number of bilayers up to 10 bilayers. The voltammetry of the modified electrode was that of hydrous iridium oxide films (HIROFs) with an observed super-Nernstian pH response of the Ir(III)/Ir(IV) and Ir(IV)-Ir(IV)/Ir(IV)-Ir(V) redox transitions and Nernstian shift of the oxygen evolution onset potential. The overpotential of the oxygen evolution reaction (OER) was essentially pH independent, varying only from 0.22 V to 0.28 V (at a current density of 0.1 mA cm(-2)), moving from acidic to alkaline conditions. Bulk electrolysis experiments revealed that the IrO2/PDDA films were stable and adherent under acidic and neutral conditions but degraded in alkaline solutions. Oxygen was evolved with Faradaic efficiencies approaching 100% under acidic (pH 1) and neutral (pH 7) conditions, and 88% in alkaline solutions (pH 13). This layer-by-layer approach forms the basis of future large-scale OER electrode development using ink-jet printing technology.

Formation of positively charged gold nanoparticle monolayers on silica sensors.

PubMed

Oćwieja, Magdalena; Maciejewska-Prończuk, Julia; Adamczyk, Zbigniew; Roman, Maciej

2017-09-01

Formation of positively charged gold nanoparticle monolayers on the Si/SiO 2 was studied under in situ conditions using quartz microbalance (QCM). The gold nanoparticles were synthesized in a chemical reduction method using sodium borohydride as reducing agent. Cysteamine hydrochloride was applied to generate a positive surface charge of nanoparticles. The micrographs obtained from transmission electron microscopy (TEM) revealed that the average size of nanoparticles was equal to 12±3nm. The stability of nanoparticle suspensions under controlled pH and ionic strength was determined by dynamic light scattering (DLS). The electrophoretic mobility measurements showed that the zeta potential of nanoparticles was positive, decreasing with ionic strength and pH from 56mV at pH 4.2 and I=10 -4 M to 22mV at pH 8.3 and I=3×10 -3 M. The surface enhanced Raman spectroscopy (SERS) confirmed chemisorption of cysteamine on nanoparticles and the contribution of amine moieties in the generation of nanoparticle charge. The influence of suspension concentration, ionic strength and flow rate on the kinetics of nanoparticle deposition on the sensors was quantitatively determined. It was confirmed that the deposition for the low coverage regime is governed by the bulk mass transfer that results in a linear increase of the coverage with time. The significant increase in the maximum coverage of gold monolayers with ionic strength was interpreted as due to the decreasing range of the electrostatic interactions among deposited particles. Moreover, the hydratation of formed monolayers, their structure and the stability were determined by the comparison of the QCM results with those obtained by AFM and SEM. The experimental data were adequately interpreted in terms of the extended random sequential adsorption (eRSA) model that considers the bulk and surface transfer steps in a rigorous way. The obtained results are useful for a facile fabrication of gold nanoparticle-based biosensors capable to bind target molecules via available amine moieties. Copyright © 2017 Elsevier Inc. All rights reserved.

Marangoni Effects of a Drop in an Extensional Flow: The Role of Surfactant Physical Chemistry

NASA Technical Reports Server (NTRS)

Stebe, Kathleen J.; Balasubramaniam, R. (Technical Monitor)

2002-01-01

While the changes in stresses caused by surfactant adsorption on non-deforming interfaces have been fairly well established, prior to this work, there were few studies addressing how surfactants alter stresses on strongly deforming interfaces. We chose the model problem of a drop in a uniaxial extensional flow to study these stress conditions To model surfactant effects at fluid interfaces, a proper description of the dependence of the surface tension on surface concentration, the surface equation of state, is required. We have adopted a surface equation of state that accounts for the maximum coverage limit; that is, because surfactants have a finite cross sectional area, there is an upper bound to the amount of surfactant that can adsorb in a monolayer. The surface tension reduces strongly only when this maximum coverage is approached. Since the Marangoni stresses go as the derivative of the surface equation of state times the surface concentration gradient, the non-linear equation of state determines both the effect of surfactants in the normal stress jump, (which is balanced by the product of the mean curvature of the interface times the surface tension), and the tangential stress jump, which is balanced by Marangoni stresses. First, the effects of surface coverage and intermolecular interactions among surfactants which drive aggregation of surfactants in the interface were studied. (see Pawar and Stebe, Physics of Fluids).

Direct observation of individual particle armored bubble interaction, stability, and coalescence dynamics.

PubMed

Tan, Sin-Ying; Ata, Seher; Wanless, Erica J

2013-07-18

The interactions between two individual particle-stabilized bubbles were investigated, in the absence of surfactant, using a combination of coalescence rig and high-speed video camera. This combination allows the visualization of bubble coalescence dynamics which provide information on bubble stability. Experimental data suggested that bubble stability is enhanced by both the adsorption of particles at the interface as indicated by the long induction time and the increase in damping coefficient at high surface coverage. The interaction between an armored bubble and a bare bubble (asymmetric interaction) can be destabilized through the addition of a small amount of salt, which suggested that electrostatic interactions play a significant role in bubble stability. Interestingly, the DLVO theory cannot be used to describe the bubble stability in the case of a symmetric interaction as coalescence was inhibited at 0.1 M KCl in both the absence and presence of particles at the interfaces. Furthermore, bubbles can also be destabilized by increasing the particle hydrophobicity. This behavior is due to thinner liquid films between bubbles and an increase in film drainage rate. The fraction of particles detached from the bubble surface after film rupture was found to be very similar within the range of solution ionic strength, surface coverage, and particle hydrophobicity studied. This lack of dependence implies that the kinetic energy generated by the coalescing bubbles is larger than the attachment energy of the particles and dominates the detachment process. This study illuminates the stability behavior of individual particle-stabilized bubbles and has potential impact on processes which involve their interaction.

Gold nanorod linking to control plasmonic properties in solution and polymer nanocomposites.

PubMed

Ferrier, Robert C; Lee, Hyun-Su; Hore, Michael J A; Caporizzo, Matthew; Eckmann, David M; Composto, Russell J

2014-02-25

A novel, solution-based method is presented to prepare bifunctional gold nanorods (B-NRs), assemble B-NRs end-to-end in various solvents, and disperse linked B-NRs in a polymer matrix. The B-NRs have poly(ethylene glycol) grafted along its long axis and cysteine adsorbed to its ends. By controlling cysteine coverage, bifunctional ligands or polymer can be end-grafted to the AuNRs. Here, two dithiol ligands (C6DT and C9DT) are used to link the B-NRs in organic solvents. With increasing incubation time, the nanorod chain length increases linearly as the longitudinal surface plasmon resonance shifts toward lower adsorption wavelengths (i.e., red shift). Analogous to step-growth polymerization, the polydispersity in chain length also increases. Upon adding poly(ethylene glycol) or poly(methyl methacrylate) to chloroform solution with linked B-NR, the nanorod chains are shown to retain end-to-end linking upon spin-casting into PEO or PMMA films. Using quartz crystal microbalance with dissipation (QCM-D), the mechanism of nanorod linking is investigated on planar gold surfaces. At submonolayer coverage of cysteine, C6DT molecules can insert between cysteines and reach an areal density of 3.4 molecules per nm(2). To mimic the linking of Au NRs, this planar surface is exposed to cysteine-coated Au nanoparticles, which graft at 7 NPs per μm(2). This solution-based method to prepare, assemble, and disperse Au nanorods is applicable to other nanorod systems (e.g., CdSe) and presents a new strategy to assemble anisotropic particles in organic solvents and polymer coatings.

Gold Nanorod Linking to Control Plasmonic Properties in Solution and Polymer Nanocomposites

PubMed Central

2015-01-01

A novel, solution-based method is presented to prepare bifunctional gold nanorods (B-NRs), assemble B-NRs end-to-end in various solvents, and disperse linked B-NRs in a polymer matrix. The B-NRs have poly(ethylene glycol) grafted along its long axis and cysteine adsorbed to its ends. By controlling cysteine coverage, bifunctional ligands or polymer can be end-grafted to the AuNRs. Here, two dithiol ligands (C6DT and C9DT) are used to link the B-NRs in organic solvents. With increasing incubation time, the nanorod chain length increases linearly as the longitudinal surface plasmon resonance shifts toward lower adsorption wavelengths (i.e., red shift). Analogous to step-growth polymerization, the polydispersity in chain length also increases. Upon adding poly(ethylene glycol) or poly(methyl methacrylate) to chloroform solution with linked B-NR, the nanorod chains are shown to retain end-to-end linking upon spin-casting into PEO or PMMA films. Using quartz crystal microbalance with dissipation (QCM-D), the mechanism of nanorod linking is investigated on planar gold surfaces. At submonolayer coverage of cysteine, C6DT molecules can insert between cysteines and reach an areal density of 3.4 molecules per nm2. To mimic the linking of Au NRs, this planar surface is exposed to cysteine-coated Au nanoparticles, which graft at 7 NPs per μm2. This solution-based method to prepare, assemble, and disperse Au nanorods is applicable to other nanorod systems (e.g., CdSe) and presents a new strategy to assemble anisotropic particles in organic solvents and polymer coatings. PMID:24483622

Shuttle imaging radar views the Earth from Challenger: The SIR-B experiment

NASA Technical Reports Server (NTRS)

Ford, J. P.; Cimino, J. B.; Holt, B.; Ruzek, M. R.

1986-01-01

In October 1984, SIR-B obtained digital image data of about 6.5 million km2 of the Earth's surface. The coverage is mostly of selected experimental test sites located between latitudes 60 deg north and 60 deg south. Programmed adjustments made to the look angle of the steerable radar antenna and to the flight attitude of the shuttle during the mission permitted collection of multiple-incidence-angle coverage or extended mapping coverage as required for the experiments. The SIR-B images included here are representative of the coverage obtained for scientific studies in geology, cartography, hydrology, vegetation cover, and oceanography. The relations between radar backscatter and incidence angle for discriminating various types of surfaces, and the use of multiple-incidence-angle SIR-B images for stereo measurement and viewing, are illustrated with examples. Interpretation of the images is facilitated by corresponding images or photographs obtained by different sensors or by sketch maps or diagrams.

Reactivity of chemisorbed oxygen atoms and their catalytic consequences during CH4-O2 catalysis on supported Pt clusters.

PubMed

Chin, Ya-Huei Cathy; Buda, Corneliu; Neurock, Matthew; Iglesia, Enrique

2011-10-12

Kinetic and isotopic data and density functional theory treatments provide evidence for the elementary steps and the active site requirements involved in the four distinct kinetic regimes observed during CH(4) oxidation reactions using O(2), H(2)O, or CO(2) as oxidants on Pt clusters. These four regimes exhibit distinct rate equations because of the involvement of different kinetically relevant steps, predominant adsorbed species, and rate and equilibrium constants for different elementary steps. Transitions among regimes occur as chemisorbed oxygen (O*) coverages change on Pt clusters. O* coverages are given, in turn, by a virtual O(2) pressure, which represents the pressure that would give the prevalent steady-state O* coverages if their adsorption-desorption equilibrium was maintained. The virtual O(2) pressure acts as a surrogate for oxygen chemical potentials at catalytic surfaces and reflects the kinetic coupling between C-H and O═O activation steps. O* coverages and virtual pressures depend on O(2) pressure when O(2) activation is equilibrated and on O(2)/CH(4) ratios when this step becomes irreversible as a result of fast scavenging of O* by CH(4)-derived intermediates. In three of these kinetic regimes, C-H bond activation is the sole kinetically relevant step, but occurs on different active sites, which evolve from oxygen-oxygen (O*-O*), to oxygen-oxygen vacancy (O*-*), and to vacancy-vacancy (*-*) site pairs as O* coverages decrease. On O*-saturated cluster surfaces, O*-O* site pairs activate C-H bonds in CH(4) via homolytic hydrogen abstraction steps that form CH(3) groups with significant radical character and weak interactions with the surface at the transition state. In this regime, rates depend linearly on CH(4) pressure but are independent of O(2) pressure. The observed normal CH(4)/CD(4) kinetic isotope effects are consistent with the kinetic-relevance of C-H bond activation; identical (16)O(2)-(18)O(2) isotopic exchange rates in the presence or absence of CH(4) show that O(2) activation steps are quasi-equilibrated during catalysis. Measured and DFT-derived C-H bond activation barriers are large, because of the weak stabilization of the CH(3) fragments at transition states, but are compensated by the high entropy of these radical-like species. Turnover rates in this regime decrease with increasing Pt dispersion, because low-coordination exposed Pt atoms on small clusters bind O* more strongly than those that reside at low-index facets on large clusters, thus making O* less effective in H-abstraction. As vacancies (*, also exposed Pt atoms) become available on O*-covered surfaces, O*-* site pairs activate C-H bonds via concerted oxidative addition and H-abstraction in transition states effectively stabilized by CH(3) interactions with the vacancies, which lead to much higher turnover rates than on O*-O* pairs. In this regime, O(2) activation becomes irreversible, because fast C-H bond activation steps scavenge O* as it forms. Thus, O* coverages are set by the prevalent O(2)/CH(4) ratios instead of the O(2) pressures. CH(4)/CD(4) kinetic isotope effects are much larger for turnovers mediated by O*-* than by O*-O* site pairs, because C-H (and C-D) activation steps are required to form the * sites involved in C-H bond activation. Turnover rates for CH(4)-O(2) reactions mediated by O*-* pairs decrease with increasing Pt dispersion, as in the case of O*-O* active structures, because stronger O* binding on small clusters leads not only to less reactive O* atoms, but also to lower vacancy concentrations at cluster surfaces. As O(2)/CH(4) ratios and O* coverages become smaller, O(2) activation on bare Pt clusters becomes the sole kinetically relevant step; turnover rates are proportional to O(2) pressures and independent of CH(4) pressure and no CH(4)/CD(4) kinetic isotope effects are observed. In this regime, turnover rates become nearly independent of Pt dispersion, because the O(2) activation step is essentially barrierless. In the absence of O(2), alternate weaker oxidants, such as H(2)O or CO(2), lead to a final kinetic regime in which C-H bond dissociation on *-* pairs at bare cluster surfaces limit CH(4) conversion rates. Rates become first-order in CH(4) and independent of coreactant and normal CH(4)/CD(4) kinetic isotope effects are observed. In this case, turnover rates increase with increasing dispersion, because low-coordination Pt atoms stabilize the C-H bond activation transition states more effectively via stronger binding to CH(3) and H fragments. These findings and their mechanistic interpretations are consistent with all rate and isotopic data and with theoretical estimates of activation barriers and of cluster size effects on transition states. They serve to demonstrate the essential role of the coverage and reactivity of chemisorbed oxygen in determining the type and effectiveness of surface structures in CH(4) oxidation reactions using O(2), H(2)O, or CO(2) as oxidants, as well as the diversity of rate dependencies, activation energies and entropies, and cluster size effects that prevail in these reactions. These results also show how theory and experiments can unravel complex surface chemistries on realistic catalysts under practical conditions and provide through the resulting mechanistic insights specific predictions for the effects of cluster size and surface coordination on turnover rates, the trends and magnitude of which depend sensitively on the nature of the predominant adsorbed intermediates and the kinetically relevant steps.

Shot-Peening Effect on High Cycling Fatigue of Al-Cu Alloy

NASA Astrophysics Data System (ADS)

Fouad, Yasser; Metwally, Mostafa El

2013-12-01

The present work was aimed at evaluating the effects of shot-peening on the high cycle fatigue performance of the age-hardening aircraft alloy Al 2024 at different almen intensities. Shot-peening to full coverage (100 pct) was performed using spherically conditioned cut wire (SCCW 14) with an average shot size of 0.36 mm and at almen intensities of 0.1, 0.2, and 0.3 mmA. After applying the various mechanical surface treatments, the changes in the surface and near-surface layer properties such as microhardness, residual stress-depth profiles, and surface roughness were determined. The microhardness, surface roughness, and the residual stresses increased proportionally with the almen intensity. Electropolitically polished conditions were used as reference in the mechanically surface treated specimens. A significant improvement was seen in the fatigue performance of the 0.1 mmA.

Surface morphology of platelet adhesion influenced by activators, inhibitors and shear stress

NASA Astrophysics Data System (ADS)

Watson, Melanie Groan

Platelet activation involves multiple events, one of which is the generation and release of nitric oxide (NO), a platelet aggregation inhibitor. Platelets simultaneously send and receive various agents that promote a positive and negative feedback control system during hemostasis. Although the purpose of platelet-derived NO is not fully understood, NO is known to inhibit platelet recruitment. NO's relatively large diffusion coefficient allows it to diffuse more rapidly than platelet agonists. It may thus be able to inhibit recruitment of platelets near the periphery of a growing thrombus before agonists have substantially accumulated in those regions. Results from two studies in our laboratory differed in the extent to which platelet-derived NO decreased platelet adhesion. Frilot studied the effect of L-arginine (L-A) and NG-Methyl-L-arginine acetate salt (L-NMMA) on platelet adhesion to collagen under static conditions in a Petri dish. Eshaq examined the percent coverage on collagen-coated and fibrinogen-coated microchannels under shear conditions with different levels of L-A and Adenosine Diphosphate (ADP). Frilot's results showed no effect of either L-A or L-NMMA on surface coverage, thrombus size or serotonin release, while Eshaq's results showed a decrease in surface coverage with increased levels of L-A. A possible explanation for these contrasting results is that platelet-derived NO may be more important under flow conditions than under static conditions. For this project, the effects of L-A. ADP and L-NMMA on platelet adhesion were studied at varying shear stresses on protein-coated glass slides. The surface exposed to platelet-rich-plasma in combination with each chemical solution was observed under AFM, FE-SEM and fluorescence microscopy. Quantitative and qualitative comparisons of images obtained with these techniques confirmed the presence of platelets on the protein coatings. AFM images of fibrinogen and collagen-coated slides presented characteristic differences. Adhered platelets were identified, particularly with the AFM. The effects of chemical additives were examined under the same microscopy techniques. The resulting fluorescent microscopy data suggests statistical differences between the percent surface coverage of different shear regions on the glass slides. No statistically significant change in surface coverage was found with the addition of ADP on fibrinogen-coated slides, but showed differences on collagen with all chemicals. However, in high shear regions. L-A produced a significant decrease in platelet adhesion and L-NMMA produced a statistically significant increase in platelet adhesion on fibrinogen and collagen-coated slides. The AFM images of the chemical additives provided no differences between one another except with ADP. The no shear and low shear conditions provided no variations between AFM images via visual confirmation and statistical significance. The only AFM image shear region differences were obtained from low to high shear regions and static to high shear regions comparisons. The objective of this project was to determine whether the static conditions used by Frilot and the dynamic conditions used by Eshaq could explain the different effects of L-A observed in those studies. In addition, the ability of the fluorescent imaging technique to quantify platelet adhesion was examined by comparison of fluorescent imaging to AFM and FE-SEM. The results of this study were consistent with both the lack of an effect of chemical additives under static conditions reported by Frilot and the reduction of platelet adhesion in response to L-A reported by Eshaq.

Application of low energy ion blocking for adsorption site determination of Na Atoms on a Cu(111) surface

NASA Astrophysics Data System (ADS)

Zhang, R.; Makarenko, B.; Bahrim, B.; Rabalais, J. W.

2010-07-01

Ion blocking in the low keV energy range is demonstrated to be a sensitive method for probing surface adsorption sites by means of the technique of time-of-flight scattering and recoiling spectroscopy (TOF-SARS). Adsorbed atoms can block the nearly isotropic backscattering of primary ions from surface atoms in the outmost layers of a crystal. The relative adsorption site position can be derived unambiguously by simple geometrical constructs between the adsorbed atom site and the surface atom sites. Classical ion trajectory simulations using the scattering and recoiling imaging code (SARIC) and molecular dynamics (MD) simulations provide the detailed ion trajectories. Herein we present a quantitative analysis of the blocking effects produced by sub-monolayer Na adsorbed on a Cu(111) surface at room temperature. The results show that the Na adsorption site preferences are different at different Na coverages. At a coverage θ = 0.25 monolayer, Na atoms preferentially populate the fcc threefold surface sites with a height of 2.7 ± 0.1 Å above the 1st layer Cu atoms. At a lower coverage of θ = 0.10 monolayer, there is no adsorption site preference for the Na atoms on the Cu(111) surface.

Molecular Engineering of Surfaces for Sensing and Detection

DTIC Science & Technology

2005-08-01

solution was flowed in both chambers at a concentration of 0.05 mg/mL. Biotinylated single- stranded oligonucleotides ( bDNA ) were immobilized on the layer...correspondence between surface-bound bDNA and conjugate, a theoretical minimum coverage of 1.18 × 1012 molecules/cm2 of bDNA is necessary to...immobilize a monolayer of antibody. Above this bDNA coverage a monolayer of immobilized antibody should be observed. These theoretical values are

Solvent effects on the adsorption and self-organization of Mn12 on Au(111).

PubMed

Pineider, Francesco; Mannini, Matteo; Sessoli, Roberta; Caneschi, Andrea; Barreca, Davide; Armelao, Lidia; Cornia, Andrea; Tondello, Eugenio; Gatteschi, Dante

2007-11-06

A sulfur-containing single molecule magnet, [Mn12O12(O2CC6H4SCH3)16(H2O)4], was assembled from solution on a Au(111) surface affording both submonolayer and monolayer coverages. The adsorbate morphology and the degree of coverage were inspected by scanning tunneling microscopy (STM), while X-ray photoelectron spectroscopy (XPS) allowed the determination of the chemical nature of the adsorbate on a qualitative and quantitative basis. The properties of the adsorbates were found to be strongly dependent on the solvent used to dissolve the magnetic complex. In particular, systems prepared from tetrahydrofuran solutions gave arrays of isolated and partially ordered clusters on the gold substrate, while samples prepared from dichloromethane exhibited a homogeneous monolayer coverage of the whole Au(111) surface. These findings are relevant to the optimization of magnetic addressing of single molecule magnets on surfaces.

Use of insecticide quantification kits to investigate the quality of spraying and decay rate of bendiocarb on different wall surfaces in Kagera region, Tanzania.

PubMed

Thawer, Narjis G; Ngondi, Jeremiah M; Mugalura, Frances E; Emmanuel, Isaac; Mwalimu, Charles D; Morou, Evangelia; Vontas, John; Protopopoff, Natacha; Rowland, Mark; Mutagahywa, Joshua; Lalji, Shabbir; Molteni, Fabrizio; Ramsan, Mahdi M; Willilo, Ritha; Wright, Alexandra; Kafuko, Jessica M; Ndong, Isaiah; Reithinger, Richard; Magesa, Stephen Masingili

2015-04-22

Bendiocarb was introduced for the first time for Indoor Residual Spraying (IRS) in Tanzania in 2012 as part of the interim national insecticide resistance management plan. This move followed reports of increasingly alarming levels of pyrethroid resistance across the country. This study used the insecticide quantification kit (IQK) to investigate the intra-operational IRS coverage and quality of spraying, and decay rate of bendiocarb on different wall surfaces in Kagera region. To assess intra-operational IRS coverage and quality of spraying, 104 houses were randomly selected out of 161,414 sprayed houses. A total of 509 samples (218 in Muleba and 291 in Karagwe) were obtained by scraping the insecticide samples from wall surfaces. To investigate decay rate, 66 houses (36 in Muleba and 30 in Karagwe) were selected and samples were collected monthly for a period of five months. Laboratory testing of insecticide concentration was done using IQK(TM) [Innovative Vector Control Consortium]. Of the 509 samples, 89.5% met the World Health Organization (WHO) recommended concentration (between 100-400 mg/m(2)) for IRS target dosage. The proportion of samples meeting WHO standards varied between Karagwe (84.3%) and Muleba (96.3%) (p < 0.001). Assessment of quality of spraying at house level revealed that Muleba (84.8%) had a significantly higher proportion of households that met the expected target dosage (100-400 mg/m(2)) compared to Karagwe (68.9%) (p < 0.001). The quality of spraying varied across different wall substrates in both districts. Evaluation of bendiocarb decay showed that the proportion of houses with recommended concentration declined from 96.9%, 93.5% and 76.2% at months one, two, and three post IRS, respectively (p-trend = 0.03). The rate of decay increased in the fourth and fifth month post spraying with only 55.9% and 26.3% houses meeting the WHO recommendations, respectively. IQK is an important tool for assessing IRS coverage and quality of spraying. The study found adequate coverage of IRS; however, residual life of bendiocarb was observed to be three months. Results suggest that in order to maintain the recommended concentrations with bendiocarb, a second spray cycle should be carried out after three months.

Deep Space Network and Lunar Network Communication Coverage of the Moon

NASA Technical Reports Server (NTRS)

Lee, Charles H.; Cheung, Kar-Ming

2006-01-01

In this article, we describe the communication coverage analysis for the lunar network and the Earth ground stations. The first part of this article focuses on the direct communication coverage of the Moon from the Earth's ground stations. In particular, we assess the coverage performance of the Moon based on the existing Deep Space Network (DSN) antennas and the complimentary coverage of other potential stations at Hartebeesthoek, South Africa and at Santiago, Chile. We also address the coverage sensitivity based on different DSN antenna scenarios and their capability to provide single and redundant coverage of the Moon. The second part of this article focuses on the framework of the constrained optimization scheme to seek a stable constellation six relay satellites in two planes that not only can provide continuous communication coverage to any users on the Moon surface, but can also deliver data throughput in a highly efficient manner.

Adsorption of methanol, ethanol and water on well-characterized PtSn surface alloys

NASA Astrophysics Data System (ADS)

Panja, Chameli; Saliba, Najat; Koel, Bruce E.

1998-01-01

Adsorption and desorption of methanol (CH 3OH), ethanol (C 2H 5OH) and water on Pt(111) and two, ordered, PtSn alloys has been studied primarily using temperature-programmed desorption (TPD) mass spectroscopy. The two alloys studied were the {p(2 × 2) Sn}/{Pt(111) } and (√3 × √3) R30° {Sn}/{Pt(111) } surface alloys prepared by vapor deposition of Sn on Pt(111), with θSn = 0.25 and 0.33, respectively. All three molecules are weakly bonded and reversibly adsorbed under UHV conditions on all three surfaces, molecularly desorbing during TPD without any decomposition. The two PtSn surface alloys were found to chemisorb both methanol and ethanol slightly more weakly than on the Pt(111) surface. The desorption activation energies measured by TPD, and hence the adsorption energies, of both methanol and ethanol progressively decrease as the surface concentration of Sn increases, compared with Pt(111). The decreased binding energy leads one to expect a lower reactivity for these alcohols on the two alloys. The sticking coefficients and the monolayer coverages of these alcohols on the two alloys were identical to that on Pt(111) at 100 K, independent of the amount of Sn present in the surface layer. Alloying Sn in Pt(111) also slightly weakens the adsorption energy of water. Water clusters are formed even at low coverages on all three surfaces, eventually forming a water bilayer prior to the formation of a condensed ice phase. These results are relevant to a molecular-level explanation for the reactivity of Sn-promoted Pt surfaces that have been used in the electro-oxidation of simple organic molecules.

Thermodynamic Control of Two-Dimensional Molecular Ionic Nanostructures on Metal Surfaces

DOE PAGES

Jeon, Seokmin; Doak, Peter W.; Sumpter, Bobby G.; ...

2016-07-26

Bulk molecular ionic solids exhibit fascinating electronic properties, including electron correlations, phase transitions and superconducting ground states. In contrast, few of these phenomena have so far been observed in low-dimensional molecular structures, including thin films, nanoparticles and molecular blends, not in the least because most of such structures have so far been composed of nearly closed-shell molecules. It is therefore desirable to develop low-dimensional molecular structures of ionic molecules toward fundamental studies and potential applications. Here we present detailed analysis of monolayer-thick structures of the canonical TTF-TCNQ (tetrathiafulvalene 7,7,8,8-tetracyanoquinodimethane) system grown on low-index gold and silver surfaces. The most distinctivemore » property of the epitaxial growth is the wide abundance of stable TTF/TCNQ ratios, in sharp contrast to the predominance of 1:1 ratio in the bulk. We propose the existence of the surface phase-diagram that controls the structures of TTF-TCNQ on the surfaces, and demonstrate phase-transitions that occur upon progressively increasing the density of TCNQ while keeping the surface coverage of TTF fixed. Based on direct observations, we propose the binding motif behind the stable phases and infer the dominant interactions that enable the existence of the rich spectrum of surface structures. Finally, we also show that the surface phase diagram will control the epitaxy beyond monolayer coverage. Multiplicity of stable surface structures, the corollary rich phase diagram and the corresponding phase-transitions present an interesting opportunity for low-dimensional molecular systems, particularly if some of the electronic properties of the bulk can be preserved or modified in the surface phases.« less

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

Wang, Guiling; Yu, Miao; Pal, Jeremy

This paper presents a regional climate system model RCM-CLM-CN-DV and its validation over Tropical Africa. The model development involves the initial coupling between the ICTP regional climate model RegCM4.3.4 (RCM) and the Community Land Model version 4 (CLM4) including models of carbon-nitrogen dynamics (CN) and vegetation dynamics (DV), and further improvements of the models. Model improvements derive from the new parameterization from CLM4.5 that addresses the well documented overestimation of gross primary production (GPP), a refinement of stress deciduous phenology scheme in CN that addresses a spurious LAI fluctuation for drought-deciduous plants, and the incorporation of a survival rule intomore » the DV model to prevent tropical broadleaf evergreens trees from growing in areas with a prolonged drought season. The impact of the modifications on model results is documented based on numerical experiments using various subcomponents of the model. The performance of the coupled model is then validated against observational data based on three configurations with increasing capacity: RCM-CLM with prescribed leaf area index and fractional coverage of different plant functional types (PFTs); RCM-CLM-CN with prescribed PFTs coverage but prognostic plant phenology; RCM-CLM-CN-DV in which both the plant phenology and PFTs coverage are simulated by the model. Results from these three models are compared against the FLUXNET up-scaled GPP and ET data, LAI and PFT coverages from remote sensing data including MODIS and GIMMS, University of Delaware precipitation and temperature data, and surface radiation data from MVIRI and SRB. Our results indicate that the models perform well in reproducing the physical climate and surface radiative budgets in the domain of interest. However, PFTs coverage is significantly underestimated by the model over arid and semi-arid regions of Tropical Africa, caused by an underestimation of LAI in these regions by the CN model that gets exacerbated through vegetation dynamics in RCM-CLM-CN-DV.« less

Full coverage of perovskite layer onto ZnO nanorods via a modified sequential two-step deposition method for efficiency enhancement in perovskite solar cells

NASA Astrophysics Data System (ADS)

Ruankham, Pipat; Wongratanaphisan, Duangmanee; Gardchareon, Atcharawon; Phadungdhitidhada, Surachet; Choopun, Supab; Sagawa, Takashi

2017-07-01

Full coverage of perovskite layer onto ZnO nanorod substrates with less pinholes is crucial for achieving high-efficiency perovskite solar cells. In this work, a two-step sequential deposition method is modified to achieve an appropriate property of perovskite (MAPbI3) film. Surface treatment of perovskite layer and its precursor have been systematically performed and their morphologies have been investigated. By pre-wetting of lead iodide (PbI2) and letting it dry before reacting with methylammonium iodide (MAI) provide better coverage of perovskite film onto ZnO nanorod substrate than one without any treatment. An additional MAI deposition followed with toluene drop-casting technique on the perovskite film is also found to increase the coverage and enhance the transformation of PbI2 to MAPbI3. These lead to longer charge carrier lifetime, resulting in an enhanced power conversion efficiency (PCE) from 1.21% to 3.05%. The modified method could been applied to a complex ZnO nanorods/TiO2 nanoparticles substrate. The enhancement in PCE to 3.41% is observed. These imply that our introduced method provides a simple way to obtain the full coverage and better transformation to MAPbI3 phase for enhancement in performances of perovskite solar cells.

Measurements of Polyatomic Molecule Formation on an Icy Grain Analog Using Fast Atoms

NASA Technical Reports Server (NTRS)

Chutjian, A.; Madsunkov, S.; Shortt, B. J.; MacAskill, J. A.; Darrach, M. R.

2006-01-01

Carbon dioxide has been produced from the impact of a monoenergetic O(P-3) beam upon a surface cooled to 4.8 K and covered with a CO ice. Using temperature-programmed desorption and mass spectrometer detection, we have detected increasing amounts of CO2 formation with O(P-3) energies of 2, 5, 10, and 14 eV. This is the first measurement of polyatomic molecule formation on a surface with superthermal atoms. The goal of this work is to detect other polyatomic species, such as CH3OH, which can be formed under conditions that simulate the grain temperature, surface coverage, and superthermal atoms present in shock-heated circumstellar and interstellar regions.

Epitaxial growth of Ag on W(110)

NASA Astrophysics Data System (ADS)

Deisl, C.; Bertel, E.; Bürgener, M.; Meister, G.; Goldmann, A.

2005-10-01

Epitaxial growth of Ag on W(110) at room temperature was studied by scanning tunneling microscopy (STM) and polarization-dependent photoemission. At coverages far below one monolayer Ag atoms populate bcc sites of the substrate and form close-packed islands of monolayer thickness. With increasing coverage geometrical misfit between Ag(111)-like layers and W(110) generates surface stress along W[11¯0] . This is released by formation of domain walls parallel W[001] which are observed with a distance between about 25Å and 30Å , depending on the details of the growth process. At one monolayer coverage most of the Ag atoms still reside in or very near to bcc substrate positions, but now the strain release pattern is changed: solitons aligned along W[1¯12] are formed at an average distance between 35Å and 50Å . The details of the soliton arrangement depend critically on the degree of equilibration and the presence of holes in the monolayer film which allow an additional stress release. This is evident from a comparison with results of STM studies performed at the closed and carefully annealed Ag monolayer [Kim , Phys. Rev. B 67, 223401 (2003)]. Further deposition of Ag starts growth of a second monolayer by formation of islands which increase in size with coverage. At a nominal coverage of 1.5 monolayers the strain relieve pattern changes again: some corrugation lines are oriented along W[001] as in the submonolayers, but other orientations related to Ag(111) directions appear as well. This indicates that several possibilities are available at similar energy costs and that the transition from the W substrate potential to a Ag potential seen by the second layer is very soft. Finally at a nominal coverage of several monolayers, Stranski-Krastanov growth is observed producing Ag(111)-like terraces with one of the dense-packed Ag rows oriented parallel to W[11¯1] .

Employee responses to health insurance premium increases.

PubMed

Goldman, Dana P; Leibowitz, Arleen A; Robalino, David A

2004-01-01

To determine the sensitivity of employees' health insurance decisions--including the decision to not choose health maintenance organization or fee-for-service coverage--during periods of rapidly escalating healthcare costs. A retrospective cohort study of employee plan choices at a single large firm with a "cafeteria-style" benefits plan wherein employees paid all the additional cost of purchasing more generous insurance. We modeled the probability that an employee would drop coverage or switch plans in response to employee premium increases using data from a single large US company with employees across 47 states during the 3-year period of 1989 through 1991, a time of large premium increases within and across plans. Premium increases induced substantial plan switching. Single employees were more likely to respond to premium increases by dropping coverage, whereas families tended to switch to another plan. Premium increases of 10% induced 7% of single employees to drop or severely cut back on coverage; 13% to switch to another plan; and 80% to remain in their existing plan. Similar figures for those with family coverage were 11%, 12%, and 77%, respectively. Simulation results that control for known covariates show similar increases. When faced with a dramatic increase in premiums--on the order of 20%--nearly one fifth of the single employees dropped coverage compared with 10% of those with family coverage. Employee coverage decisions are sensitive to rapidly increasing premiums, and single employees may be likely to drop coverage. This finding suggests that sustained premium increases could induce substantial increases in the number of uninsured individuals.

Structure and energetics of hydrogen-bonded networks of methanol on close packed transition metal surfaces

NASA Astrophysics Data System (ADS)

Murphy, Colin J.; Carrasco, Javier; Lawton, Timothy J.; Liriano, Melissa L.; Baber, Ashleigh E.; Lewis, Emily A.; Michaelides, Angelos; Sykes, E. Charles H.

2014-07-01

Methanol is a versatile chemical feedstock, fuel source, and energy storage material. Many reactions involving methanol are catalyzed by transition metal surfaces, on which hydrogen-bonded methanol overlayers form. As with water, the structure of these overlayers is expected to depend on a delicate balance of hydrogen bonding and adsorbate-substrate bonding. In contrast to water, however, relatively little is known about the structures methanol overlayers form and how these vary from one substrate to another. To address this issue, herein we analyze the hydrogen bonded networks that methanol forms as a function of coverage on three catalytically important surfaces, Au(111), Cu(111), and Pt(111), using a combination of scanning tunneling microscopy and density functional theory. We investigate the effect of intermolecular interactions, surface coverage, and adsorption energies on molecular assembly and compare the results to more widely studied water networks on the same surfaces. Two main factors are shown to direct the structure of methanol on the surfaces studied: the surface coverage and the competition between the methanol-methanol and methanol-surface interactions. Additionally, we report a new chiral form of buckled hexamer formed by surface bound methanol that maximizes the interactions between methanol monomers by sacrificing interactions with the surface. These results serve as a direct comparison of interaction strength, assembly, and chirality of methanol networks on Au(111), Cu(111), and Pt(111) which are catalytically relevant for methanol oxidation, steam reforming, and direct methanol fuel cells.

Electrochemical characterization of organosilane-functionalized nanostructured ITO surfaces

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

Pruna, R., E-mail: rpruna@el.ub.edu; Palacio, F.; López, M.

2016-08-08

The electroactivity of nanostructured indium tin oxide (ITO) has been investigated for its further use in applications such as sensing biological compounds by the analysis of redox active molecules. ITO films were fabricated by using electron beam evaporation at different substrate temperatures and subsequently annealed for promoting their crystallization. The morphology of the deposited material was monitored by scanning electron microscopy, confirming the deposition of either thin films or nanowires, depending on the substrate temperature. Electrochemical surface characterization revealed a 45 % increase in the electroactive surface area of nanostructured ITO with respect to thin films, one third lower than themore » geometrical surface area variation determined by atomic force microscopy. ITO surfaces were functionalized with a model organic molecule known as 6-(ferrocenyl)hexanethiol. The chemical attachment was done by means of a glycidoxy compound containing a reactive epoxy group, the so-called 3-glycidoxypropyltrimethoxy-silane. ITO functionalization was useful for determining the benefits of nanostructuration on the surface coverage of active molecules. Compared to ITO thin films, an increase in the total peak height of 140 % was observed for as-deposited nanostructured electrodes, whereas the same measurement for annealed electrodes resulted in an increase of more than 400 %. These preliminary results demonstrate the ability of nanostructured ITO to increase the surface-to-volume ratio, conductivity and surface area functionalization, features that highly benefit the performance of biosensors.« less

Factors predictive of increased influenza and pneumococcal vaccination coverage in long-term care facilities: the CMS-CDC standing orders program Project.

PubMed

Bardenheier, Barbara H; Shefer, Abigail; McKibben, Linda; Roberts, Henry; Rhew, David; Bratzler, Dale

2005-01-01

Between 1999 and 2002, a multistate demonstration project was conducted in long-term care facilities (LTCFs) to encourage implementation of standing orders programs (SOP) as evidence-based vaccine delivery strategies to increase influenza and pneumococcal vaccination coverage in LTCFs. Examine predictors of increase in influenza and pneumococcal vaccination coverage in LTCFs. Intervention study. Self-administered surveys of LTCFs merged with data from OSCAR (On-line Survey Certification and Reporting System) and immunization coverage was abstracted from residents' medical charts in LTCFs. Twenty LTCFs were sampled from 9 intervention and 5 control states in the 2000 to 2001 influenza season for baseline and during the 2001 to 2002 influenza season for postintervention. Each state's quality improvement organization (QIO) promoted the use of standing orders for immunizations as well as other strategies to increase immunization coverage among LTCF residents. Multivariate analysis included Poisson regression to determine independent predictors of at least a 10 percentage-point increase in facility influenza and pneumococcal vaccination coverage. Forty-two (20%) and 59 (28%) of the facilities had at least a 10 percentage-point increase in influenza and pneumococcal immunizations, respectively. In the multivariate analysis, predictors associated with increase in influenza vaccination coverage included adoption of requirement in written immunization protocol to document refusals, less-demanding consent requirements, lower baseline influenza coverage, and small facility size. Factors associated with increase in pneumococcal vaccination coverage included adoption of recording pneumococcal immunizations in a consistent place, affiliation with a multifacility chain, and provision of resource materials. To improve the health of LTCF residents, strategies should be considered that increase immunization coverage, including written protocol for immunizations and documentation of refusals, documenting vaccination status in a consistent place in medical records, and minimal consent requirements for vaccinations.

CO adsorption on the “29” Cu xO/Cu(111) surface: An integrated DFT, STM, and TPD study

DOE PAGES

Hensley, Alyssa J. R.; Therrien, Andrew J.; Zhang, Renqin; ...

2016-10-04

The elucidation of an accurate atomistic model of surface structures is crucial for the design and understanding of effective catalysts, a process requiring a close collaboration between experimental observations and theoretical models. Any developed surface theoretical model must agree with experimental results for the surface when both clean and adsorbate covered. Here, we present a detailed study of the adsorption of CO on the “29” Cu xO/ Cu(111) surface, which is important in the understanding of ubiquitous Cubased catalysis. This study uses scanning tunneling microscopy, temperatureprogrammed desorption, and density functional theory to analyze CO adsorption on the “29” Cu xO/Cu(111)more » surface. From the experimental scanning tunneling microscopy images, CO was found to form six different ordered structures on the “29” Cu xO/Cu(111) surface depending on the surface CO coverage. By modeling the adsorption of CO on our atomistic model of the “29” Cu xO/Cu(111) surface at different coverages, we were able to match the experimentally observed CO ordered structures to specific combinations of sites on the “29” Cu xO/Cu(111) surface. Lastly, the high degree of agreement seen here between experiment and theory for the adsorption of CO on the “29” Cu xO/Cu(111) surface at various CO coverages provides further support that our atomistic model of the “29” Cu xO/Cu(111) surface is experimentally accurate.« less

The Effect of Environmental Conditions on Tropical Deep Convective Systems Observed from the TRMM Satellite

NASA Technical Reports Server (NTRS)

Lin, Bing; Wielicki, Bruce A.; Minnis, Patrick; Chambers, Lin H.; Xu, Kuan-Man; Hu, Yongxiang; Fan, Tai-Fang

2005-01-01

This study uses measurements of radiation and cloud properties taken between January and August 1998 by three Tropical Rainfall Measuring Mission (TRMM) instruments, the Clouds and the Earth's Radiant Energy System (CERES) scanner, the TRMM Microwave Imager (TMI), and the Visible and InfraRed Scanner (VIRS), to evaluate the variations of tropical deep convective systems (DCS) with sea surface temperature (SST) and precipitation. This study finds that DCS precipitation efficiency increases with SST at a rate of approx. 2%/K. Despite increasing rainfall efficiency, the cloud areal coverage rises with SST at a rate of about 7%/K in the warm tropical seas. There, the boundary layer moisture supply for deep convection and the moisture transported to the upper troposphere for cirrus-anvil cloud formation increase by approx. 6.3%/K and approx. 4.0%/K, respectively. The changes in cloud formation efficiency, along with the increased transport of moisture available for cloud formation, likely contribute to the large rate of increasing DCS areal coverage. Although no direct observations are available, the increase of cloud formation efficiency with rising SST is deduced indirectly from measurements of changes in the ratio of DCS ice water path and boundary layer water vapor amount with SST. Besides the cloud areal coverage, DCS cluster effective sizes also increase with precipitation. Furthermore, other cloud properties, such as cloud total water and ice water paths, increase with SST. These changes in DCS properties will produce a negative radiative feedback for the earth's climate system due to strong reflection of shortwave radiation by the DCS. These results significantly differ from some previous hypothesized dehydration scenarios for warmer climates, and have great potential in testing current cloud-system resolving models and convective parameterizations of general circulation models.

Affordable Care Act Impact on Medicaid Coverage of Smoking-Cessation Treatments.

PubMed

McMenamin, Sara B; Yoeun, Sara W; Halpin, Helen A

2018-04-01

Four sections of the Affordable Care Act address the expansion of Medicaid coverage for recommended smoking-cessation treatments for: (1) pregnant women (Section 4107), (2) all enrollees through a financial incentive (1% Federal Medical Assistance Percentage increase) to offer comprehensive coverage (Section 4106), (3) all enrollees through Medicaid formulary requirements (Section 2502), and (4) Medicaid expansion enrollees (Section 2001). The purpose of this study is to document changes in Medicaid coverage for smoking-cessation treatments since the passage of the Affordable Care Act and to assess how implementation has differentially affected Medicaid coverage policies for: pregnant women, enrollees in traditional Medicaid, and Medicaid expansion enrollees. From January through June 2017, data were collected and analyzed from 51 Medicaid programs (50 states plus the District of Columbia) through a web-based survey and review of benefits documents to assess coverage policies for smoking-cessation treatments. Forty-seven Medicaid programs have increased coverage for smoking-cessation treatments post-implementation of the Affordable Care Act by adopting one or more of the four smoking-cessation treatment provisions. Coverage for pregnant women increased in 37 states, coverage for newly eligible expansion enrollees increased in 32 states, and 15 states added coverage and/or removed copayments in order to apply for a 1% increase in the Federal Medical Assistance Percentage. Coverage for all recommended pharmacotherapy and group and individual counseling increased from seven states in 2009 to 28 states in 2017. The Affordable Care Act was successful in improving and expanding state Medicaid coverage of effective smoking-cessation treatments. Many programs are not fully compliant with the law, and additional guidance and clarification from the Centers for Medicare and Medicaid Services may be needed. Copyright © 2018 American Journal of Preventive Medicine. Published by Elsevier Inc. All rights reserved.

Radiographic Underestimation of In Vivo Cup Coverage Provided by Total Hip Arthroplasty for Dysplasia.

PubMed

Nie, Yong; Wang, HaoYang; Huang, ZeYu; Shen, Bin; Kraus, Virginia Byers; Zhou, Zongke

2018-01-01

The accuracy of using 2-dimensional anteroposterior pelvic radiography to assess acetabular cup coverage among patients with developmental dysplasia of the hip after total hip arthroplasty (THA) remains unclear in retrospective clinical studies. A group of 20 patients with developmental dysplasia of the hip (20 hips) underwent cementless THA. During surgery but after acetabular reconstruction, bone wax was pressed onto the uncovered surface of the acetabular cup. A surface model of the bone wax was generated with 3-dimensional scanning. The percentage of the acetabular cup that was covered by intact host acetabular bone in vivo was calculated with modeling software. Acetabular cup coverage also was determined from a postoperative supine anteroposterior pelvic radiograph. The height of the hip center (distance from the center of the femoral head perpendicular to the inter-teardrop line) also was determined from radiographs. Radiographic cup coverage was a mean of 6.93% (SD, 2.47%) lower than in vivo cup coverage for these 20 patients with developmental dysplasia of the hip (P<.001). However, both methods yielded highly correlated measurements for cup coverage (Pearson r=0.761, P<.001). The size of the acetabular cup (P=.001) but not the position of the hip center (high vs normal) was significantly associated with the difference between radiographic and in vivo cup coverage. Two-dimensional radiographically determined cup coverage conservatively reflects in vivo cup coverage and remains an important index (taking 7% underestimation errors and the effect of greater underestimation of larger cup size into account) for assessing the stability of the cup and monitoring for adequate ingrowth of bone. [Orthopedics. 2018; 41(1):e46-e51.]. Copyright 2017, SLACK Incorporated.

Insurance premiums and insurance coverage of near-poor children.

PubMed

Hadley, Jack; Reschovsky, James D; Cunningham, Peter; Kenney, Genevieve; Dubay, Lisa

States increasingly are using premiums for near-poor children in their public insurance programs (Medicaid/SCHIP) to limit private insurance crowd-out and constrain program costs. Using national data from four rounds of the Community Tracking Study Household Surveys spanning the seven years from 1996 to 2003, this study estimates a multinomial logistic regression model examining how public and private insurance premiums affect insurance coverage outcomes (Medicaid/SCHIP coverage, private coverage, and no coverage). Higher public premiums are significantly associated with a lower probability of public coverage and higher probabilities of private coverage and uninsurance; higher private premiums are significantly related to a lower probability of private coverage and higher probabilities of public coverage and uninsurance. The results imply that uninsurance rates will rise if both public and private premiums increase, and suggest that states that impose or increase public insurance premiums for near-poor children will succeed in discouraging crowd-out of private insurance, but at the expense of higher rates of uninsurance. Sustained increases in private insurance premiums will continue to create enrollment pressures on state insurance programs for children.

Elasticity of the hair cover in air-retaining Salvinia surfaces

NASA Astrophysics Data System (ADS)

Ditsche, Petra; Gorb, Elena; Mayser, Matthias; Gorb, Stanislav; Schimmel, Thomas; Barthlott, Wilhelm

2015-11-01

Immersed in water superhydrophobic surfaces (e.g., lotus) maintain thin temporary air films. In certain aquatic plants and animals, these films are thicker and more persistent. Floating ferns of the genus Salvinia show elaborated hierarchical superhydrophobic surface structures: a hairy cover of complex trichomes. In the case of S. molesta, they are eggbeater shaped and topped by hydrophilic tips, which pin the air-water interface and prevent rupture of contact. It has been proposed that these trichomes can oscillate with the air-water interface, when turbulences occur and thereby stabilize the air film. The deformability of such arrays of trichomes requires a certain elasticity of the structures. In this study, we determined the stiffness of the trichome coverage of S. molesta and three other Salvinia species. Our results confirm the elasticity of the trichome coverage in all investigated Salvinia species. We did not reveal a clear relationship between the time of air retention and stiffness of the trichome coverage, which means that the air retention function is additionally dependent on different parameters, e.g., the trichome shape and surface free energy. These data are not only interesting for Salvinia biology, but also important for the development of biomimetic air-retaining surfaces.

Methanethiol chemistry on TiO 2-supported Ni clusters

NASA Astrophysics Data System (ADS)

Ozturk, O.; Park, J. B.; Black, T. J.; Rodriguez, J. A.; Hrbek, J.; Chen, D. A.

2008-10-01

The thermal decomposition of methanethiol on Ni clusters grown on TiO 2(1 1 0) was studied by temperature programmed desorption (TPD), X-ray photoelectron spectroscopy (XPS) and low energy ion scattering (LEIS). On all of the Ni surfaces investigated, methane and hydrogen were observed as gaseous products in the TPD experiments, and the only sulfur-containing species that desorbed from the surface was methanethiol itself at low temperatures. The two pathways for methanethiol reaction were hydrodesulfurization to produce methane and nonselective decomposition, which leaves atomic carbon and sulfur on the surface. From high resolution XPS studies, methyl thiolate was identified as the surface intermediate for reaction on TiO 2 and on all of the Ni surfaces investigated, similar to what is observed on single-crystal Ni surfaces. However, the binding sites for methyl thiolate on the 1 ML (monolayer) Ni clusters were different from those on the Ni clusters at coverages of 2.5 ML and higher, based on the S(2p) binding energies for methyl thiolate. No distinct changes in activity or selectivity were observed for the smaller Ni clusters grown at low coverage compared to the more film-like Ni surfaces other than what could be accounted for by changes in total surface area. Interactions between the Ni clusters and the TiO 2 support had two main effects on chemical activity. First, carbon was oxidized by oxygen from the TiO 2 lattice to produce CO at temperatures above 800 K. Second, annealing induced encapsulation of the Ni clusters by reduced TiO x and chemisorbed oxygen. At 800 K, the Ni clusters were totally encapsulated, resulting in a complete loss of methanethiol activity; partial encapsulation at 700 K caused a smaller decrease in activity accompanied by increased oxidation of carbon by lattice oxygen.

Temperature-dependent surface density of alkylthiol monolayers on gold nanocrystals

NASA Astrophysics Data System (ADS)

Liu, Xuepeng; Lu, Pin; Zhai, Hua; Wu, Yucheng

2018-03-01

Atomistic molecular dynamics (MD) simulations are performed to study the surface density of passivating monolayers of alkylthiol chains on gold nanocrystals at temperatures ranging from 1 to 800 K. The results show that the surface density of alkylthiol monolayer reaches a maximum value at near room temperature (200-300 K), while significantly decreases with increasing temperature in the higher temperature region (> 300 {{K}}), and slightly decreases with decreasing temperature at low temperature (< 200 {{K}}). We find that the temperature dependence of surface ligand density in the higher temperature region is attributed to the substantial ligand desorption induced by the thermal fluctuation, while that at low temperature results from the reduction in entropy caused by the change in the ordering of passivating monolayer. These results are expected helpful to understand the temperature-dependent surface coverage of gold nanocrystals.

Bioavailability of organic and inorganic phosphates adsorbed on short-range ordered aluminum precipitate.

PubMed

Shang, C; Caldwell, D E; Stewart, J W; Tiessen, H; Huang, P M

1996-01-01

A nonreductive community-level study of P availability was conducted using various forms of adsorbed P. Orthophosphate (Pi), inositol hexaphosphate (IHP), and glucose 6-phosphate (G6P) were adsorbed to a short-range ordered Al precipitate. These bound phosphates provided a P source sufficient to support the growth of microbial communities from acidic Brazilian soils (oxisols). Adsorbed IHP, the most abundant form of organic phosphate in most soils, had the lowest bioavailability among the three phosphates studied. Adsorbed G6P and Pi were almost equally available. The amount of adsorbed Pi (1 cmol P kg(-1)) required to support microbial growth was at least 30 times less than that of IHP (30 cmol P kg(-1)). With increased surface coverage, adsorbed IHP became more bioavailable. This availability was attributed to a change in the structure of surface complexes and presumably resulted from the decreased number of high-affinity surface sites remaining at high levels of coverage. It thus appears that the bioavailability of various forms of adsorbed phosphate was determined primarily by the stability of the phosphate-surface complexes that they formed, rather than by the total amount of phosphate adsorbed. IHP, having the potential to form stable multiple-ring complexes, had the highest surface affinity and the lowest bioavailability. Bioaggregates consisting of bacteria and Al precipitate were observed and may be necessary for effective release of adsorbed P. Bacteria in the genera Enterobacter and Pseudomonas were the predominate organisms selected during these P-limited enrichments.

Adsorption of Lysine on Na-Montmorillonite and Competition with Ca(2+): A Combined XRD and ATR-FTIR Study.

PubMed

Yang, Yanli; Wang, Shengrui; Liu, Jingyang; Xu, Yisheng; Zhou, Xiaoyun

2016-05-17

Lysine adsorption at clay/aqueous interfaces plays an important role in the mobility, bioavailability, and degradation of amino acids in the environment. Knowledge of these interfacial interactions facilitates our full understanding of the fate and transport of amino acids. Here, X-ray diffraction (XRD) and attenuated total reflectance Fourier-transform infrared spectroscopy (ATR-FTIR) measurements were used to explore the dynamic process of lysine adsorption on montmorillonite and the competition with Ca(2+) at the molecular level. Density functional theory (DFT) calculations were employed to determine the peak assignments of dissolved lysine in the solution phase. Three surface complexes, including dicationic, cationic, and zwitterionic structures, were observed to attach to the clay edge sites and penetrate the interlayer space. The increased surface coverage and Ca(2+) competition did not affect the interfacial lysine structures at a certain pH, whereas an elevated lysine concentration contributed to zwitterionic-type coordination at pH 10. Moreover, clay dissolution at pH 4 could be inhibited at a higher surface coverage with 5 and 10 mM lysine, whereas the inhibition effect was inconspicuous or undetected at pH 7 and 10. The presence of Ca(2+) not only could remove a part of the adsorbed lysine but also could facilitate the readsorption of dissolved Si(4+) and Al(3+) and surface protonation. Our results provide new insights into the process of lysine adsorption and its effects on montmorillonite surface sites.

Surface diffusion of Sb on Ge(111) investigated by second harmonic microscopy

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

Schultz, K.A.

Surface diffusion of Sb on Ge(111) has been measured with the newly-developed technique of second harmonic microscopy. In this method, concentration profiles at submonolayer coverage are imaged directly by second harmonic generation with 5 [mu]m spatial resolution. A Boltzmann-Matano analysis of the concentration profiles yields the coverage dependence of the diffusivity D without parameterization. Experiments were performed at roughly 70% of the bulk melting temperature T[sub m]. In the coverage range of 0 < [theta] < 0.6, the activation energy E[sub diff] remains constant at 47.5 [+-] 1.5 kcal/mol. The corresponding pre-exponential factor decreases from 8.7 [times] 10[sup 3[+-]0.4] tomore » 1.6 [times] 10[sup 2[+-]0.4] cm[sup 2]/sec. The results are explained in terms of a new vacancy model for surface diffusion at high-temperatures. The model accounts semiquantitatively for the large values of E[sub diff] and D[sub o], and suggest that these quantities may be manipulated by bulk doping levels and photon illumination of the surface.« less

Iron phthalocyanine on Cu(111): Coverage-dependent assembly and symmetry breaking, temperature-induced homocoupling, and modification of the adsorbate-surface interaction by annealing.

PubMed

Snezhkova, Olesia; Bischoff, Felix; He, Yuanqin; Wiengarten, Alissa; Chaudhary, Shilpi; Johansson, Niclas; Schulte, Karina; Knudsen, Jan; Barth, Johannes V; Seufert, Knud; Auwärter, Willi; Schnadt, Joachim

2016-03-07

We have examined the geometric and electronic structures of iron phthalocyanine assemblies on a Cu(111) surface at different sub- to mono-layer coverages and the changes induced by thermal annealing at temperatures between 250 and 320 °C by scanning tunneling microscopy, x-ray photoelectron spectroscopy, and x-ray absorption spectroscopy. The symmetry breaking observed in scanning tunneling microscopy images is found to be coverage dependent and to persist upon annealing. Further, we find that annealing to temperatures between 300 and 320 °C leads to both desorption of iron phthalocyanine molecules from the surface and their agglomeration. We see clear evidence of temperature-induced homocoupling reactions of the iron phthalocyanine molecules following dehydrogenation of their isoindole rings, similar to what has been observed for related tetrapyrroles on transition metal surfaces. Finally, spectroscopy indicates a modified substrate-adsorbate interaction upon annealing with a shortened bond distance. This finding could potentially explain a changed reactivity of Cu-supported iron phthalocyanine in comparison to that of the pristine compound.

Coverage and velocity dependent sticking coefficient and particle emission kinetics in the Cl2gas + Ksolid reaction

NASA Astrophysics Data System (ADS)

Hellberg, Lars; Kasemo, Bengt

Some strongly exothermic and non-adiabatic surface adsorption events, especially those where electronegative molecules adsorb on very electropositive (low work function) surfaces, are accompanied by emission of (exo)electrons, photons, excited atoms and negative ions. The reaction of halogen molecules with halogen surfaces constitute an efficient model system for such studies. We have previously reported data for the emission of negative particles and photons in the zero coverage limit for a range of velocities of Cl2 molecules impinging on cold potassium surfaces as well as the mechanism behind these emission processes. In the present work, we focus on measurements of the kinetics, i.e. the exposure/coverage dependence, of these processes for the same system. Specifically, we present data for, (i) the separated contributions from electrons and Cl- ions of the emitted negative particles, (ii) the photon emission stemming both from excited Potassium atoms and from the equivalent process causing electron emission, (iii) the change of the work function during the initial exposure and, finally, (iv) the sticking coefficient for different Cl2 velocities and exposures.

Targeted delivery of 10-hydroxycamptothecin to human breast cancers by cyclic RGD-modified lipid-polymer hybrid nanoparticles.

PubMed

Yang, Zhe; Luo, Xingen; Zhang, Xiaofang; Liu, Jie; Jiang, Qing

2013-04-01

Lipid-polymer hybrid nanoparticles (NPs) combining the positive attributes of both liposomes and polymeric NPs are increasingly being considered as promising candidates to carry therapeutic agents safely and efficiently into targeted sites. Herein, a modified emulsification technique was developed and optimized for the targeting lipid-polymer hybrid NPs fabrication; the surface properties and stability of the hybrid NPs were systematically investigated, which confirmed that the hybrid NPs consisted of a poly (lactide-co-glycolide) core with ∼90% surface coverage of the lipid monolayer and a ∼4.4 nm hydrated polyethylene glycol (PEG) shell. Optimization results showed that the lipid:polymer mass ratio and the lipid-PEG:lipid molar ratio could affect the size, lipid association efficiency and stability of hybrid NPs. Furthermore, a model chemotherapy drug, 10-hydroxycamptothecin, was encapsulated into hybrid NPs with a higher drug loading compared to PLGA NPs. Surface modification of the lipid layer and the PEG conjugated targeting ligand did not affect their drug release kinetics. Finally, the cytotoxicity and cellular uptake studies indicated that the lipid coverage and the c(RGDyk) conjugation of the hybrid NPs gained a significantly enhanced ability of cell killing and endocytosis. Our results suggested that lipid-polymer hybrid NPs prepared by the modified emulsion technique have great potential to be utilized as an engineered drug delivery system with precise control ability of surface targeting modification.

Electrografted diazonium salt layers for antifouling on the surface of surface plasmon resonance biosensors.

PubMed

Zou, Qiongjing; Kegel, Laurel L; Booksh, Karl S

2015-02-17

Electrografted diazonium salt layers on the surface of surface plasmon resonance (SPR) sensors present potential for a significant improvement in antifouling coatings. A pulsed potential deposition profile was used in order to circumvent mass-transport limitations for layer deposition rate. The influence of number of pulses with respect to antifouling efficacy was evaluated by nonspecific adsorption surface coverage of crude bovine serum proteins. Instead of using empirical and rough estimated values, the penetration depth and sensitivity of the SPR instrument were experimentally determined for the calculation of nonspecific adsorption surface coverage. This provides a method to better examine antifouling surface coatings and compare crossing different coatings and experimental systems. Direct comparison of antifouling performance of different diazonium salts was facilitated by a tripad SPR sensor design. The electrografted 4-phenylalanine diazonium chloride (4-APhe) layers with zwitterionic characteristic demonstrate ultralow fouling.

ELLIPSOMETRY OF ELECTROCHEMICAL SURFACE LAYERS

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

Muller, R.H.

1977-06-01

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

Flight Testing Surfaces Engineered for Mitigating Insect Adhesion on a Falcon HU-25C

NASA Technical Reports Server (NTRS)

Shanahan, Michelle; Wohl, Chris J.; Smith, Joseph G., Jr.; Connell, John W.; Siochi, Emilie J.; Doss, Jereme R.; Penner, Ronald K.

2015-01-01

Insect residue contamination on aircraft wings can decrease fuel efficiency in aircraft designed for natural laminar flow. Insect residues can cause a premature transition to turbulent flow, increasing fuel burn and making the aircraft less environmentally friendly. Surfaces, designed to minimize insect residue adhesion, were evaluated through flight testing on a Falcon HU-25C aircraft flown along the coast of Virginia and North Carolina. The surfaces were affixed to the wing leading edge and the aircraft remained at altitudes lower than 1000 feet throughout the flight to assure high insect density. The number of strikes on the engineered surfaces was compared to, and found to be lower than, untreated aluminum control surfaces flown concurrently. Optical profilometry was used to determine insect residue height and areal coverage. Differences in results between flight and laboratory tests suggest the importance of testing in realistic use environments to evaluate the effectiveness of engineered surface designs.

Light transfer through windows with external condensation

NASA Astrophysics Data System (ADS)

Zhu, Keyong; Li, Shaoling; Pilon, Laurent

2018-03-01

This study investigates systematically light transfer through windows supporting cap-shaped droplets on their external face. The presence of such droplets may have negative effects on the conversion efficiency of solar cells, distorts image quality of lenses, or hinders visibility through windows and windshields. Here, the directional-hemispherical transmittance was predicted by the Monte Carlo ray-tracing method. The droplets were monodisperse or polydisperse randomly distributed on the outside face of optically smooth windows. For nonabsorbing droplets, the diameter and size distribution did not have a significant effect on the window directional-hemispherical transmittance. The latter was nearly independent of contact angle for incident angle θi ≤ 30°. However, the directional-hemispherical transmittance decreased monotonously with increasing incident angle and droplet contact angle for contact angle θc ≤ 70° to reach a minimum at a contact angle θc,min beyond which it increased with increasing contact angle before reaching a plateau at large contact angles. This was attributed to total internal reflection at the back window/air and droplet/air interfaces. For absorbing droplets, the normal-hemispherical transmittance decreased significantly with increasing droplet contact angle, mean diameter, polydispersity, and projected surface area coverage due to strong absorption within the droplets. Moreover, the normal-hemispherical transmittance decreased with increasing contact angle for θc< 90° and remained constant and independent of the droplets' absorption index, mean diameter, and contact angle for θc ≥ 90°. Finally, Analytical expressions for the upper and lower bounds of the normal-hemispherical transmittance as a function of droplet contact angle, optical properties, and projected surface area coverage were derived.

Restoring the hydrologic response to pre-developed conditions in an urbanized headwater catchment: Reality or utopia?

NASA Astrophysics Data System (ADS)

Wright, O.; Istanbulluoglu, E.

2012-12-01

The conversion of forested areas to impervious surfaces, lawns and pastures alters the natural hydrology of an area by increasing the flashiness of stormwater generated runoff, resulting in increased streamflow peaks and volumes. Currently, most of the stormwater from developed areas in the Puget Sound region remains uncontrolled. The lack of adequate stormwater facilities along with increasing urbanization and population growth illustrates the importance of understanding urban watershed behavior and best management practices (BMPs) that improve changes in hydrology. In this study, we developed a lumped urban ecohydrology model that represents vegetation dynamics, connects pervious and impervious surfaces and implements various BMP scenarios. The model is implemented in an urban headwater subcatchment located in the Newaukum Creek Basin. We evaluate the hydrologic impact of controlling runoff at the source and disconnecting impervious surfaces from the storm drain using rain barrels and bioretention cells. BMP scenarios consider the basin's land use/land coverage, the response of different impervious surface types, the potential for BMP placement, the size and drainage area for BMPs, and the mitigation needs to meet in-stream flow goals.

Tropical cyclone rainfall area controlled by relative sea surface temperature

PubMed Central

Lin, Yanluan; Zhao, Ming; Zhang, Minghua

2015-01-01

Tropical cyclone rainfall rates have been projected to increase in a warmer climate. The area coverage of tropical cyclones influences their impact on human lives, yet little is known about how tropical cyclone rainfall area will change in the future. Here, using satellite data and global atmospheric model simulations, we show that tropical cyclone rainfall area is controlled primarily by its environmental sea surface temperature (SST) relative to the tropical mean SST (that is, the relative SST), while rainfall rate increases with increasing absolute SST. Our result is consistent with previous numerical simulations that indicated tight relationships between tropical cyclone size and mid-tropospheric relative humidity. Global statistics of tropical cyclone rainfall area are not expected to change markedly under a warmer climate provided that SST change is relatively uniform, implying that increases in total rainfall will be confined to similar size domains with higher rainfall rates. PMID:25761457

Simulated management effects on ammonia emissions from field applied manure.

PubMed

Smith, E; Gordon, R; Bourque, C; Campbell, A; Génermont, S; Rochette, P; Mkhabela, M

2009-06-01

A need exists to improve the utilization of manure nutrients by minimizing NH(3) emissions from land application of manure. Management strategies to reduce NH(3) emissions are available; however, few have been validated under Canadian conditions. A well tested and accurate simulation model, however, can help overcome this challenge by determining appropriate management strategies for a given set of field conditions. The Volt'Air simulation model was utilized to estimate NH(3) volatilization from manure spreading for various manure spreading considerations under a range of atmospheric conditions typically encountered in eastern Canada. Considerations included: (i) soil liming, (ii) time of day of manure spreading, (iii) rainfall (timing and amount) and (iv) manure incorporation (timing, depth and manure coverage). Results demonstrated that liming to increase soil pH, increased NH(3) emissions by 3.3 kg ha(-1) for each increment of 0.1 pH (up to a 1.5 total increase), over no liming at 34.6 kg ha(-1). For each hour delay in manure spreading past 0800 h, NH(3) losses were reduced by 1.5 kg ha(-1). Rainfall (10mm) at least 20 h after manure application reduced losses, with increased reductions at higher rainfall amounts. Incorporation soon (1h) after application was best for NH(3) mitigation. Increasing the depth of incorporation by 5c m reduced NH(3) emissions by 4.4 kg ha(-1); also increasing manure coverage by incorporation reduced losses by 2 kg ha(-1) for each 10% increase in coverage, compared to surface application at 34.6 kg ha(-1). This investigation using Volt'Air yielded valuable information about simulating manure management strategies and the magnitude of their effects on NH(3) emissions.

Influence of preadsorbed oxygen on activated chemisorption of methane on Pd(110)

NASA Astrophysics Data System (ADS)

Valden, M.; Pere, J.; Xiang, N.; Pessa, M.

1996-07-01

Dissociative chemisorption of methane on clean and oxygen modified Pd(110) has been studied by using molecular beam surface scattering. The absolute dissociation probability of CH 4 ( Stot) is found to increase exponentially with the incident normal energy ( En) of CH 4 and with surface temperature ( TS) on clean Pd(110). The kinetic isotope effect is also found; namely, Stot of CD 4 is 4 to 5 times smaller than Stot of CH 4 throughout the entire range of En studied. These results are consistent with a direct dissociation mechanism. Measurements on preadsorbed oxygen on Pd(110) show that Stot of CH 4 decreases linearly, as oxygen coverage is increased from 0 to 0.4 ML in good agreement with the first-order Langmuir kinetics when approximately two active sites are blocked by one oxygen atom. No influence of the oxygen induced surface reconstructions on the dissociative adsorption kinetics of CH 4 is observed.

Molecular diagnostics using magnetic nanobeads

NASA Astrophysics Data System (ADS)

Zardán Gómez de la Torre, Teresa; Strömberg, Mattias; Göransson, Jenny; Gunnarsson, Klas; Nilsson, Mats; Svedlindh, Peter; Strømme, Maria

2010-01-01

In this paper, we investigate the volume-amplified magnetic nanobead detection assay with respect to bead size, bead concentration and bead oligonucleotide surface coverage in order to improve the understanding of the underlying microscopic mechanisms. It has been shown that: (i) the immobilization efficiency of the beads depends on the surface coverage of oligonucleotides, (ii) by using lower amounts of probe-tagged beads, detection sensitivity can be improved and (iii) using small enough beads enables both turn-off and turn-on detection. Finally, biplex detection was demonstrated.

Adsorption and Structure of Chiral Epoxides on Pd(111): Propylene Oxide and Glycidol

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

Mahapatra, Mausumi; Tysoe, Wilfred T.

Here, the adsorption of enantiopure versus racemic propylene oxide (PO) on Pd(111) is studied by temperature-programmed desorption (TPD) to explore possible differences in their saturation coverage. It is found that that the saturation coverage of enantiopure PO on Pd(111) is identical to that of racemic PO, in contrast to results on Pt(111) where significant coverage differences were found. The surface structures of enantiopure PO on Pd(111) were characterized by scanning tunneling microscopy (STM), which shows the formation of linear chains and hexagonal structures proposed to be due to freely rotating PO, in contrast to the relatively disordered PO overlayers foundmore » on Pt(111). STM experiments were carried out for enantiopure glycidol, which contains the same epoxy ring as PO, but where the methyl group of propylene oxide is replaced by a -CH 2OH group to provide a hydrogen-bonding sites. Glycidol STM images show the formation of completely different surface structures; at low coverages, glycidol forms pseudohexagonal structures which assemble from glycidol dimers, while at high coverages the surface shows extensive hydrogen-bonded networks. Density functional theory (DFT) calculations were carried out to model the enantiopure PO linear chain and the glycidol dimers that are observed by STM. Similar calculations were carried out for racemic PO and glycidol structures. The calculated interaction energies for the enantiopure and the racemic pairs reveal that there is no difference for homochiral versus heterochiral structures for both PO and glycidol on Pd(111).« less

Adsorption and Structure of Chiral Epoxides on Pd(111): Propylene Oxide and Glycidol

DOE PAGES

Mahapatra, Mausumi; Tysoe, Wilfred T.

2018-01-03

Here, the adsorption of enantiopure versus racemic propylene oxide (PO) on Pd(111) is studied by temperature-programmed desorption (TPD) to explore possible differences in their saturation coverage. It is found that that the saturation coverage of enantiopure PO on Pd(111) is identical to that of racemic PO, in contrast to results on Pt(111) where significant coverage differences were found. The surface structures of enantiopure PO on Pd(111) were characterized by scanning tunneling microscopy (STM), which shows the formation of linear chains and hexagonal structures proposed to be due to freely rotating PO, in contrast to the relatively disordered PO overlayers foundmore » on Pt(111). STM experiments were carried out for enantiopure glycidol, which contains the same epoxy ring as PO, but where the methyl group of propylene oxide is replaced by a -CH 2OH group to provide a hydrogen-bonding sites. Glycidol STM images show the formation of completely different surface structures; at low coverages, glycidol forms pseudohexagonal structures which assemble from glycidol dimers, while at high coverages the surface shows extensive hydrogen-bonded networks. Density functional theory (DFT) calculations were carried out to model the enantiopure PO linear chain and the glycidol dimers that are observed by STM. Similar calculations were carried out for racemic PO and glycidol structures. The calculated interaction energies for the enantiopure and the racemic pairs reveal that there is no difference for homochiral versus heterochiral structures for both PO and glycidol on Pd(111).« less

Dust coatings on basaltic rocks and implications for thermal infrared spectroscopy of Mars

USGS Publications Warehouse

Johnson, J. R.; Christensen, P.R.; Lucey, P.G.

2002-01-01

Thin coatings of atmospherically deposited dust can mask the spectral characteristics of underlying surfaces on Mars from the visible to thermal infrared wavelengths, making identification of substrate and coating mineralogy difficult from lander and orbiter spectrometer data. To study the spectral effects of dust coatings, we acquired thermal emission and hemispherical reflectance spectra (5-25 μm; 2000-400 cm-1) of basaltic andesite coated with different thicknesses of air fall-deposited palagonitic soils, fine-grained ceramic clay powders, and terrestrial loess. The results show that thin coatings (10-20 μm) reduce the spectral contrast of the rock substrate substantially, consistent with previous work. This contrast reduction continues linearly with increasing coating thickness until a "saturation thickness" is reached, after which little further change is observed. The saturation thickness of the spectrally flat palagonite coatings is ~100-120 μm, whereas that for coatings with higher spectral contrast is only ~50-75 μm. Spectral differences among coated and uncoated samples correlate with measured coating thicknesses in a quadratic manner, whereas correlations with estimated surface area coverage are better fit by linear functions. Linear mixture modeling of coated samples using the rock substrate and coating materials as end-members is also consistent with their measured coating thicknesses and areal coverage. A comparison of ratios of Thermal Emission Spectrometer (TES) spectra of dark and bright intracrater and windstreak deposits associated with Radau crater suggests that the dark windstreak material may be coated with as much as 90% areal coverage of palagonitic dust. The data presented here also will help improve interpretations of upcoming mini-TES and Thermal Emission Imaging System (THEMIS) observations of coated Mars surface materials.

Temporal evolution of ice velocities of Storstrømmen between 1975 and 2016 shows clear signs of a surge event.

NASA Astrophysics Data System (ADS)

Havelund, Natalia; Karlsson, Nanna; Sørensen, Louise; Simonsen, Sebastian; Grinsted, Aslak

2017-04-01

For at least the last two decades the Greenland ice sheet has experienced an increased mass loss due to a warming climate. Many of the outlet glaciers in Greenland have been associated with speed-up in surface velocities in recent years. However, Storstrømmen in North-eastern Greenland displays a different behaviour, with decreasing velocities near the terminus. Here, we present surface velocities of Storstrømmen from the 40-year period 1975-2016 in order to investigate the temporal evolution of this major outlet glacier from the Greenland ice sheet. Surface velocities are derived from optical Landsat images (Landsat 2, 5, 7, and 8) and using the method of feature tracking as implemented in the ImGRAFT toolbox. The successes of the method are highly susceptible to cloud coverage or extended snow coverage. During periods where no optical Landsat images were available, data from MEaSURES (Making Earth System Data Records for Use in Research Environments) have been used to fill-in. The two different dataset are seasonally biased, and to bring insights in to the differences between the optical and radar derived velocities, we also investigate the seasonal variability of the velocity using data from Sentinel-1 SAR obtained multiple times during 2015 to 2016. We find that the surface velocities of Storstrømmen peaked in 1985, and have subsequently decreased. Hence, in contrast to the neighbouring Nioghalvfjerdsfjorden glacier, Storstrømmen is not experiencing increasing ice velocities. Our findings supports previous studies that found that Storstrømmen glacier was surging between 1978 and 1984. However, in spite of the surge the upper region has remained nearly stagnant during and after the surge.

Long-Term Effects of Changing Land Use Practices on Surface Water Quality in a Coastal River and Lagoonal Estuary

NASA Astrophysics Data System (ADS)

Rothenberger, Meghan B.; Burkholder, Joann M.; Brownie, Cavell

2009-09-01

The watershed of the Neuse River, a major tributary of the largest lagoonal estuary on the U.S. mainland, has sustained rapid growth of human and swine populations. This study integrated a decade of available land cover and water quality data to examine relationships between land use changes and surface water quality. Geographic Information Systems (GIS) analysis was used to characterize 26 subbasins throughout the watershed for changes in land use during 1992-2001, considering urban, agricultural (cropland, animal as pasture, and densities of confined animal feed operations [CAFOs]), forested, grassland, and wetland categories and numbers of wastewater treatment plants (WWTPs). GIS was also used together with longitudinal regression analysis to identify specific land use characteristics that influenced surface water quality. Total phosphorus concentrations were significantly higher during summer in subbasins with high densities of WWTPs and CAFOs. Nitrate was significantly higher during winter in subbasins with high numbers of WWTPs, and organic nitrogen was higher in subbasins with higher agricultural coverage, especially with high coverage of pastures fertilized with animal manure. Ammonium concentrations were elevated after high precipitation. Overall, wastewater discharges in the upper, increasingly urbanized Neuse basin and intensive swine agriculture in the lower basin have been the highest contributors of nitrogen and phosphorus to receiving surface waters. Although nonpoint sources have been emphasized in the eutrophication of rivers and estuaries such as the Neuse, point sources continue to be major nutrient contributors in watersheds sustaining increasing human population growth. The described correlation and regression analyses represent a rapid, reliable method to relate land use patterns to water quality, and they can be adapted to watersheds in any region.

Adsorption differences between low coverage enantiomers of alanine on the chiral Cu{421}R surface.

PubMed

Gladys, Michael J; Han, Jeong Woo; Pedersen, Therese S; Tadich, Anton; O'Donnell, Kane M; Thomsen, Lars

2017-05-31

Chiral separation using heterogeneous methods has long been sought after. Chiral metal surfaces have the potential to make it possible to model these systems using small amino acids, the building blocks for proteins. A comparison of submonolayer concentrations of alanine enantiomers adsorbed onto Cu{421} R has revealed a large geometrical differences between the two molecules as compared to the saturated coverage. Large differences were observed in HR-XPS and NEXAFS and complemented by theoretical DFT calculations. At approximately one third of a monolayer a comparison of the C1s XPS signal showed a shift in the methyl group of more than 300 meV indicating that the two enantiomers are in different chemical environments. NEXAFS spectroscopy confirmed the XPS variations and showed large differences in the orientation of the adsorbed molecules. Our DFT results show that the l-enantiomer is energetically the most stable in the {311} microfacet configuration. In contrast to the full monolayer coverage, these lower coverages showed enhanced selectivity.

Effect of Illumination Angle on the Performance of Dusted Thermal Control Surfaces in a Simulated Lunar Environment

NASA Technical Reports Server (NTRS)

Gaier, James R.

2009-01-01

JSC-1A lunar simulant has been applied to AZ93 and AgFEP thermal control surfaces on aluminum substrates in a simulated lunar environment. The temperature of these surfaces was monitored as they were heated with a solar simulator using varying angles of incidence and cooled in a 30 K coldbox. Thermal modeling was used to determine the solar absorptivity (a) and infrared emissivity (e) of the thermal control surfaces in both their clean and dusted states. It was found that even a sub-monolayer of dust can significantly raise the a of either type of surface. A full monolayer can increase the a/e ratio by a factor of 3 to 4 over a clean surface. Little angular dependence of the a of pristine thermal control surfaces for both AZ93 and AgFEP was observed, at least until 30 from the surface. The dusted surfaces showed the most angular dependence of a when the incidence angle was in the range of 25 to 35 . Samples with a full monolayer, like those with no dust, showed little angular dependence in a. The e of the dusted thermal control surfaces was within the spread of clean surfaces, with the exception of high dust coverage, where a small increase was observed at shallow angles.

Generalized scaling relationships on transition metals: Influence of adsorbate-coadsorbate interactions

NASA Astrophysics Data System (ADS)

Majumdar, Paulami; Greeley, Jeffrey

2018-04-01

Linear scaling relations of adsorbate energies across a range of catalytic surfaces have emerged as a central interpretive paradigm in heterogeneous catalysis. They are, however, typically developed for low adsorbate coverages which are not always representative of realistic heterogeneous catalytic environments. Herein, we present generalized linear scaling relations on transition metals that explicitly consider adsorbate-coadsorbate interactions at variable coverages. The slopes of these scaling relations do not follow the simple bond counting principles that govern scaling on transition metals at lower coverages. The deviations from bond counting are explained using a pairwise interaction model wherein the interaction parameter determines the slope of the scaling relationship on a given metal at variable coadsorbate coverages, and the slope across different metals at fixed coadsorbate coverage is approximated by adding a coverage-dependent correction to the standard bond counting contribution. The analysis provides a compact explanation for coverage-dependent deviations from bond counting in scaling relationships and suggests a useful strategy for incorporation of coverage effects into catalytic trends studies.

Tunneling electron induced chemisorption of copper phthalocyanine molecules on the Cu(111) surface

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

Stock, T.; Nogami, J.

2014-02-17

The adsorption of up to one monolayer (ML) of copper phthalocyanine (CuPc) molecules on a room temperature Cu(111) surface has been studied using scanning tunneling microscopy (STM). Below 1 ML the molecules are in a fluid state and are highly mobile on the surface. At 1 ML coverage the molecules coalesce into a highly ordered 2D crystal phase. At sub-ML coverages, chemisorption of individual CuPc molecules can be induced through exposure to tunneling electrons at a tunneling bias voltage exceeding a threshold value. This tunneling electron induced effect has been exploited to perform molecular STM lithography.

Analysis and simulation of wireless signal propagation applying geostatistical interpolation techniques

NASA Astrophysics Data System (ADS)

Kolyaie, S.; Yaghooti, M.; Majidi, G.

2011-12-01

This paper is a part of an ongoing research to examine the capability of geostatistical analysis for mobile networks coverage prediction, simulation and tuning. Mobile network coverage predictions are used to find network coverage gaps and areas with poor serviceability. They are essential data for engineering and management in order to make better decision regarding rollout, planning and optimisation of mobile networks.The objective of this research is to evaluate different interpolation techniques in coverage prediction. In method presented here, raw data collected from drive testing a sample of roads in study area is analysed and various continuous surfaces are created using different interpolation methods. Two general interpolation methods are used in this paper with different variables; first, Inverse Distance Weighting (IDW) with various powers and number of neighbours and second, ordinary kriging with Gaussian, spherical, circular and exponential semivariogram models with different number of neighbours. For the result comparison, we have used check points coming from the same drive test data. Prediction values for check points are extracted from each surface and the differences with actual value are computed. The output of this research helps finding an optimised and accurate model for coverage prediction.

Periodic domain boundary ordering in a dense molecular adlayer: Sub-saturation carbon monoxide on Pd(111)

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

Xu, Pan; Liu, Shizhong; Hong, Sung -Young

Here, we describe a previously unreported ordered phase of carbon monoxide adsorbed on the (111) facet of single crystal palladium at near-saturation coverage. The adlayer superstructure is identified from low energy electron diffraction to be c(16×2) with respect to the underlying Pd(111) surface net. The ideal coverage is determined to be 0.6875 ML, approximately 92% of the 0.75–ML saturation coverage. Density functional theory calculations support a model for the molecular packing characterized by strips of locally-saturated (2×2) regions, with the CO bound near high-symmetry surface sites, separated by antiphase domain boundaries. The structure exists in a narrow coverage range andmore » is prepared by heating the saturated adlayer to desorb a small fraction of the CO. Comparison of the c(16×2) domain-boundary structure with structural motifs at lower coverages suggests that between 0.6 and 0.6875 ML the adlayer order may be more strongly influenced by interadsorbate repulsion than by adsorption-site-specific interactions. The system is an example of the structural complexity that results from the compromise between adsorbate–substrate and adsorbate–adsorbate interactions.« less

Periodic domain boundary ordering in a dense molecular adlayer: Sub-saturation carbon monoxide on Pd(111)

DOE PAGES

Xu, Pan; Liu, Shizhong; Hong, Sung -Young; ...

2016-12-31

Here, we describe a previously unreported ordered phase of carbon monoxide adsorbed on the (111) facet of single crystal palladium at near-saturation coverage. The adlayer superstructure is identified from low energy electron diffraction to be c(16×2) with respect to the underlying Pd(111) surface net. The ideal coverage is determined to be 0.6875 ML, approximately 92% of the 0.75–ML saturation coverage. Density functional theory calculations support a model for the molecular packing characterized by strips of locally-saturated (2×2) regions, with the CO bound near high-symmetry surface sites, separated by antiphase domain boundaries. The structure exists in a narrow coverage range andmore » is prepared by heating the saturated adlayer to desorb a small fraction of the CO. Comparison of the c(16×2) domain-boundary structure with structural motifs at lower coverages suggests that between 0.6 and 0.6875 ML the adlayer order may be more strongly influenced by interadsorbate repulsion than by adsorption-site-specific interactions. The system is an example of the structural complexity that results from the compromise between adsorbate–substrate and adsorbate–adsorbate interactions.« less

Land and federal mineral ownership coverage for the Uinta Basin, Wasatch Plateau and surrounding areas, northeastern Utah

USGS Publications Warehouse

Biewick, L.H.; Green, G.A.

1999-01-01

This Arc/Info coverage contains land status and Federal and State mineral ownership for approximately 25,900 square miles in northeastern Utah. The polygon coverage (which is also provided here as a shapefile) contains three attributes of ownership information for each polygon. One attribute indicates whether the surface is State owned, privately owned, consists of Tribal and Indian lands, or, if Federally owned, which Federal agency manages the land surface. Another attribute indicates where the Utah School and Institutional Trust Lands Administration (SITLA) maintains full or partial subsurface mineral rights. The third attribute indicates which energy minerals, if any, are owned by the Federal govenment. This coverage is based on land management status and Federal and State mineral ownership data compiled by the U.S. Geological Survey (USGS), the former U.S. Bureau of Mines (USBM), and the Utah School and Institutional Trust Lands Administration at a scale of 1:100,000. This coverage was compiled primarily to serve the USGS National Oil and Gas Resource Assessment Project in the Uinta-Piceance Basin Province and the USGS National Coal Resource Assessment Project in the Colorado Plateau.

Twelve-year trends in health insurance coverage among Latinos, by subgroup and immigration status.

PubMed

Shah, N Sarita; Carrasquillo, Olveen

2006-01-01

We examine twelve-year trends in the Latino uninsured population by ethnic subgroup and immigration status. From 1993 to 1999, most Latino subgroups, particularly Puerto Ricans, had large decreases in Medicaid coverage. For some subgroups these were offset by increases in employer coverage, but not for Mexicans, resulting in a four-percentage-point increase in their uninsured population. During 2000-2004, Medicaid/SCHIP expansions benefited most subgroups and mitigated smaller losses in employer coverage. However, during 1993-2004, the percentage of noncitizen Latinos lacking coverage increased by several percentage points. This was attributable to Medicaid losses during 1993-1999 and losses in employer coverage during 2000-2004.

On the use of electrokinetic phenomena of the second kind for probing electrode kinetic properties of modified electron-conducting surfaces.

PubMed

Duval, Jérôme F L; Sorrenti, Estelle; Waldvogel, Yves; Görner, Tatiana; De Donato, Philippe

2007-04-14

The electrokinetic features of electron-conducting substrates, as measured in a conventional thin-layer electrokinetic cell, strongly depend on the extent of bipolar faradaic depolarisation of the interface formed with the adjacent electrolytic solution. Streaming potential versus applied pressure data obtained for metallic substrates must generally be interpreted on the basis of a modified Helmholtz-Smoluchowski equation corrected by an electronic conduction term-non linear with respect to the lateral potential and applied pressure gradient-that stems from the bipolar electrodic behavior of the metallic surface. In the current study, streaming potential measurements have been performed in KNO(3) solutions on porous plugs made of electron-conducting grains of pyrite (FeS(2)) covered by humic acids. For zero coverage, the extensive bipolar electronic conduction taking place in the plug-depolarized by concomitant and spatially distributed oxidation and reduction reactions of Fe(2+) and Fe(3+) species-leads to the complete extinction of the streaming potential over the entire range of applied pressure examined. For low to intermediate coverage, the local electron-transfer kinetics on the covered regions of the plug becomes more sluggish. The overall bipolar electronic conduction is then diminished which leads to an increase in the streaming potential with a non-linear dependence on the pressure. For significant coverage, a linear response is observed which basically reflects the interfacial double layer properties of the humics surface layer. A tractable, semi-analytical model is presented that reproduces the electrokinetic peculiarities of the complex and composite system FeS(2)/humics investigated. The study demonstrates that the streaming potential technique is a fast and valuable tool for establishing how well the electron transfer kinetics at a partially or completely depolarised bare electron-conducting substrate/electrolyte solution interface is either promoted (catalysis) or blocked (passivation) by the presence of a discontinuous surface layer.

Kinetic and Conformational Insights of Protein Adsorption onto Montmorillonite Revealed Using in Situ ATR-FTIR/2D-COS.

PubMed

Schmidt, Michael P; Martínez, Carmen Enid

2016-08-09

Protein adsorption onto clay minerals is a process with wide-ranging impacts on the environmental cycling of nutrients and contaminants. This process is influenced by kinetic and conformational factors that are often challenging to probe in situ. This study represents an in situ attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectroscopic investigation of the adsorption of a model protein (bovine serum albumin (BSA)) onto a clay mineral (montmorillonite) at four concentrations (1.50, 3.75, 7.50, and 15.0 μM) under environmentally relevant conditions. At all concentrations probed, FTIR spectra show that BSA readily adsorbs onto montmorillonite. Adsorption kinetics follow an Elovich model, suggesting that primary limitations on adsorption rates are surface-related heterogeneous energetic restrictions associated with protein rearrangement and lateral protein-protein interaction. BSA adsorption onto montmorillonite fits the Langmuir model, yielding K = 5.97 × 10(5) M(-1). Deconvolution and curve fitting of the amide I band at the end of the adsorption process (∼120 min) shows a large extent of BSA unfolding upon adsorption at 1.50 μM, with extended chains and turns increasing at the expense of α-helices. At higher concentrations/surface coverages, BSA unfolding is less pronounced and a more compact structure is assumed. Two-dimensional correlation spectroscopic (2D-COS) analysis reveals three different pathways corresponding to adsorbed conformations. At 1.50 μM, adsorption increases extended chains, followed by a loss in α-helices and a subsequent increase in turns. At 3.75 μM, extended chains decrease and then aggregated strands increase and side chains decrease, followed by a decrease in turns. With 7.50 and 15.0 μM BSA, the loss of side-chain vibrations is followed by an increase in aggregated strands and a subsequent decrease in turns and extended chains. Overall, the BSA concentration and resultant surface coverage have a profound impact on the dynamics of BSA adsorption onto montmorillonite. These results enhance our understanding of the molecular-level protein dynamics and stabilization of organic matter at mineral surfaces.

Aqueous phase hydrogenation of phenol catalyzed by Pd and PdAg on ZrO 2

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

Resende, Karen A.; Hori, Carla E.; Noronha, Fabio B.

The impact of particle size of ZrO 2-supported Pd and of alloying with Ag was explored for hydrogenation of phenol in aqueous phase. Kinetic assessments were performed in a batch reactor, on monometallic Pd/ZrO 2 samples with different Pd loadings (0.5%, 1% and 2%), as well as on a 1% PdAg/ZrO 2 sample. The catalytic activity normalized to accessible Pd (turnover frequency, TOF) increased with the particle size of Pd. Reaction orders in phenol and H 2 and lower activation energies suggest that smaller particles bind the reacting substrates more strongly, leading to higher surface coverages by phenol. But, surprisingly,more » smaller Pd particles exhibited lower TOFs. The lower activity of the small Pd particles is attributed to lower activation entropies for the strongly bound species. Furthermore, the presence of Ag increased the catalyst activity by decreasing the apparent energy of activation and increasing the coverages of phenol and H 2, without negatively affecting the activation entropy.« less

Aqueous phase hydrogenation of phenol catalyzed by Pd and PdAg on ZrO 2

DOE PAGES

Resende, Karen A.; Hori, Carla E.; Noronha, Fabio B.; ...

2017-08-05

The impact of particle size of ZrO 2-supported Pd and of alloying with Ag was explored for hydrogenation of phenol in aqueous phase. Kinetic assessments were performed in a batch reactor, on monometallic Pd/ZrO 2 samples with different Pd loadings (0.5%, 1% and 2%), as well as on a 1% PdAg/ZrO 2 sample. The catalytic activity normalized to accessible Pd (turnover frequency, TOF) increased with the particle size of Pd. Reaction orders in phenol and H 2 and lower activation energies suggest that smaller particles bind the reacting substrates more strongly, leading to higher surface coverages by phenol. But, surprisingly,more » smaller Pd particles exhibited lower TOFs. The lower activity of the small Pd particles is attributed to lower activation entropies for the strongly bound species. Furthermore, the presence of Ag increased the catalyst activity by decreasing the apparent energy of activation and increasing the coverages of phenol and H 2, without negatively affecting the activation entropy.« less

Influence of Polymers on the Crystal Growth Rate of Felodipine: Correlating Adsorbed Polymer Surface Coverage to Solution Crystal Growth Inhibition.

PubMed

Schram, Caitlin J; Taylor, Lynne S; Beaudoin, Stephen P

2015-10-20

The bioavailability of orally administered drugs that exhibit poor aqueous solubility can be enhanced with the use of supersaturating dosage forms. Stabilization of these forms by preventing or inhibiting crystallization in solution is an important area of study. Polymers can be used to stabilize supersaturated systems; however, the properties that impact their effectiveness as crystal growth rate inhibitors are not yet fully understood. In this study, the impact of various polymers on the crystal growth rate of felodipine and the conformation of these polymers adsorbed to crystalline felodipine was investigated in order to gain a mechanistic understanding of crystal growth inhibition. It was determined that polymer hydrophobicity impacted polymer adsorption as well as adsorbed polymer conformation. Polymer conformation impacts its surface coverage, which was shown to directly correlate to the polymer's effectiveness as a growth rate inhibitor. By modeling this correlation, it is possible to predict polymer effectiveness given the surface coverage of the polymer.

The Affordable Care Act Appears to Have Narrowed Racial and Ethnic Disparities in Insurance Coverage and Access to Care Among Young Adults.

PubMed

Lipton, Brandy J; Decker, Sandra L; Sommers, Benjamin D

2017-04-01

Prior to the Affordable Care Act, one in three young adults aged 19 to 25 years were uninsured, with substantial racial/ethnic disparities in coverage. We analyzed the separate and cumulative changes in racial/ethnic disparities in coverage and access to care among young adults after implementation of the Affordable Care Act's 2010 dependent coverage provision and 2014 Medicaid and Marketplace expansions. We find that the dependent coverage provision was associated with similar gains across racial/ethnic groups, but the 2014 expansion was associated with larger gains in coverage among Hispanics and Blacks relative to Whites. After the 2014 expansion, coverage increased by 11.0 and 10.1 percentage points among Hispanics and Blacks, respectively, compared with a 5.6 percentage point increase among Whites. The percentage with a usual source of care and a recent doctor's visit also increased more for Blacks relative to Whites. Increases in coverage were larger in Medicaid expansion compared with nonexpansion states for most racial/ethnic groups.

Influence of surface roughness on cetyltrimethylammonium bromide adsorption from aqueous solution.

PubMed

Wu, Shuqing; Shi, Liu; Garfield, Lucas B; Tabor, Rico F; Striolo, Alberto; Grady, Brian P

2011-05-17

The influence of surface roughness on surfactant adsorption was studied using a quartz crystal microbalance with dissipation (QCM-D). The sensors employed had root-mean-square (R) roughness values of 2.3, 3.1, and 5.8 nm, corresponding to fractal-calculated surface area ratios (actual/nominal) of 1.13, 1.73, and 2.53, respectively. Adsorption isotherms measured at 25 °C showed that adsorbed mass of cetyltrimethylammonium bromide per unit of actual surface area below 0.8 cmc, or above 1.2 cmc, decreases as the surface roughness increases. At the cmc, both the measured adsorbed amount and the measured dissipation increased dramatically on the rougher surfaces. These results are consistent with the presence of impurities, suggesting that roughness exacerbates well-known phenomena reported in the literature of peak impurity-related adsorption at the cmc. The magnitude of the increase, especially in dissipation, suggests that changes in adsorbed amount may not be the only reason for the observed results, as aggregates at the cmc on rougher surfaces are more flexible and likely contain larger amounts of solvent. Differences in adsorption kinetics were also found as a function of surface roughness, with data showing a second, slower adsorption rate after rapid initial adsorption. A two-rate Langmuir model was used to further examine this effect. Although adsorption completes faster on the smoother surfaces, initial adsorption at zero surface coverage is faster on the rougher surfaces, suggesting the presence of more high-energy sites on the rougher surfaces.

Bio-functionalisation of polyether ether ketone using plasma immersion ion implantation

NASA Astrophysics Data System (ADS)

Wakelin, Edgar; Yeo, Giselle; Kondyurin, Alexey; Davies, Michael; McKenzie, David; Weiss, Anthony; Bilek, Marcela

2015-12-01

Plasma immersion ion implantation (PIII) is used here to improve the surface bioactivity of polyether ether ketone (PEEK) by modifying the chemical and mechanical properties and by introducing radicals. Modifications to the chemical and mechanical properties are characterised as a function of ion fluence (proportional to treatment time) to determine the suitability of the treated surfaces for biological applications. Radical generation increases with treatment time, where treatments greater than 400 seconds result in a high concentration of long-lived radicals. Radical reactions are responsible for oxidation of the surface, resulting in a permanent increase in the polar surface energy. The nano-scale reduced modulus was found to increase with treatment time at the surface from 4.4 to 5.2 GPa. The macromolecular Young's modulus was also found to increase, but by an amount corresponding to the volume fraction of the ion implanted region. The treated surface layer exhibited cracking under cyclical loads, associated with an increased modulus due to dehydrogenation and crosslinking, however it did not show any sign of delamination, indicating that the modified layer is well integrated with the substrate - a critical factor for bioactive surface coatings to be used in-vivo. Protein immobilisation on the PIII treated surfaces was found to saturate after 240 seconds of treatment, indicating that there is room to tune surface mechanical properties for specific applications without affecting the protein coverage. Our findings indicate that the modification of the chemical and mechanical properties by PIII treatments as well as the introduction of radicals render PEEK well suited for use in orthopaedic implantable devices.

Ab Initio Surface Phase Diagrams for Coadsorption of Aromatics and Hydrogen on the Pt(111) Surface

DOE PAGES

Ferguson, Glen Allen; Vorotnikov, Vassili; Wunder, Nicholas; ...

2016-11-02

Supported metal catalysts are commonly used for the hydrogenation and deoxygenation of biomass-derived aromatic compounds in catalytic fast pyrolysis. To date, the substrate-adsorbate interactions under reaction conditions crucial to these processes remain poorly understood, yet understanding this is critical to constructing detailed mechanistic models of the reactions important to catalytic fast pyrolysis. Density functional theory (DFT) has been used in identifying mechanistic details, but many of these works assume surface models that are not representative of realistic conditions, for example, under which the surface is covered with some concentration of hydrogen and aromatic compounds. In this study, we investigate hydrogen-guaiacolmore » coadsorption on Pt(111) using van der Waals-corrected DFT and ab initio thermodynamics over a range of temperatures and pressures relevant to bio-oil upgrading. We find that relative coverage of hydrogen and guaiacol is strongly dependent on the temperature and pressure of the system. Under conditions relevant to ex situ catalytic fast pyrolysis (CFP; 620-730 K, 1-10 bar), guaiacol and hydrogen chemisorb to the surface with a submonolayer hydrogen (~0.44 ML H), while under conditions relevant to hydrotreating (470-580 K, 10-200 bar), the surface exhibits a full-monolayer hydrogen coverage with guaiacol physisorbed to the surface. These results correlate with experimentally observed selectivities, which show ring saturation to methoxycyclohexanol at hydrotreating conditions and deoxygenation to phenol at CFP-relevant conditions. Additionally, the vibrational energy of the adsorbates on the surface significantly contributes to surface energy at higher coverage. Ignoring this contribution results in not only quantitatively, but also qualitatively incorrect interpretation of coadsorption, shifting the phase boundaries by more than 200 K and ~10-20 bar and predicting no guaiacol adsorption under CFP and hydrotreating conditions. We discuss the implications of this work in the context of modeling hydrogenation and deoxygenation reactions on Pt(111), and we find that only the models representative of equilibrium surface coverage can capture the hydrogenation kinetics correctly. Lastly, as a major outcome of this work, we introduce a freely available web-based tool, dubbed the Surface Phase Explorer (SPE), which allows researchers to conveniently determine surface composition for any one- or two-component system at thermodynamic equilibrium over a wide range of temperatures and pressures on any crystalline surface using standard DFT output.« less

COSMIC-RAY-MEDIATED FORMATION OF BENZENE ON THE SURFACE OF SATURN'S MOON TITAN

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

Zhou Li; Zheng Weijun; Kaiser, Ralf I.

2010-08-01

The aromatic benzene molecule (C{sub 6}H{sub 6})-a central building block of polycyclic aromatic hydrocarbon molecules-is of crucial importance for the understanding of the organic chemistry of Saturn's largest moon, Titan. Here, we show via laboratory experiments and electronic structure calculations that the benzene molecule can be formed on Titan's surface in situ via non-equilibrium chemistry by cosmic-ray processing of low-temperature acetylene (C{sub 2}H{sub 2}) ices. The actual yield of benzene depends strongly on the surface coverage. We suggest that the cosmic-ray-mediated chemistry on Titan's surface could be the dominant source of benzene, i.e., a factor of at least two ordersmore » of magnitude higher compared to previously modeled precipitation rates, in those regions of the surface which have a high surface coverage of acetylene.« less

In situ spectroscopy of ligand exchange reactions at the surface of colloidal gold and silver nanoparticles

NASA Astrophysics Data System (ADS)

Dinkel, Rebecca; Peukert, Wolfgang; Braunschweig, Björn

2017-04-01

Gold and silver nanoparticles with their tunable optical and electronic properties are of great interest for a wide range of applications. Often the ligands at the surface of the nanoparticles have to be exchanged in a second step after particle formation in order to obtain a desired surface functionalization. For many techniques, this process is not accessible in situ. In this review, we present second-harmonic scattering (SHS) as an inherently surface sensitive and label-free optical technique to probe the ligand exchange at the surface of colloidal gold and silver nanoparticles in situ and in real time. First, a brief introduction to SHS and basic features of the SHS of nanoparticles are given. After that, we demonstrate how the SHS intensity decrease can be correlated to the thiol coverage which allows for the determination of the Gibbs free energy of adsorption and the surface coverage.

Understanding Practical Catalysts Using a Surface Science Approach. The Importance of Strong Interaction between BaO and Al 2O 3 in NO x Storage Materials

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

Yi, Cheol-Woo W.; Kwak, Ja Hun; Peden, Charles H.F.

2007-09-21

Modern surface science techniques have been commonly applied to understand issues arising from practical catalytic systems.[1-4] However, the applicability of most of the results obtained from model systems has been limited, due, primarily, to the vastly different conditions studies on model and practical systems are carried out (catalyst composition, reaction conditions etc.).[5, 6] Therefore, the need to conduct experiments on compositionally similar systems (model and practical) is necessary to obtain valuable information on the workings of real catalysts. In this communication we demonstrate the utility of surface science studies on model catalysts in understanding the properties of high surface area,more » BaO-based NO x storage-reduction (NSR) catalysts.[7] We present evidence for the facile formation of surface barium aluminate-like species even at very low coverages of BaO. This Ba-aluminate layer, however, can react with NO 2 resulting in the formation of a bulk-like Ba(NO 3) 2 phase. In order to construct model catalysts that are representative of the practical NO x storage systems, we first needed to estimate the BaO covareges on the high surface area catalysts. Since the publication of the work by Fanson et al.[8], BaO loadings of 8 – 10 wt.% on a γ-alumina support (200 m 2/g) have been regarded as corresponding to one monolayer (ML) coverage, based on the unit cell size of bulk BaO. The coverage equivalent of one ML, however, was significantly underestimated. Assuming complete spreading of the BaO layer and using a Ba–O distance of ~ 2.77 Å (one unit of BaO occupies 1.53 × 10 -19 m 2), 10 wt.% loading of BaO would cover only about 1/3 of the alumina surface. Table 1 shows our calculated estimates of two-dimensional BaO coverages as a function of loading on a -Al 2O 3 surface (200 m 2/g) based on the lattice parameters of bulk BaO[9] (5.54 Å). Based on these values, for our model system studies we prepared BaO/Al 2O 3/NiAl(110) materials in which the BaO coverages were very close to those of 4, 8, and 20 wt.% BaO/γ-Al 2O 3 high surface area catalysts used in prior studies.« less

The impact of surface composition on Tafel kinetics leading to enhanced electrochemical insertion of hydrogen in palladium

NASA Astrophysics Data System (ADS)

Dmitriyeva, Olga; Hamm, Steven C.; Knies, David L.; Cantwell, Richard; McConnell, Matt

2018-05-01

Our previous work experimentally demonstrated the enhancement of electrochemical hydrogen insertion into palladium by modifying the chemical composition of the cathode surface with Pb, Pt and Bi, referred to as surface promoters. The experiment demonstrated that an optimal combination of the surface promoters led to an increase in hydrogen fugacity of more than three orders of magnitude, while maintaining the same current density. This manuscript discusses the application of Density Functional Theory (DFT) to elucidate the thermodynamics and kinetics of observed enhancement of electrochemical hydrogen insertion into palladium. We present theoretical simulations that: (1) establish the elevation of hydrogen's chemical potential on Pb and Bi surfaces to enhance hydrogen insertion, (2) confirm the increase of a Tafel activation barrier that results in a decrease of the reaction rate at the given hydrogen overpotential, and (3) explain why the surface promoter's coverage needs to be non-uniform, namely to allow hydrogen insertion into palladium bulk while simultaneously locking hydrogen below the surface (the corking effect). The discussed DFT-based method can be used for efficient scanning of different material configurations to design a highly effective hydrogen storage system.

Surface diffusion of Sb on Ge(111) monitored quantitatively with optical second harmonic microscopy

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

Schultz, K.A.; Seebauer, E.G.

Surface diffusion of Sb on Ge(111) has been measured with the newly developed technique of optical second harmonic microscopy. In this method, concentration profiles at submonolayer coverage are imaged directly by surface second harmonic generation with 5 {mu} spatial resolution. A Boltzmann--Matano analysis yields the coverage dependence of the diffusivity {ital D} without parametrization. Experiments were performed at roughly 70% of the bulk melting temperature {ital T}{sub {ital m}}. In the coverage range 0{le}{theta}{le}0.6, the activation energy {ital E}{sub diff} remains constant at 47.5{plus minus}1.5 kcal/mol, but the pre-exponential factor {ital D}{sub 0} decreases from 8.7{times}10{sup 3{plus minus}0.4} to 1.6{times}10{supmore » 2{plus minus}0.4} cm{sup 2}/s. Both {ital E}{sub diff} and {ital D}{sub 0} are quite large, which is consistent with high-temperature measurements in other systems. The inadequacies of current theories for high-temperature surface diffusion are outlined, and a new vacancy model is proposed for low-coverage diffusion. The model accounts semiquantitatively for the large values of {ital E}{sub diff} and {ital D}{sub 0}, and suggests that these quantities may be manipulated using doping levels and photon illumination. An islanding mechanism is proposed to explain the decrease in {ital D}{sub 0} with {theta}.« less

Theoretical and experimental studies of hydrogen adsorption and desorption on Ir surfaces

DOE PAGES

Kaghazchi, Payam; Jacob, Timo; Chen, Wenhua; ...

2013-06-03

Here, we report adsorption and desorption of hydrogen on planar Ir(210) and faceted Ir(210), consisting of nanoscale {311} and (110) facets, by means of temperature programmed desorption (TPD) and density functional theory (DFT) in combination with the ab initio atomistic thermodynamics approach. TPD spectra show that only one H 2 peak is seen from planar Ir(210) at all coverages whereas a single H 2 peak is observed at around 440 K (F1) at fractional monolayer (ML) coverage and an additional H 2 peak appears at around 360 K (F2) at 1 ML coverage on faceted Ir(210), implying structure sensitivity inmore » recombination and desorption of hydrogen on faceted Ir(210) versus planar Ir(210), but no evidence is found for size effects in recombination and desorption of hydrogen on faceted Ir(210) for average facet sizes of 5-14 nm. Calculations indicate that H prefers to bind at the two-fold short-bridge sites of the Ir surfaces. In addition, we studied the stability of the Ir surfaces in the presence of hydrogen at different H coverages through surface free energy plots as a function of the chemical potential, which is also converted to a temperature scale. Moreover, the calculations revealed the origin of the two TPD peaks of H 2 from faceted Ir(210): F1 from desorption of H 2 on {311} facets while F2 from desorption of H 2 on (110) facets.« less

Understanding the pseudocapacitance of RuO2 from joint density functional theory

NASA Astrophysics Data System (ADS)

Zhan, Cheng; Jiang, De-en

2016-11-01

Pseudocapacitors have been experimentally studied for many years in electric energy storage. However, first principles understanding of the pseudocapacitive behavior is still not satisfactory due to the complexity involved in modeling electrochemistry. In this paper, we applied joint density functional theory (JDFT) to simulate the pseudocapacitive behavior of RuO2, a prototypical material, in a model electrolyte. We obtained from JDFT a capacitive curve which showed a redox peak position comparable to that in the experimental cyclic voltammetry (CV) curve. We found that the experimental turning point from double-layer to pseudocapacitive charge storage at low scan rates could be explained by the hydrogen adsorption at low coverage. As the electrode voltage becomes more negative, H coverage increases and causes the surface-structure change, leading to bended -OH bonds at the on-top oxygen atoms and large capacitance. This H coverage-dependent capacitance can explain the high pseudocapacitance of hydrous RuO2. Our work here provides a first principles understanding of the pseudocapacitance for RuO2 in particular and for transition-metal oxides in general.

Trends in Preventable Inpatient and Emergency Department Utilization in California Between 2012 and 2015: The Role of Health Insurance Coverage and Primary Care Supply.

PubMed

Cunningham, Peter; Sheng, Yaou

2018-06-01

Expansions of health insurance coverage tend to increase hospital emergency department (ED) utilization and inpatient admissions. However, provisions in the Affordable Care Act that expanded primary care supply were intended in part to offset the potential for increased hospital utilization. To examine the association between health insurance coverage, primary care supply, and ED and inpatient utilization, and to assess how both factors contributed to trends in utilization in California between 2012 and 2015. Population-based measures of ED and inpatient utilization, insurance coverage, and primary care supply were constructed for California counties for the years 2012 through 2015. Fixed effects regression analysis is used to examine the association between health insurance coverage, primary care supply, and rates of preventable ED and inpatient utilization. Higher levels of Medicaid coverage in a county are associated with higher levels of preventable ED and inpatient utilization, although greater numbers of primary care practitioners and Federally Qualified Health Centers reduce this type of utilization. Increases in coverage accelerated a long-term increase in ED visits and prevented an even larger decrease in inpatient admissions, but changes in coverage do not fully explain these underlying trends. Increases in primary care supply offset the effects of coverage changes only modestly. Policymakers should not overstate the impact of the Affordable Care Act on increasing ED visits, and should focus on better understanding the underlying factors that are driving the trends.

Bovine pericardium based non-cross linked collagen matrix for successful root coverage, a clinical study in human

PubMed Central

2012-01-01

Introduction The aim of this study was to clinically assess the capacity of a novel bovine pericardium based, non-cross linked collagen matrix in root coverage. Methods 62 gingival recessions of Miller class I or II were treated. The matrix was adapted underneath a coronal repositioned split thickness flap. Clinical values were assessed at baseline and after six months. Results The mean recession in each patient was 2.2 mm at baseline. 6 Months after surgery 86.7% of the exposed root surfaces were covered. On average 0,3 mm of recession remained. The clinical attachment level changed from 3.5 ± 1.3 mm to 1,8 ( ± 0,7) mm during the observational time period. No statistically significant difference was found in the difference of probing depth. An increase in the width of gingiva was significant. With a baseline value of 1.5 ± 0.9 mm an improvement of 2.4 ± 0.8 mm after six month could be observed. 40 out of 62 recessions were considered a thin biotype at baseline. After 6 months all 62 sites were assessed thick. Conclusions The results demonstrate the capacity of the bovine pericardium based non-cross linked collagen matrix for successful root coverage. This material was able to enhance gingival thickness and the width of keratinized gingiva. The percentage of root coverage achieved thereby is comparable to existing techniques. This method might contribute to an increase of patient's comfort and an enhanced aesthetical outcome. PMID:22390875

Adlayer structure dependent ultrafast desorption dynamics in carbon monoxide adsorbed on Pd (111)

NASA Astrophysics Data System (ADS)

Hong, Sung-Young; Xu, Pan; Camillone, Nina R.; White, Michael G.; Camillone, Nicholas

2016-07-01

We report our ultrafast photoinduced desorption investigation of the coverage dependence of substrate-adsorbate energy transfer in carbon monoxide adlayers on the (111) surface of palladium. As the CO coverage is increased, the adsorption site population shifts from all threefold hollows (up to 0.33 ML), to bridge and near bridge (>0.5 to 0.6 ML) and finally to mixed threefold hollow plus top site (at saturation at 0.75 ML). We show that between 0.24 and 0.75 ML this progression of binding site motifs is accompanied by two remarkable features in the ultrafast photoinduced desorption of the adsorbates: (i) the desorption probability increases roughly two orders magnitude, and (ii) the adsorbate-substrate energy transfer rate observed in two-pulse correlation experiments varies nonmonotonically, having a minimum at intermediate coverages. Simulations using a phenomenological model to describe the adsorbate-substrate energy transfer in terms of frictional coupling indicate that these features are consistent with an adsorption-site dependent electron-mediated energy coupling strength, ηel, that decreases with binding site in the order: three-fold hollow > bridge and near bridge > top site. This weakening of ηel largely counterbalances the decrease in the desorption activation energy that accompanies this progression of adsorption site motifs, moderating what would otherwise be a rise of several orders of magnitude in the desorption probability. Within this framework, the observed energy transfer rate enhancement at saturation coverage is due to interadsorbate energy transfer from the copopulation of molecules bound in three-fold hollows to their top-site neighbors.

Adlayer structure dependent ultrafast desorption dynamics in carbon monoxide adsorbed on Pd (111)

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

Hong, Sung -Young; Xu, Pan; Camillone, Nina R.

Here, we report our ultrafast photoinduced desorption investigation of the coverage dependence of substrate–adsorbate energy transfer in carbon monoxide adlayers on the (111) surface of palladium. As the CO coverage is increased, the adsorption site population shifts from all threefold hollows (up to 0.33 ML), to bridge and near bridge (>0.5 to 0.6 ML) and finally to mixed threefold hollow plus top site (at saturation at 0.75 ML). We show that between 0.24 and 0.75 ML this progression of binding site motifs is accompanied by two remarkable features in the ultrafast photoinduced desorption of the adsorbates: (i) the desorption probabilitymore » increases roughly two orders magnitude, and (ii) the adsorbate–substrate energy transfer rate observed in two-pulse correlation experiments varies nonmonotonically, having a minimum at intermediate coverages. Simulations using a phenomenological model to describe the adsorbate–substrate energy transfer in terms of frictional coupling indicate that these features are consistent with an adsorption-site dependent electron-mediated energy coupling strength, η el, that decreases with binding site in the order: three-fold hollow > bridge and near bridge > top site. This weakening of η el largely counterbalances the decrease in the desorption activation energy that accompanies this progression of adsorption site motifs, moderating what would otherwise be a rise of several orders of magnitude in the desorption probability. Within this framework, the observed energy transfer rate enhancement at saturation coverage is due to interadsorbate energy transfer from the copopulation of molecules bound in three-fold hollows to their top-site neighbors.« less

Adlayer structure dependent ultrafast desorption dynamics in carbon monoxide adsorbed on Pd (111)

DOE PAGES

Hong, Sung -Young; Xu, Pan; Camillone, Nina R.; ...

2016-07-01

Here, we report our ultrafast photoinduced desorption investigation of the coverage dependence of substrate–adsorbate energy transfer in carbon monoxide adlayers on the (111) surface of palladium. As the CO coverage is increased, the adsorption site population shifts from all threefold hollows (up to 0.33 ML), to bridge and near bridge (>0.5 to 0.6 ML) and finally to mixed threefold hollow plus top site (at saturation at 0.75 ML). We show that between 0.24 and 0.75 ML this progression of binding site motifs is accompanied by two remarkable features in the ultrafast photoinduced desorption of the adsorbates: (i) the desorption probabilitymore » increases roughly two orders magnitude, and (ii) the adsorbate–substrate energy transfer rate observed in two-pulse correlation experiments varies nonmonotonically, having a minimum at intermediate coverages. Simulations using a phenomenological model to describe the adsorbate–substrate energy transfer in terms of frictional coupling indicate that these features are consistent with an adsorption-site dependent electron-mediated energy coupling strength, η el, that decreases with binding site in the order: three-fold hollow > bridge and near bridge > top site. This weakening of η el largely counterbalances the decrease in the desorption activation energy that accompanies this progression of adsorption site motifs, moderating what would otherwise be a rise of several orders of magnitude in the desorption probability. Within this framework, the observed energy transfer rate enhancement at saturation coverage is due to interadsorbate energy transfer from the copopulation of molecules bound in three-fold hollows to their top-site neighbors.« less

Bovine pericardium based non-cross linked collagen matrix for successful root coverage, a clinical study in human.

PubMed

Schlee, Markus; Ghanaati, Shahram; Willershausen, Ines; Stimmlmayr, Michael; Sculean, Anton; Sader, Robert A

2012-03-05

The aim of this study was to clinically assess the capacity of a novel bovine pericardium based, non-cross linked collagen matrix in root coverage. 62 gingival recessions of Miller class I or II were treated. The matrix was adapted underneath a coronal repositioned split thickness flap. Clinical values were assessed at baseline and after six months. The mean recession in each patient was 2.2 mm at baseline. 6 Months after surgery 86.7% of the exposed root surfaces were covered. On average 0,3 mm of recession remained. The clinical attachment level changed from 3.5 ± 1.3 mm to 1,8 ( ± 0,7) mm during the observational time period. No statistically significant difference was found in the difference of probing depth. An increase in the width of gingiva was significant. With a baseline value of 1.5 ± 0.9 mm an improvement of 2.4 ± 0.8 mm after six month could be observed. 40 out of 62 recessions were considered a thin biotype at baseline. After 6 months all 62 sites were assessed thick. The results demonstrate the capacity of the bovine pericardium based non-cross linked collagen matrix for successful root coverage. This material was able to enhance gingival thickness and the width of keratinized gingiva. The percentage of root coverage achieved thereby is comparable to existing techniques. This method might contribute to an increase of patient's comfort and an enhanced aesthetical outcome. © 2012 Schlee et al; licensee BioMed Central Ltd.

Go Huygens!

NASA Image and Video Library

2005-01-11

This map illustrates the planned imaging coverage for the Descent Imager/Spectral Radiometer, onboard the European Space Agency's Huygens probe during the probe's descent toward Titan's surface on Jan. 14, 2005. The Descent Imager/Spectral Radiometer is one of two NASA instruments on the probe. The colored lines delineate regions that will be imaged at different resolutions as the probe descends. On each map, the site where Huygens is predicted to land is marked with a yellow dot. This area is in a boundary between dark and bright regions. This map was made from the images taken by the Cassini spacecraft cameras on Oct. 26, 2004, at image scales of 4 to 6 kilometers (2.5 to 3.7 miles) per pixel. The images were obtained using a narrow band filter centered at 938 nanometers -- a near-infrared wavelength (invisible to the human eye) at which light can penetrate Titan's atmosphere to reach the surface and return through the atmosphere to be detected by the camera. The images have been processed to enhance surface details. Only brightness variations on Titan's surface are seen; the illumination is such that there is no shading due to topographic variations. For about two hours, the probe will fall by parachute from an altitude of 160 kilometers (99 miles) to Titan's surface. During the descent the camera on the probe and five other science instruments will send data about the moon's atmosphere and surface back to the Cassini spacecraft for relay to Earth. The Descent Imager/Spectral Radiometer will take pictures as the probe slowly spins, and some these will be made into panoramic views of Titan's surface. This map shows the planned coverage by the medium- and high-resolution. PIA06173 shows expected coverage by the Descent Imager/Spectral Radiometer side-looking imager and two downward-looking imagers - one providing medium-resolution and the other high-resolution coverage. http://photojournal.jpl.nasa.gov/catalog/PIA06173

Reductive dechlorination of trichloroethylene by iron bimetallics

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

Orth, R.G.; Dauda, T.; McKenzie, D.E.

1998-07-01

Reductive dechlorination using a zero valence metal such as iron has seen an increase in interest with the extension of iron dechlorination to in-situ treatment of ground water. Studies to increase the rate of dechlorination and the long term stability have lead many to examine the use of bimetallic iron systems. Results are shown for bimetallic iron systems of Cu, Sn, Ni, Ag, Au, and Pd. All of these bimetallic couples form a galvanic couple which increase corrosion rates and the production of hydrogen. Increased rates of reaction normalized to surface area were observed for all the couples. The reactionmore » rates were found to depended on surface area and surface coverage of the iron. The results of studies in deuterium oxide indicate that the pathways changed as the bimetallic is changed and that the pathway in all cases could be a combination of dehydrohalgenation and sequential dechlorination. Degradation of DNAPL TCE by iron was found to be zero order and the type of product observed was different from that observed for TCE dissolved in water.« less

New measurements of the sticking coefficient and binding energy of molecules on non-porous amorphous solid water in the submonolayer regime

NASA Astrophysics Data System (ADS)

He, Jiao; Acharyya, Kinsuk; Emtiaz, S. M.; Vidali, Gianfranco

2016-06-01

Sticking and adsorption of molecules on dust grains are two important processes in gas-grain interactions. We accurately measured both the sticking coefficient and the binding energy of several key molecules on the surface of amorphous solid water as a function of coverage.A time-resolved scattering technique was used to measure sticking coefficient of H2, D2, N2, O2, CO, CH4, and CO2 on non-porous amorphous solid water (np-ASW) in the low coverage limit over a wide range of surface temperatures. We found that the time-resolved scattering technique is advantageous over the conventional King-Wells method that underestimates the sticking coefficient. Based on the measured values we suggest a useful general formula of the sticking coefficient as a function of grain temperature and molecule-surface binding energy.We measured the binding energy of N2, CO, O2, CH4, and CO2 on np-ASW, and of N2 and CO on porous amorphous solid water (p-ASW). We were able to measure binding energies down to a fraction of 1% of a layer, thus making these measurements more appropriate for astrochemistry than the existing values. We found that CO2 forms clusters on np-ASW surface even at very low coverage; this may help in explaining the segregation of CO2 in ices. The binding energies of N2, CO, O2, and CH4 on np-ASW decrease with coverage in the submonolayer regime. Their values in the low coverage limit are much higher than what is commonly used in gas-grain models. An empirical formula was used to describe the coverage dependence of the binding energies. We used the newly determined binding energy distributions in a simulation of gas-grain chemistry for cold dense clouds and hot core models. We found that owing to the higher value of desorption energy in the sub-monlayer regime a fraction of all these ices stays much longer and to higher temperature on the grain surface compared to the case using single value energies as currently done in astrochemical models.This work was supported in part by a grant to GV from NSF --- Astronomy & Astrophysics Division (#1311958)

Estimating Morning Change in Land Surface Temperature from MODIS Day/Night Observations: Applications for Surface Energy Balance Modeling.

PubMed

Hain, Christopher R; Anderson, Martha C

2017-10-16

Observations of land surface temperature (LST) are crucial for the monitoring of surface energy fluxes from satellite. Methods that require high temporal resolution LST observations (e.g., from geostationary orbit) can be difficult to apply globally because several geostationary sensors are required to attain near-global coverage (60°N to 60°S). While these LST observations are available from polar-orbiting sensors, providing global coverage at higher spatial resolutions, the temporal sampling (twice daily observations) can pose significant limitations. For example, the Atmosphere Land Exchange Inverse (ALEXI) surface energy balance model, used for monitoring evapotranspiration and drought, requires an observation of the morning change in LST - a quantity not directly observable from polar-orbiting sensors. Therefore, we have developed and evaluated a data-mining approach to estimate the mid-morning rise in LST from a single sensor (2 observations per day) of LST from the Moderate Resolution Imaging Spectroradiometer (MODIS) sensor on the Aqua platform. In general, the data-mining approach produced estimates with low relative error (5 to 10%) and statistically significant correlations when compared against geostationary observations. This approach will facilitate global, near real-time applications of ALEXI at higher spatial and temporal coverage from a single sensor than currently achievable with current geostationary datasets.

The Sapphire (0001) Surface, Clean and with d-metal Overlayers: Density Functional - LDA Results

NASA Astrophysics Data System (ADS)

Verdozzi, C.; Jennison, D. R.; Schultz, P. A.; Sears, M. P.

1998-03-01

Previous theoretical work for the a-Al2O3(0001) surface mostly used very thin slabs, and limited theoretical information is available on the binding of metal overlayers. Also, no systematic information is available about the dependence of the metal-ceramic interaction on metal coverage. We present here results using the local density approximation for the structural and electronic properties of the a-Al2O3(0001) surface, with and without d-metal overlayers Pt, Ag, Cu, and with sufficiently thick slabs to find the bottom of the unusually large and deep surface relaxation in this material. Our thick slab site-optimized calculations are performed for 1, 2/3 and 1/3 monolayer (ML) coverage. The adhesion energy and the nature of the interfacial bond vary greatly with metal coverage and can be understood in terms of the relative roles of the surface Madelung potential and the strength of the lateral metal-metal bond. Our study should in principle succeed in bracketing the phenomenology of adhesion and wetting at least for the right-most part of the d-metal periodic table. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy under Contract DE-AC04-94AL85000. Corresponding author: claudio@sandia.gov.

Reducing the biases in simulated polar climate by incorporating realistic surface spectral emissivity into the global climate model

NASA Astrophysics Data System (ADS)

Huang, X.; Chen, X.; Flanner, M.; Yang, P.; Feldman, D.; Kuo, C.

2017-12-01

Surface longwave emissivity can be less than unity and vary significantly with frequency. The emissivities of water, ice, and bare land all exhibit different spectral dependence, for both the far-IR and mid-IR bands. However, most climate models still assume blackbody surface in the longwave (LW) radiation scheme of their atmospheric modules. This study incorporates realistic surface spectral emissivity into the RRTMG_LW, the LW radiation scheme in CAM, which is the atmospheric component of the NCAR Community Earth System Model (CESM) version 1.1.1. Then we evaluate its impact on simulated climatology, especially for the polar regions. By ensuring the consistency of the broadband longwave flux across different modules of the CESM, the TOA energy balance in the simulation can be attained without additional tuning of the model. While the impact on global mean surface temperature is small, the surface temperature differences in Polar Regions are statistically significant. The mean surface temperature in Arctic in the modified CESM is 1.5K warmer than that in the standard CESM, reducing the cold bias that the standard CESM has with respect to observations. Accordingly the sea ice fraction in the modified CESM simulation is less than that in the standard CESM simulation by as much as 0.1, which significantly reduces the positive biases in the simulated sea ice coverage by the CESM. The largest sea-ice coverage difference happens in August and September, when new sea ice starts to form. The similar changes can be seen for the simulated Antarctic surface climate as well. In a nutshell, incorporating realistic surface spectral emissivity helps improving the fidelity of simulated surface energy budget in the polar region, which leads to a better simulation of the surface temperature and sea ice coverage.

Energetics of Mg incorporation at GaN(0001) and GaN(0001¯) surfaces

NASA Astrophysics Data System (ADS)

Sun, Qiang; Selloni, Annabella; Myers, T. H.; Doolittle, W. Alan

2006-04-01

By using density functional calculations in the generalized gradient approximation, we investigate the energetics of Mg adsorption and incorporation at GaN(0001) and GaN(0001¯) surfaces under various Ga and Mg coverage conditions as well as in presence of light or electron beam-induced electronic excitation. We find significant differences in Mg incorporation between Ga- and N-polar surfaces. Mg incorporation is easier at the Ga-polar surface, but high Mg coverages are found to cause important distortions which locally change the polarity from Ga to N polar. At the N-rich and moderately Ga-rich GaN(0001) surface, 0.25 ML of Mg substituting Ga in the top bilayer strongly reduce the surface diffusion barriers of Ga and N adatoms, in agreement with the surfactant effect observed in experiments. As the Mg coverage exceeds 0.5 ML, partial incorporation in the subsurface region (second bilayer) becomes favorable. A surface structure with 0.5 ML of incorporated Mg in the top bilayer and 0.25 ML in the second bilayer is found to be stable over a wide range of Ga chemical potential. At the Ga bilayer-terminated GaN(0001) surface, corresponding to Ga-rich conditions, configurations where Mg is incorporated in the interface region between the metallic Ga bilayer and the underlying GaN bilayer appear to be favored. At the N-polar surface, Mg is not incorporated under N-rich or moderately Ga-rich conditions, whereas incorporation in the adlayer may take place under Ga-rich conditions. In the presence of light or electron beam induced excitation, energy differences between Mg incorporated at the surface and in deeper layers are reduced so that the tendency toward surface segregation is also reduced.

Diffusion of hydrogen interstitials in the near-surface region of Pd(111) under the influence of surface coverage and external static electric fields

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

Blanco-Rey, M.; Donostia International Physics Center; Tremblay, J. C.

2015-04-21

Past scanning tunneling microscopy (STM) experiments of H manipulation on Pd(111), at low temperature, have shown that it is possible to induce diffusion of surface species as well as of those deeply buried under the surface. Several questions remain open regarding the role of subsurface site occupancies. In the present work, the interaction potential of H atoms with Pd(111) under various H coverage conditions is determined by means of density functional theory calculations in order to provide an answer to two of these questions: (i) whether subsurface sites are the final locations for the H impurities that attempt to emergemore » from bulk regions, and (ii) whether penetration of the surface is a competing route of on-surface diffusion during depletion of surface H on densely covered Pd(111). We find that a high H coverage has the effect of blocking resurfacing of H atoms travelling from below, which would otherwise reach the surface fcc sites, but it hardly alters deeper diffusion energy barriers. Penetration is unlikely and restricted to high occupancies of hcp hollows. In agreement with experiments, the Pd lattice expands vertically as a consequence of H atoms being blocked at subsurface sites, and surface H enhances this expansion. STM tip effects are included in the calculations self-consistently as an external static electric field. The main contribution to the induced surface electric dipoles originates from the Pd substrate polarisability. We find that the electric field has a non-negligible effect on the H-Pd potential in the vicinity of the topmost Pd atomic layer, yet typical STM intensities of 1-2 VÅ{sup −1} are insufficient to invert the stabilities of the surface and subsurface equilibrium sites.« less

Dissolution at porous interfaces VI: Multiple pore systems.

PubMed

Grijseels, H; Crommelin, D J; De Blaey, C J

1984-12-01

With the aid of rapidly dissolving sodium chloride particles, cubic pores were made in the surface of a theophylline tablet. The influence of the pores on the dissolution rate of the surface was investigated in a rotating disk apparatus. Like the drilled pores used in earlier studies, downstream on the surface they caused a turbulent flow regimen with the development of a trough due to enhanced erosion. The phenomenon of a critical pore diameter, discovered with single, drilled pores, seems to be applicable to the cubic pores investigated in this study, although a higher degree of surface coverage with pores caused complications, probably due to particles bordering one another and forming larger pores. The behavior of the porous surfaces at different rotation speeds was studied. Due to the presence of pores the laminar character of the boundary layer flow changes to turbulent, which induces locally an increased dissolution flux in the wake of a pore.

Optical response from lenslike semiconductor nipple arrays

NASA Astrophysics Data System (ADS)

Wu, H.-M.; Lai, C.-M.; Peng, L.-H.

2008-11-01

The authors reported the use of recessive size reduction in self-assembled polystyrene sphere mask with anisotropic etching to form lenslike nipple arrays onto the surface of silicon and gallium nitride. These devices are shown to exhibit a filling factor near to an ideal close-packed condition and paraboloidlike etch profile with slope increased proportionally to the device aspect ratio. Specular reflectivity of less than 3% was observed over the visible spectral range for the 0.35-μm-period nipple-lens arrays. Using two-dimensional rigorous coupled-wave analysis, the latter phenomenon can be ascribed to a gradual index matching mechanism accessed by a high surface-coverage semiconductor nipple array structure.

Analysis of aeromedical retrieval coverage using elliptical isochrones: An evaluation of helicopter fleet size configurations in Scotland.

PubMed

Dodds, Naomi; Emerson, Philip; Phillips, Stephanie; Green, David R; Jansen, Jan O

2017-03-01

Trauma systems in remote and rural regions often rely on helicopter emergency medical services to facilitate access to definitive care. The siting of such resources is key, but often relies on simplistic modeling of coverage, using circular isochrones. Scotland is in the process of implementing a national trauma network, and there have been calls for an expansion of aeromedical retrieval capacity. The aim of this study was to analyze population and area coverage of the current retrieval service configuration, with three aircraft, and a configuration with an additional helicopter, in the North East of Scotland, using a novel methodology. Both overall coverage and coverage by physician-staffed aircraft, with enhanced clinical capability, were analyzed. This was a geographical analysis based on calculation of elliptical isochrones, which consider the "open-jaw" configuration of many retrieval flights. Helicopters are not always based at hospitals. We modeled coverage based on different outbound and inbound flights. Areally referenced population data were obtained from the Scottish Government. The current helicopter network configuration provides 94.2% population coverage and 59.0% area coverage. The addition of a fourth helicopter would marginally increase population coverage to 94.4% and area coverage to 59.1%. However, when considering only physician-manned aircraft, the current configuration provides only 71.7% population coverage and 29.4% area coverage, which would be increased to 91.1% and 51.2%, respectively, with a second aircraft. Scotland's current helicopter network configuration provides good population coverage for retrievals to major trauma centers, which would only be increased minimally by the addition of a fourth aircraft in the North East. The coverage provided by the single physician-staffed aircraft is more limited, however, and would be increased considerably by a second physician-staffed aircraft in the North East. Elliptical isochrones provide a useful means of modeling "open-jaw" retrieval missions and provide a more realistic estimate of coverage. Epidemiological study, level IV; therapeutic study, level IV.

The Impact of the Affordable Care Act's Dependent Coverage Mandate on Use of Dental Treatments and Preventive Services.

PubMed

Shane, Dan M; Wehby, George L

2017-09-01

Oral health problems are the leading chronic conditions among children and younger adults. Lack of dental coverage is thought to be an important barrier to care but little empirical evidence exists on the causal effect of private dental coverage on use of dental services. We explore the relationship between dental coverage and dental services utilization with an analysis of a natural experiment of increasing private dental coverage stemming from the Affordable Care Act's (ACA)-dependent coverage mandate. To evaluate whether increased private dental insurance due to the spillover effect of the ACA-dependent coverage health insurance mandate affected utilization of dental services among a group of affected young adults. 2006-2013 Medical Expenditure Panel Surveys. We used a difference-in-difference regression approach comparing changes in dental care utilization for 25-year olds affected by the policy to unaffected 27-year olds. We evaluate effects on dental treatments and preventive services RESULTS:: Compared to 27-year olds, 25-year olds were 8 percentage points more likely to have private dental coverage in the 3 years following the mandate. We do not find compelling evidence that young adults increased their use of preventive dental services in response to gaining insurance. We do find a nearly 5 percentage point increase in the likelihood of dental treatments among 25-year olds following the mandate, an effect that appears concentrated among women. Increases in private dental coverage due to the ACA's-dependent coverage mandate do not appear to be driving significant changes in overall preventive dental services utilization but there is evidence of an increase in restorative care.

Whitecaps, sea-salt aerosols, and climate

NASA Astrophysics Data System (ADS)

Anguelova, Magdalena Dimitrova

Oceanic whitecaps are the major source of sea-salt aerosols. Because these aerosols are dominant in remote marine air, they control the radiative properties of the clean background atmosphere by scattering sunlight, changing cloud properties and lifetime, and providing media for chemical reactions. Including sea-salt effects in climate models improves predictions, but simulating their generation is first necessary. To make the sea-salt generation function currently used in climate models more relevant for aerosol investigations, this study proposes two modifications. First, the conventional relation between whitecap coverage, W, and the 10-meter wind speed, U10, used in typical generation functions is expanded to include additional factors that affect whitecaps and sea-salt aerosol formation. Second, the sea-salt generation function is extended to smaller sizes; sea-salt aerosol with initial radii from 0.4 to 20 mum can now be modeled. To achieve these goals, this thesis develops a new method for estimating whitecap coverage on a global scale using satellite measurements of the brightness temperature of the ocean surface. Whitecap coverage evaluated with this method incorporates the effects of atmospheric stability, sea-surface temperature, salinity, wind fetch, wind duration, and the amount of surface-active material. Assimilating satellite-derived values for whitecap coverage in the sea-salt generation function incorporates the effects of all environmental factors on sea-salt production and predicts realistic sea-salt aerosol loadings into the atmosphere. An extensive database of whitecap coverage and sea-salt aerosol fluxes has been compiled with the new method and is used to investigate their spatial and temporal characteristics. The composite effect of all environmental factors suggests a more uniform latitudinal distribution of whitecaps and sea-salt aerosols than that predicted from wind speed alone. The effect of sea-surface temperature, TS, is parameterized for the first time using regression analysis. The resulting parameterization W( U10, TS) is a better predictor of whitecap coverage than the conventional W(U 10) relation. This thesis also considers the contribution of oceanic whitecaps to ocean albedo and CO2 transfer and evaluates the direct effect of sea-salt aerosols on climate, the sea-salt contribution to CCN formation, and the role of sea-salt aerosols in atmospheric chemistry.

Sub-epithelial connective tissue graft for root coverage in nonsmokers and smokers: A pilot comparative clinical study

PubMed Central

Dwarakanath, Chini Doraswamy; Divya, Bheemavarapu; Sruthima, Gottumukkala Naga Venkata Satya; Penmetsa, Gautami Subadra

2016-01-01

Background: Gingival recession is a common condition and is more prevalent in smokers. It is widely believed that root coverage procedures in smokers result in less desirable outcome compared to nonsmokers', and there are few controlled studies in literature to support this finding. Therefore, the purpose of this study was to evaluate and compare the outcome of root coverage with sub-epithelial connective tissue graft (SCTG) in nonsmokers and smokers. Materials and Methods: A sample of twenty subjects, 10 nonsmokers and 10 smokers were selected each with at least 1 Miller's Class I or II recession on a single rooted tooth. Clinical measurements of probing depth, clinical attachment level (CAL), gingival recession total surface area (GRTSA), depth of recession (RD), width of recession (RW), and width of keratinized tissue were determined at baseline, 3, and 6 months after surgery. Results: The treatment of gingival recession with SCTG and coronally advanced flap showed a decrease in the GRTSA, RD, RW, and an increase in CAL and width of keratinized gingiva in both the groups. However, the intergroup comparison of the clinical parameters showed no statistical significance. About 6 out of 10 nonsmokers (60%) and 3 smokers (30%) showed complete root coverage. The mean percentage of root coverage of 71.2% in nonsmokers and 38% in smokers was observed. Conclusion: The results of the present study suggest that smoking may negatively influence gingival recession reduction and CAL gain. In addition, smokers may exhibit fewer chances of complete root coverage. Overall, nonsmokers showed better improvements in all the parameters compared to smokers at the end of 6 months. PMID:28298827

RNA-seq: technical variability and sampling

PubMed Central

2011-01-01

Background RNA-seq is revolutionizing the way we study transcriptomes. mRNA can be surveyed without prior knowledge of gene transcripts. Alternative splicing of transcript isoforms and the identification of previously unknown exons are being reported. Initial reports of differences in exon usage, and splicing between samples as well as quantitative differences among samples are beginning to surface. Biological variation has been reported to be larger than technical variation. In addition, technical variation has been reported to be in line with expectations due to random sampling. However, strategies for dealing with technical variation will differ depending on the magnitude. The size of technical variance, and the role of sampling are examined in this manuscript. Results In this study three independent Solexa/Illumina experiments containing technical replicates are analyzed. When coverage is low, large disagreements between technical replicates are apparent. Exon detection between technical replicates is highly variable when the coverage is less than 5 reads per nucleotide and estimates of gene expression are more likely to disagree when coverage is low. Although large disagreements in the estimates of expression are observed at all levels of coverage. Conclusions Technical variability is too high to ignore. Technical variability results in inconsistent detection of exons at low levels of coverage. Further, the estimate of the relative abundance of a transcript can substantially disagree, even when coverage levels are high. This may be due to the low sampling fraction and if so, it will persist as an issue needing to be addressed in experimental design even as the next wave of technology produces larger numbers of reads. We provide practical recommendations for dealing with the technical variability, without dramatic cost increases. PMID:21645359

A first principles kinetic Monte Carlo investigation of the adsorption and mobility of gadolinium on the (100) surface of tungsten

NASA Astrophysics Data System (ADS)

Samin, Adib J.; Zhang, Jinsuo

2017-05-01

An accurate characterization of lanthanide adsorption and mobility on tungsten surfaces is important for pyroprocessing. In the present study, the adsorption and diffusion of gadolinium on the (100) surface of tungsten was investigated. It was found that the hollow sites were the most energetically favorable for the adsorption. It was further observed that a magnetic moment was induced following the adsorption of gadolinium on the tungsten surface and that the system with adsorbed hollow sites had the largest magnetization. A pathway for the surface diffusion of gadolinium was determined to occur by hopping between the nearest neighbor hollow sites via the bridge site and the activation energy for the hop was calculated to be 0.75 eV. The surface diffusion process was further assessed using two distinct kinetic Monte Carlo models; one that accounted for lateral adsorbate interactions up to the second nearest neighbor and one that did not account for such interatomic interactions in the adlayer. When the lateral interactions were included in the simulations, the diffusivity was observed to have a strong dependence on coverage (for the coverage values being studied). The effects of lateral interactions were further observed in a one-dimensional simulation of the diffusion equation where the asymmetry in the surface coverage profile upon its approach to a steady state distribution was clear in comparison with the simulations which did not account for those interactions.

A high-coverage nanoparticle monolayer for the fabrication of a subwavelength structure on InP substrates.

PubMed

Kim, Dae-Seon; Park, Min-Su; Jang, Jae-Hyung

2011-08-01

Subwavelength structures (SWSs) were fabricated on the Indium Phosphide (InP) substrate by utilizing the confined convective self-assembly (CCSA) method followed by reactive ion etching (RIE). The surface condition of the InP substrate was changed by depositing a 30-nm-thick SiO2 layer and subsequently treating the surface with O2 plasma to achieve better surface coverage. The surface coverage of nanoparticle monolayer reached 90% by using O2 plasma-treated SiO2/InP substrate among three kinds of starting substrates such as the bare InP, SiO2/InP and O2 plasma-treated SiO2/InP substrate. A nanoparticle monolayer consisting of polystyrene spheres with diameter of 300 nm was used as an etch mask for transferring a two-dimensional periodic pattern onto the InP substrate. The fabricated conical SWS with an aspect ratio of 1.25 on the O2 plasma-treated SiO2/InP substrate exhibited the lowest reflectance. The average reflectance of the conical SWS was 5.84% in a spectral range between 200 and 900 nm under the normal incident angle.

Effects of surface structural disorder and surface coverage on isotopic fractionation during Zn(II) adsorption onto quartz and amorphous silica surfaces

DOE PAGES

Nelson, Joey; Wasylenki, Laura; Bargar, John R.; ...

2017-08-05

Metal ion-mineral surface interactions and the attendant isotopic fractionation depend on the properties of the mineral surface and the local atomic-level chemical environment. Furthermore, these factors have not been systematically examined for phases of the same composition with different levels of surface disorder.

Effects of surface structural disorder and surface coverage on isotopic fractionation during Zn(II) adsorption onto quartz and amorphous silica surfaces

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

Nelson, Joey; Wasylenki, Laura; Bargar, John R.

Metal ion-mineral surface interactions and the attendant isotopic fractionation depend on the properties of the mineral surface and the local atomic-level chemical environment. Furthermore, these factors have not been systematically examined for phases of the same composition with different levels of surface disorder.

Validation of Satellite Retrieved Land Surface Variables

NASA Technical Reports Server (NTRS)

Lakshmi, Venkataraman; Susskind, Joel

1999-01-01

The effective use of satellite observations of the land surface is limited by the lack of high spatial resolution ground data sets for validation of satellite products. Recent large scale field experiments include FIFE, HAPEX-Sahel and BOREAS which provide us with data sets that have large spatial coverage and long time coverage. It is the objective of this paper to characterize the difference between the satellite estimates and the ground observations. This study and others along similar lines will help us in utilization of satellite retrieved data in large scale modeling studies.

Nanopatterning of magnetic domains: Fe coverage of self-assembled alumina nanostructure

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

Wu, Qibin; Wang, Bo -Yao; Lin, Wen -Chin

2015-08-19

Nanosized ultrathin magnetic films were prepared by controlling the deposition of Fe onto an oxidized NiAl(001) surface with an alumina nanostructure on it. Because the ultrathin ferromagnetic Fe films on the bare NiAl(001) surface are separated by paramagnetic Fe nanoparticles on the alumina stripes, as determined by scanning electron microscopy with spin analysis, they form rectangular domains with sizes ranging from tens of nanometer to larger than a micrometer. Furthermore, magnetic domain patterning can thus be achieved by controlling the Fe coverage and nanostructured template.

Asphaltene-laden interfaces form soft glassy layers in contraction experiments: a mechanism for coalescence blocking.

PubMed

Pauchard, Vincent; Rane, Jayant P; Banerjee, Sanjoy

2014-11-04

In previous studies, the adsorption kinetics of asphaltenes at the water-oil interface were interpreted utilizing a Langmuir equation of state (EOS) based on droplet expansion experiments.1-3 Long-term adsorption kinetics followed random sequential adsorption (RSA) theory predictions, asymptotically reaching ∼85% limiting surface coverage, which is similar to limiting random 2D close packing of disks. To extend this work beyond this slow adsorption process, we performed rapid contractions and contraction-expansions of asphaltene-laden interfaces using the pendant drop experiment to emulate a Langmuir trough. This simulates the rapid increase in interfacial asphaltene concentration that occurs during coalescence events. For the contraction of droplets aged in asphaltene solutions, deviation from the EOS consistently occurs at a surface pressure value ∼21 mN/m corresponding to a surface coverage ∼80%. At this point droplets lose the shape required for validity of the Laplace-Young equation, indicating solidlike surface behavior. On further contraction wrinkles appear, which disappear when the droplet is held at constant volume. Surface pressure also decreases down to an equilibrium value near that measured for slow adsorption experiments. This behavior appears to be due to a transition to a glassy interface on contraction past the packing limit, followed by relaxation toward equilibrium by desorption at constant volume. This hypothesis is supported by cycling experiments around the close-packed limit where the transition to and from a solidlike state appears to be both fast and reversible, with little hysteresis. Also, the soft glass rheology model of Sollich is shown to capture previously reported shear behavior during adsorption. The results suggest that the mechanism by which asphaltenes stabilize water-in-oil emulsions is by blocking coalescence due to rapid formation of a glassy interface, in turn caused by interfacial asphaltenes rapidly increasing in concentration beyond the glass transition point.

The Effects of Noncellulosic Compounds on the Nanoscale Interaction Forces Measured between Carbohydrate-Binding Module and Lignocellulosic Biomass.

PubMed

Arslan, Baran; Colpan, Mert; Ju, Xiaohui; Zhang, Xiao; Kostyukova, Alla; Abu-Lail, Nehal I

2016-05-09

The lack of fundamental understanding of the types of forces that govern how cellulose-degrading enzymes interact with cellulosic and noncellulosic components of lignocellulosic surfaces limits the design of new strategies for efficient conversion of biomass to bioethanol. In a step to improve our fundamental understanding of such interactions, nanoscale forces acting between a model cellulase-a carbohydrate-binding module (CBM) of cellobiohydrolase I (CBH I)-and a set of lignocellulosic substrates with controlled composition were measured using atomic force microscopy (AFM). The three model substrates investigated were kraft (KP), sulfite (SP), and organosolv (OPP) pulped substrates. These substrates varied in their surface lignin coverage, lignin type, and xylan and acetone extractives' content. Our results indicated that the overall adhesion forces of biomass to CBM increased linearly with surface lignin coverage with kraft lignin showing the highest forces among lignin types investigated. When the overall adhesion forces were decoupled into specific and nonspecific component forces via the Poisson statistical model, hydrophobic and Lifshitz-van der Waals (LW) forces dominated the binding forces of CBM to kraft lignin, whereas permanent dipole-dipole interactions and electrostatic forces facilitated the interactions of lignosulfonates to CBM. Xylan and acetone extractives' content increased the attractive forces between CBM and lignin-free substrates, most likely through hydrogen bonding forces. When the substrates treated differently were compared, it was found that both the differences in specific and nonspecific forces between lignin-containing and lignin-free substrates were the least for OPP. Therefore, cellulase enzymes represented by CBM would weakly bind to organosolv lignin. This will facilitate an easy enzyme recovery compared to other substrates treated with kraft or sulfite pulping. Our results also suggest that altering the surface hydrophobicity and the surface energy of lignin that facilitates the LW forces should be a priori to avoid nonproductive binding of cellulase to kraft lignin.

In situ assessment of the contact angles of nanoparticles adsorbed at fluid interfaces by multiple angle of incidence ellipsometry.

PubMed

Stocco, Antonio; Su, Ge; Nobili, Maurizio; In, Martin; Wang, Dayang

2014-09-28

Here multiple angle of incidence ellipsometry was successfully applied to in situ assess the contact angle and surface coverage of gold nanoparticles as small as 18 nm, coated with stimuli-responsive polymers, at water-oil and water-air interfaces in the presence of NaCl and NaOH, respectively. The interfacial adsorption of the nanoparticles was found to be very slow and took days to reach a fairly low surface coverage. For water-oil interfaces, in situ nanoparticle contact angles agree with the macroscopic equilibrium contact angles of planar gold surfaces with the same polymer coatings, whilst for water-air interfaces, significant differences have been observed.

Vestibular deepening by periosteal fenestration and its use as a periosteal pedicle flap for root coverage

PubMed Central

Rajpal, Jaisika; Gupta, Krishna K.; Srivastava, Ruchi; Arora, Aakash

2013-01-01

Gingival recession along with reduced width of attached gingiva and inadequate vestibular depth is a very common finding. Multiple techniques have been developed to obtain predictable root coverage and to increase the width of attached gingiva. Usually, the width of gingiva is first increased and then the second surgery is caried out for root coverage. The newer methods of root coverage are needed, not only to reconstruct the lost periodontal tissues but also to increase predictability, reduce the number of surgical sites, reduce the number of surgeries and improve patient comfort. Hence, this paper describes a single stage technique for increasing the width of attached gingiva and root coverage by using the periosteal pedicle flap. PMID:23869140

Microscale soil structure development after glacial retreat - using machine-learning based segmentation of elemental distributions obtained by NanoSIMS

NASA Astrophysics Data System (ADS)

Schweizer, Steffen; Schlueter, Steffen; Hoeschen, Carmen; Koegel-Knabner, Ingrid; Mueller, Carsten W.

2017-04-01

Soil organic matter (SOM) is distributed on mineral surfaces depending on physicochemical soil properties that vary at the submicron scale. Nanoscale secondary ion mass spectrometry (NanoSIMS) can be used to visualize the spatial distribution of up to seven elements simultaneously at a lateral resolution of approximately 100 nm from which patterns of SOM coatings can be derived. Existing computational methods are mostly confined to visualization and lack spatial quantification measures of coverage and connectivity of organic matter coatings. This study proposes a methodology for the spatial analysis of SOM coatings based on supervised pixel classification and automatic image analysis of the 12C, 12C14N (indicative for SOM) and 16O (indicative for mineral surfaces) secondary ion distributions. The image segmentation of the secondary ion distributions into mineral particle surface and organic coating was done with a machine learning algorithm, which accounts for multiple features like size, color, intensity, edge and texture in all three ion distributions simultaneously. Our workflow allowed the spatial analysis of differences in the SOM coverage during soil development in the Damma glacier forefield (Switzerland) based on NanoSIMS measurements (n=121; containing ca. 4000 particles). The Damma chronosequence comprises several stages of soil development with increasing ice-free period (from ca. 15 to >700 years). To investigate mineral-associated SOM in the developing soil we obtained clay fractions (<2 μm) from two density fractions: light mineral (1.6 to 2.2 g cm3) and heavy mineral (>2.2 g cm3). We found increased coverage and a simultaneous development from patchy-distributed organic coatings to more connected coatings with increasing time after glacial retreat. The normalized N:C ratio (12C14N: (12C14N + 12C)) on the organic matter coatings was higher in the medium-aged soils than in the young and mature ones in both heavy and light mineral fraction. This reflects the sequential accumulation of proteinaceous SOM in the medium-aged soils and C-rich compounds in the mature soils. The results of our microscale image analysis correlated well with the SOM concentration of the fractions measured by elemental analyzer. Image analysis in combination with secondary ion distributions provides a powerful tool at the required microscale and enhances our mechanistic understanding of SOM stabilization in soil.

Effects of the conjugation of whey proteins with gellan polysaccharides on surfactant-induced competitive displacement from the air-water interface.

PubMed

Cai, B; Ikeda, S

2016-08-01

Whey proteins can be used to stabilize foams and emulsions against coalescence because of their ability to form viscoelastic films at the interface that resist film rupture on collision between colloidal particles. However, whey proteins are competitively displaced from the interface if small-molecule surfactants are added, leading to destabilization of the entire system. This is because surfactants are more effective in molecular packing at the interface, and they lower interfacial tension to a greater degree than whey proteins do, but their interfacial films are poor in viscoelasticity. We hypothesized that whey proteins would become more resistant to surfactant-induced competitive displacement if they were conjugated with network-forming polysaccharides. The protein moiety of the conjugate would be expected to enable its adsorption to the interface, and the polysaccharide moiety would be expected to form self-assembled networks, strengthening the interfacial film as a whole. In this study, whey proteins were conjugated with gellan polysaccharides using the Maillard reaction. Atomic force microscopy images of interfacial films formed by the whey protein-gellan conjugate at the air-water interface and transferred onto mica sheets using the Langmuir-Blodgett method revealed that gellan did form self-assembled networks at the interface and that interfacial films also contained a large number of unconjugated whey protein molecules. Following the addition of a small-molecule surfactant (Tween 20) to the sub-phase, surface pressure increased, indicating spontaneous adsorption of surfactants to the interface. Atomic force microscopy images showed decreases in interfacial area coverage by whey proteins as surface pressure increased. At a given surface pressure, the interfacial area coverage by whey protein-gellan conjugates was greater than coverage by unconjugated whey proteins, confirming that whey proteins became more resistant to surfactant-induced displacement after conjugation with gellan. Furthermore, gellan molecules added to the sub-phase after the formation of a monolayer of whey proteins at the air-water interface did not adsorb to the interfacial protein film. These results provide a molecular basis for designing interfacial structures to enhance the stability of colloidal systems. Copyright © 2016 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

A Laboratory Study of the Effect of Frost Flowers on C Band Radar Backscatter from Sea Ice

NASA Technical Reports Server (NTRS)

Nghiem, S. V.; Martin, S.; Perovich, D. K.; Kwok, R.; Drucker, R.; Gow, A. J.

1997-01-01

C band images of Arctic sea ice taken by the ERS 1 synthetic aperture radar show transitory regions of enhanced radar backscatter from young sea ice. Published field observations associate this increase with frost flower growth and the capture of blowing snow by the flowers. To investigate the first part of this phenomenon, we carried out a laboratory experiment on the response of C band radar backscatter to frost flowers growing on the surface of newly formed saline ice. The experiment took place in a 5 m by 7 m by 1.2 m deep saline water pool located in a two-story indoor refrigerated facility at the Cold Regions Research and Engineering Laboratory. Sodium chloride ice was grown in this pool at an air temperature of -28 C. The frost flowers first appeared on the ice surface as dendrites and then changed to needles as the ice sheet grew thicker and the surface temperatures became colder. The frost flowers reached to a height of 10-15 mm, and beneath each cluster of frost flowers a slush layer formed to a thickness of approximately 4 mm. Far-field radar measurements of the backscatter from the ice were made at incident angles from 20 to 40 deg and at approximately 6-hour intervals throughout the 3-day period of the experiment. A backscatter minimum occurred early in the flower growth at the time coincident with an abrupt doubling in the ice surface salinity. Once the full flower coverage was achieved, we removed first the crystal flowers and then the slush layer from the ice surface. The results for these cases show that the crystals have little impact on the backscatter, while the underlying slush patches yield a backscatter increase of 3-5 dB over that of bare ice. The laboratory results suggest that this relative backscatter increase of approximately 5 dB can be used as an index to mark the full area coverage of frost flowers.

A Laboratory Study of the Effect of Frost Flowers on C Band Radar Backscatter from Sea Ice

NASA Technical Reports Server (NTRS)

Nghiem, S. V.; Martin, S.; Perovich, D. K.; Kwok, R.; Drucker, R.; Gow, A. J.

1997-01-01

C band images of Arctic sea ice taken by the ERS 1 synthetic aperture radar show transitory regions of enhanced radar backscatter from young sea ice. Published field observations associate this increase with frost flower growth and the capture of blowing snow by the flowers. To investigate the first part of this phenomenon, we carried out a laboratory experiment on the response of C band radar backscatter to frost flowers growing on the surface of newly formed saline ice. The experiment took place in a 5 m by 7 m by 1.2 m deep saline water pool located in a two-story indoor refrigerated facility at the Cold Regions Research and Engineering Laboratory. Sodium chloride ice was grown in this pool at an air temperature of -28 C. The frost flowers first appeared on the ice surface as dendrites and then changed to needles as the ice sheet grew thicker and the surface temperatures became colder. The frost flowers reached to a height of 10-15 mm, and beneath each cluster of frost flowers a slush layer formed to a thickness of approximately 4 mm. Far-field radar measurements of the backscatter from the ice were made at incident angles from 20 C to 40 C and at approximately 6-hour intervals throughout the 3-day period of the experiment. A backscatter minimum occurred early in the flower growth at the time coincident with an abrupt doubling in the ice surface salinity. Once the full flower coverage was achieved, we removed first the crystal flowers and then the slush layer from the ice surface. The results for these cases show that the crystals have little impact on the backscatter, while the underlying slush patches yield a backscatter increase of 3-5 dB over that o f bare ice. The laboratory results suggest that this relative backscatter increase of approximately 5 dB can be used as an index to mark the full areal coverage of frost flowers.

Full-coverage film cooling. I - Comparison of heat transfer data for three injection angles

NASA Technical Reports Server (NTRS)

Crawford, M. E.; Kays, W. M.; Moffat, R. J.

1980-01-01

Wind tunnel experiments were carried out at Stanford between 1971 and 1977 to study the heat transfer characteristics of full-coverage film cooled surfaces with three geometries; normal-, 30 deg slant-, and 30 deg x 45 deg compound-angled injection. A flat full-coverage section and downstream recovery section comprised the heat transfer system. The experimental objectives were to determine, for each geometry, the effects on surface heat flux of injection blowing ratio, injection temperature ratio, and upstream initial conditions. Spanwise-averaged Stanton numbers were measured for blowing ratios from 0 to 1.3, and for two values of injection temperature at each blowing ratio. The heat transfer coefficient was defined on the basis of a mainstream-to-wall temperature difference. Initial momentum and enthalpy thickness Reynolds numbers were varied from 500 to about 3000.

a Photoemission Study of the Electronic Structure Induced by Potassium Adsorption on TiO2(110)

NASA Astrophysics Data System (ADS)

Heise, Rainer; Courths, Ralf

Electronic structure effects induced by potassium adsorption up to one monolayer (ML) on a nearly stoichiometric TiO2(110) surface has been studied by means of angle-resolved photoemission spectroscopy (ARUPS and ARXPS) from valence states and core levels. In agreement with the observations on K/TiO2(100) [P.J. Hardman et al., Surf. Sci. 269/270, 677 (1992)], potassium adsorption at room temperature leads—due to K-to-substrate charge transfer—to the reduction of surface Ti ions (to nominally Ti3+ ions), evidenced by lowered Ti 2p core-level binding energy (ΔBE=-1.6 eV) and occupation of Ti 3d-like band-gap states centered at 0.9 eV BE. The gap-state intensity exhibits a pronounced maximum at 0.37 ML coverage, where the work function has a weak minimum. This behavior is in agreement with a ionic-to-neutral transition of the K-substrate bonding with increasing K coverage, as suggested recently [Souda et al., Surf. Sci. 285, 265 (1993)]. Annealing of a surface precovered with 0.27 ML potassium up to 1000 K results in metallization of the surface, evidenced by (i) the occupation of a second gap-state centered at 0.4 BE and with a considerable state-density at the Fermi energy, and (ii) Ti 2p core-levels lowered by 3.2 eV in BE (nominally “Ti2+” ions). This dramatic reduction of the surface is healed out with complete desorption of potassium. A discussion in terms of desorption of KOx species and oxygen diffusion from the bulk to the surface is given.

Effects of Reduced Terrestrial LiDAR Point Density on High-Resolution Grain Crop Surface Models in Precision Agriculture

PubMed Central

Hämmerle, Martin; Höfle, Bernhard

2014-01-01

3D geodata play an increasingly important role in precision agriculture, e.g., for modeling in-field variations of grain crop features such as height or biomass. A common data capturing method is LiDAR, which often requires expensive equipment and produces large datasets. This study contributes to the improvement of 3D geodata capturing efficiency by assessing the effect of reduced scanning resolution on crop surface models (CSMs). The analysis is based on high-end LiDAR point clouds of grain crop fields of different varieties (rye and wheat) and nitrogen fertilization stages (100%, 50%, 10%). Lower scanning resolutions are simulated by keeping every n-th laser beam with increasing step widths n. For each iteration step, high-resolution CSMs (0.01 m2 cells) are derived and assessed regarding their coverage relative to a seamless CSM derived from the original point cloud, standard deviation of elevation and mean elevation. Reducing the resolution to, e.g., 25% still leads to a coverage of >90% and a mean CSM elevation of >96% of measured crop height. CSM types (maximum elevation or 90th-percentile elevation) react differently to reduced scanning resolutions in different crops (variety, density). The results can help to assess the trade-off between CSM quality and minimum requirements regarding equipment and capturing set-up. PMID:25521383

Water Adsorption on Clean and Defective Anatase TiO2 (001) Nanotube Surfaces: A Surface Science Approach.

PubMed

Kenmoe, Stephane; Lisovski, Oleg; Piskunov, Sergei; Bocharov, Dmitry; Zhukovskii, Yuri F; Spohr, Eckhard

2018-05-31

We use ab initio molecular dynamics simulations to study the adsorption of thin water films with 1 and 2 ML coverage on anatase TiO 2 (001) nanotubes. The nanotubes are modeled as 2D slabs, which consist of partially constrained and partially relaxed structural motifs from nanotubes. The effect of anion doping on the adsorption is investigated by substituting O atoms with N and S impurities on the nanotube slab surface. Due to strain-induced curvature effects, water adsorbs molecularly on defect-free surfaces via weak bonds on Ti sites and H bonds to surface oxygens. While the introduction of an S atom weakens the interaction of the surface with water, which adsorbs molecularly, the presence of an N impurity renders the surface more reactive to water, with a proton transfer from the water film and the formation of an NH group at the N site. At 2 ML coverage, a further surface-assisted proton transfer takes place in the water film, resulting in the formation of an OH - group and an NH 2 + cationic site on the surface.

Adsorption of poly(ethylene glycol)-modified ribonuclease A to a poly(lactide-co-glycolide) surface.

PubMed

Daly, Susan M; Przybycien, Todd M; Tilton, Robert D

2005-06-30

Protein adsorption is a source of variability in the release profiles of therapeutic proteins from biodegradable microspheres. We employ optical reflectometry and total internal reflection fluorescence to explore the extent and kinetics of ribonuclease A (RNase A) adsorption to spin-cast films of poly(lactide-co-glycolide) (PLG) and, in particular, to determine how covalent grafting of polyethylene glycol (PEG) to RNase A affects adsorption. Adsorption kinetics on PLG surfaces are surface-limited for RNase A but transport-limited for unconjugated PEG homopolymers and for PEG-modified RNase A, indicating that PEG anchors the conjugates to the surface during the transport-limited regime. PEG modification of RNase A decreases the total number of adsorbed molecules per unit area but increases the areal surface coverage because the grafted PEG chains exclude additional surface area. Total internal reflection fluorescence-based exchange measurements show that there is no exchange between adsorbed and solution-phase protein molecules. This indicates an unusually tenacious adsorption. Streaming current measurements indicate that the zeta potential of the PLG surface becomes increasingly negative as the film is exposed to water for several weeks, as expected. Aging of the PLG surface results in increased adsorption of unmodified RNase A but decreased adsorption of unconjugated PEG homopolymers and of PEG-RNase A conjugates, relative to the extent of adsorption on freshly prepared PLG surfaces. Adsorption results correlate well with an increase in the rate, total extent and preservation of bioactivity of RNase A released from PLG microspheres for the PEG-modified version of RNase A.

Effectiveness of Different Urban Heat Island Mitigation Methods and Their Regional Impacts

NASA Astrophysics Data System (ADS)

Zhang, N.

2017-12-01

Cool roofs and green roofs are two popular methods to mitigate urban heat island and improve urban climate. The effectiveness of different urban heat island mitigation strategies in the summer of 2013 in the Yangtze River Delta, China is investigated using the WRF (Weather Research and Forecasting) model coupled with a physically based urban canopy model. The modifications to the roof surface changed the urban surface radiation balance and then modified the local surface energy budget. Both cool roofs and green roofs led to lower surface skin temperature and near-surface air temperature. Increasing the roof albedo to 0.5 caused a similar effectiveness as covering 25% of urban roofs with vegetation; increasing roof albedo to 0.7 caused a similar near-surface air temperature decrease as 75% green roof coverage. The near-surface relative humidity increased in both cool roof and green roof experiments because of the combination of the impacts of increases in specific humidity and decreases in air temperature. The regional impacts of cool roofs and green roofs were evaluated using the regional effect index. The regional effect could be found in both near-surface air temperature and surface specific/relative humidity when the percentage of roofs covered with high albedo materials or green roofs reached a higher fraction (greater than 50%). The changes in the vertical profiles of temperature cause a more stable atmospheric boundary layer over the urban area; at the same time, the crossover phenomena occurred above the boundary layer due to the decrease in vertical wind speed.

Effect of stone coverage on soil erosion

NASA Astrophysics Data System (ADS)

Jomaa, S.; Barry, D. A.; Heng, B. P.; Brovelli, A.; Sander, G. C.; Parlange, J.

2010-12-01

Soil surface coverage has a significant impact on water infiltration, runoff and soil erosion yields. In particular, surface stones protect the soils from raindrop detachment, they retard the overland flow therefore decreasing its sediment transport capacity, and they prevent surface sealing. Several physical and environmental factors control to what extent stones on the soil surface modify the erosion rates and the related hydrological response. Among the most important factors are the moisture content of the topsoil, stone size, emplacement, coverage density and soil texture. Owing to the different inter-related processes, there is ambiguity concerning the quantitative effect of stones, and process-based understanding is limited. Experiments were performed (i) to quantify how stone features affect sediment yields, (ii) to understand the local effect of isolated surface stones, that is, the changes of the soil particle size distribution in the vicinity of a stone and (iii) to determine how stones attenuate the development of surface sealing and in turn how this affects the local infiltration rate. A series of experiments using the EPFL 6-m × 2-m erosion flume were conducted at different rainfall intensities (28 and 74 mm h-1) and stone coverage (20 and 40%). The total sediment concentration, the concentration of the individual size classes and the flow discharge were measured. In order to analyze the measurements, the Hairsine and Rose (HR) erosion model was adapted to account for the shielding effect of the stone cover. This was done by suitably adjusting the parameters based on the area not covered by stones. It was found that the modified HR model predictions agreed well with the measured sediment concentrations especially for the long time behavior. Changes in the bulk density of the topsoil due to raindrop-induced compaction with and without stone protection revealed that the stones protect the upper soil surface against the structural seals resulting in negligible changes in the bulk density during the erosion event. Since the main process contributing to surface sealing development is the compaction due to the raindrop kinetic energy and associated physico-chemical changes, the protection provided by the stone cover is consistent with the area-averaging approach used in applying the HR model.

ToF-SIMS analysis of poly(L-lysine)-graft-poly(2-methyl-2-oxazoline) ultrathin adlayers.

PubMed

Pidhatika, Bidhari; Chen, Yin; Coullerez, Geraldine; Al-Bataineh, Sameer; Textor, Marcus

2014-02-01

Understanding of the interfacial chemistry of ultrathin polymeric adlayers is fundamentally important in the context of establishing quantitative design rules for the fabrication of nonfouling surfaces in various applications such as biomaterials and medical devices. In this study, seven poly(L-lysine)-graft-poly(2-methyl-2-oxazoline) (PLL-PMOXA) copolymers with grafting density (number of PMOXA chains per lysine residue) 0.09, 0.14, 0.19, 0.33, 0.43, 0.56, and 0.77, respectively, were synthesized and characterized by means of nuclear magnetic resonance spectroscopy (NMR). The copolymers were then adsorbed on Nb2O5 surfaces. Optical waveguide lightmode spectroscopy method was used to monitor the surface adsorption in situ of these copolymers and provide information on adlayer masses that were then converted into PLL and PMOXA surface densities. To investigate the relationship between copolymer bulk architecture (as shown by NMR data) and surface coverage as well as surface architecture, time-of-flight secondary ion mass spectrometry (ToF-SIMS) analysis was performed. Furthermore, ToF-SIMS method combined with principal component analysis (PCA) was used to verify the protein resistant properties of PLL-PMOXA adlayers, by thorough characterization before and after adlayer exposure to human serum. ToF-SIMS analysis revealed that the chemical composition as well as the architecture of the different PLL-PMOXA adlayers indeed reflects the copolymer bulk composition. ToF-SIMS results also indicated a heterogeneous surface coverage of PLL-PMOXA adlayers with high grafting densities higher than 0.33. In the case of protein resistant surface, PCA results showed clear differences between protein resistant and nonprotein-resistant surfaces. Therefore, ToF-SIMS results combined with PCA confirmed that the PLL-PMOXA adlayer with brush architecture resists protein adsorption. However, low increases of some amino acid signals in ToF-SIMS spectra were detected after the adlayer has been exposed to human serum.

The Impact of the ACA Medicaid Expansions on Health Insurance Coverage through 2015 and Coverage Disparities by Age, Race/Ethnicity, and Gender.

PubMed

Wehby, George L; Lyu, Wei

2018-04-01

Examine the ACA Medicaid expansion effects on Medicaid take-up and private coverage through 2015 and coverage disparities by age, race/ethnicity, and gender. 2011-2015 American Community Survey for 3,137,989 low-educated adults aged 19-64 years. Difference-in-differences regressions accounting for national coverage trends and state fixed effects. Expansion effects doubled in 2015 among low-educated adults, with a nearly 8 percentage-point increase in Medicaid take-up and 6 percentage-point decline in uninsured rate. Significant coverage gains were observed across virtually all examined groups by age, gender, and race/ethnicity. Take-up and insurance declines were strongest among younger adults and were generally close by gender and race/ethnicity. Despite the increased take-up however, coverage disparities remained sizeable, especially for young adults and Hispanics who had declining but still high uninsured rates in 2015. There was some evidence of private coverage crowd-out in certain subgroups, particularly among young adults aged 19-26 years and women, including in both individually purchased and employer-sponsored coverage. The ACA Medicaid expansions have continued to increase coverage in 2015 across the entire population of low-educated adults and have reduced age disparities in coverage. However, there is still a need for interventions that target eligible young and Hispanic adults. © Health Research and Educational Trust.

[Spatial and temporal analysis of the coverage for neonatal hearing screening in Brazil (2008-2015)].

PubMed

Paschoal, Monique Ramos; Cavalcanti, Hannalice Gottschalck; Ferreira, Maria Ângela Fernandes

2017-11-01

This article seeks to establish the coverage of neonatal hearing screening in Brazil between January 2008 and June 2015. It is an ecological study that uses the country, through the Urban Articulation Regions, as a base. To calculate the screening coverage percentage, the Live Births Information System, the Outpatient Information System and the Beneficiaries of the National Supplementary Health Agency Information System were used. An exploratory analysis of maps and spatial statistical analysis was conducted using TerraView 4.2.2 software. The coverage of neonatal hearing screening saw an increase of 9.3% to 37.2% during the study period. In 2008-2009 it was observed that the percentage of coverage ranged from 0% to 79.92%, but most areas received coverage from 0% to 20%, though in 2014-2015 coverage ranged from 0% to 171.77%, and there was a visible increase in the percentage of coverage in the country, mainly in the Southern Region. The screening coverage has increased over time, but is still low with an uneven distribution in the territory, which may be explained by local laws and policies and by the existence of different types of auditory health service in the country.

Stable near-surface ocean salinity stratifications due to evaporation observed during STRASSE

NASA Astrophysics Data System (ADS)

Asher, William E.; Jessup, Andrew T.; Clark, Dan

2014-05-01

Under conditions with a large solar flux and low wind speed, a stably stratified warm layer forms at the ocean surface. Evaporation can then lead to an increase in salinity in the warm layer. A large temperature gradient will decrease density enough to counter the density increase caused by the salinity increase, forming a stable positive salinity anomaly at the surface. If these positive salinity anomalies are large in terms of the change in salinity from surface to the base of the gradient, if their areal coverage is a significant fraction of the satellite footprint, and if they persist long enough to be in the satellite field of view, they could be relevant for calibration and validation of L-band microwave salinity measurements. A towed, surface-following profiler was deployed from the N/O Thalassa during the Subtropical Atlantic Surface Salinity Experiment (STRASSE). The profiler measured temperature and conductivity in the surface ocean at depths of 10, 50, and 100 cm. The measurements show that positive salinity anomalies are common at the ocean surface for wind speeds less than 4 m s-1 when the average daily insolation is >300 W m-2 and the sea-to-air latent heat flux is greater than zero. A semiempirical model predicts the observed dependence of measured anomalies on environmental conditions. However, the model results and the field data suggest that these ocean surface salinity anomalies are not large enough in terms of the salinity difference to significantly affect microwave radiometric measurements of salinity.

Strategies to improve treatment coverage in community-based public health programs: A systematic review of the literature.

PubMed

Deardorff, Katrina V; Rubin Means, Arianna; Ásbjörnsdóttir, Kristjana H; Walson, Judd

2018-02-01

Community-based public health campaigns, such as those used in mass deworming, vitamin A supplementation and child immunization programs, provide key healthcare interventions to targeted populations at scale. However, these programs often fall short of established coverage targets. The purpose of this systematic review was to evaluate the impact of strategies used to increase treatment coverage in community-based public health campaigns. We systematically searched CAB Direct, Embase, and PubMed archives for studies utilizing specific interventions to increase coverage of community-based distribution of drugs, vaccines, or other public health services. We identified 5,637 articles, from which 79 full texts were evaluated according to pre-defined inclusion and exclusion criteria. Twenty-eight articles met inclusion criteria and data were abstracted regarding strategy-specific changes in coverage from these sources. Strategies used to increase coverage included community-directed treatment (n = 6, pooled percent change in coverage: +26.2%), distributor incentives (n = 2, +25.3%), distribution along kinship networks (n = 1, +24.5%), intensified information, education, and communication activities (n = 8, +21.6%), fixed-point delivery (n = 1, +21.4%), door-to-door delivery (n = 1, +14.0%), integrated service distribution (n = 9, +12.7%), conversion from school- to community-based delivery (n = 3, +11.9%), and management by a non-governmental organization (n = 1, +5.8%). Strategies that target improving community member ownership of distribution appear to have a large impact on increasing treatment coverage. However, all strategies used to increase coverage successfully did so. These results may be useful to National Ministries, programs, and implementing partners in optimizing treatment coverage in community-based public health programs.

Strategies to improve treatment coverage in community-based public health programs: A systematic review of the literature

PubMed Central

2018-01-01

Background Community-based public health campaigns, such as those used in mass deworming, vitamin A supplementation and child immunization programs, provide key healthcare interventions to targeted populations at scale. However, these programs often fall short of established coverage targets. The purpose of this systematic review was to evaluate the impact of strategies used to increase treatment coverage in community-based public health campaigns. Methodology/ principal findings We systematically searched CAB Direct, Embase, and PubMed archives for studies utilizing specific interventions to increase coverage of community-based distribution of drugs, vaccines, or other public health services. We identified 5,637 articles, from which 79 full texts were evaluated according to pre-defined inclusion and exclusion criteria. Twenty-eight articles met inclusion criteria and data were abstracted regarding strategy-specific changes in coverage from these sources. Strategies used to increase coverage included community-directed treatment (n = 6, pooled percent change in coverage: +26.2%), distributor incentives (n = 2, +25.3%), distribution along kinship networks (n = 1, +24.5%), intensified information, education, and communication activities (n = 8, +21.6%), fixed-point delivery (n = 1, +21.4%), door-to-door delivery (n = 1, +14.0%), integrated service distribution (n = 9, +12.7%), conversion from school- to community-based delivery (n = 3, +11.9%), and management by a non-governmental organization (n = 1, +5.8%). Conclusions/significance Strategies that target improving community member ownership of distribution appear to have a large impact on increasing treatment coverage. However, all strategies used to increase coverage successfully did so. These results may be useful to National Ministries, programs, and implementing partners in optimizing treatment coverage in community-based public health programs. PMID:29420534

Adsorption of small hydrocarbons on rutile TiO2(110)

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

Chen, Long; Smith, R. Scott; Kay, Bruce D.

2016-08-01

Temperature programmed desorption and molecular beam scattering were used to study the adsorption and desorption of small hydrocarbons (n-alkanes, 1-alkenes and 1-alkynes with 1 - 4 carbon atoms of C1-C4) on rutile TiO2(110). We show that the sticking coefficients for all the hydrocarbons are close to unity (> 0.95) at an adsorption temperature of 60 K. The desorption energies for hydrocarbons of the same chain length increase from n-alkanes to 1-alkenes and to 1-alkynes. This trend is likely a consequence of an additional dative bonding of the alkene and alkyne π system to the coordinatively unsaturated Ti5c sites. Similar tomore » previous studies on the adsorption of n-alkanes on metal and metal oxide surfaces, we find the desorption energies within each group (n-alkanes vs. 1-alkenes vs. 1-alkynes) from Ti5c sites increase linearly with the chain length. The absolute saturation coverages of each hydrocarbon on Ti5c sites were also determined. The saturation coverage of CH4, is found to be ~ 2/3 monolayer (ML). The saturation coverages of C2-C4 hydrocarbons are found nearly independent of the chain length with values of ~1/2 ML for n-alkanes and 1-alkenes and 2/3 ML for 1-alkynes. This result is surprising considering their similar sizes.« less

Adsorption of small hydrocarbons on rutile TiO 2(110)

DOE PAGES

Chen, Long; Smith, R. Scott; Kay, Bruce D.; ...

2015-11-21

Here, temperature programmed desorption and molecular beam scattering were used to study the adsorption and desorption of small hydrocarbons (n-alkanes, 1-alkenes and 1-alkynes of C 1–C 4) on rutile TiO 2(110). We show that the sticking coefficients for all the hydrocarbons are close to unity (> 0.95) at an adsorption temperature of 60 K. The desorption energies for hydrocarbons of the same chain length increase from n-alkanes to 1-alkenes and to 1-alkynes. This trend is likely a consequence of additional dative bonding of the alkene and alkyne π system to the coordinatively unsaturated Ti 5c sites. Similar to previous studiesmore » on the adsorption of n-alkanes on metal and metal oxide surfaces, we find that the desorption energies within each group (n-alkanes vs. 1-alkenes vs. 1-alkynes) from Ti 5c sites increase linearly with the chain length. The absolute saturation coverages of each hydrocarbon on Ti 5c sites were also determined. The saturation coverage of CH 4, is found to be ~ 2/3 monolayer (ML). The saturation coverages of C 2–C 4 hydrocarbons are found nearly independent of the chain length with values of ~ 1/2 ML for n-alkanes and 1-alkenes and 2/3 ML for 1-alkynes. This result is surprising considering their similar sizes.« less

Permafrost and lakes control river isotope composition across a boreal Arctic transect in the Western Siberian lowlands

NASA Astrophysics Data System (ADS)

Ala-aho, P.; Soulsby, C.; Pokrovsky, O. S.; Kirpotin, S. N.; Karlsson, J.; Serikova, S.; Manasypov, R.; Lim, A.; Krickov, I.; Kolesnichenko, L. G.; Laudon, H.; Tetzlaff, D.

2018-03-01

The Western Siberian Lowlands (WSL) store large quantities of organic carbon that will be exposed and mobilized by the thawing of permafrost. The fate of mobilized carbon, however, is not well understood, partly because of inadequate knowledge of hydrological controls in the region which has a vast low-relief surface area, extensive lake and wetland coverage and gradually increasing permafrost influence. We used stable water isotopes to improve our understanding of dominant landscape controls on the hydrology of the WSL. We sampled rivers along a 1700 km South-North transect from permafrost-free to continuous permafrost repeatedly over three years, and derived isotope proxies for catchment hydrological responsiveness and connectivity. We found correlations between the isotope proxies and catchment characteristics, suggesting that lakes and wetlands are intimately connected to rivers, and that permafrost increases the responsiveness of the catchment to rainfall and snowmelt events, reducing catchment mean transit times. Our work provides rare isotope-based field evidence that permafrost and lakes/wetlands influence hydrological pathways across a wide range of spatial scales (10-105 km2) and permafrost coverage (0%-70%). This has important implications, because both permafrost extent and lake/wetland coverage are affected by permafrost thaw in the changing climate. Changes in these hydrological landscape controls are likely to alter carbon export and emission via inland waters, which may be of global significance.

Marital disruption and health insurance.

PubMed

Peters, H Elizabeth; Simon, Kosali; Taber, Jamie Rubenstein

2014-08-01

Despite the high levels of marital disruption in the United States and the fact that a significant portion of health insurance coverage for those less than age 65 is based on family membership, surprisingly little research is available on the consequences of marital disruption for the health insurance coverage of men, women, and children. We address this shortfall by examining patterns of coverage surrounding marital disruption for men, women, and children, further subset by educational level. Using the 1996, 2001, and 2004 panels of the Survey of Income and Program Participation (SIPP), we find large differences in health insurance coverage across marital status groups in the cross-section. In longitudinal analyses that focus on within-person change, we find small overall coverage changes but large changes in type of coverage following marital disruption. Both men and women show increases in private coverage in their own names, but offsetting decreases in dependent coverage tend to be larger. One surprising result is that dependent coverage for children also declines after marital dissolution, even though children are still likely to be eligible for that coverage. Children and (to a lesser extent) women show increases in public coverage around the time of divorce or separation. We also find that these patterns differ by education. The most vulnerable group appears to be lower-educated women with children because the increases in private, own-name, and public insurance are not large enough to offset the large decrease in dependent coverage. As the United States implements federal health reform, it is critical that we understand the ways in which life course events-specifically, marital disruption-shape the dynamic patterns of coverage.

The Effects of Anchor Groups on (1) TiO2-Catalyzed Photooxidation and (2) Linker-Assisted Assembly on TiO2

NASA Astrophysics Data System (ADS)

Anderson, Ian Mark

Quantum dot-sensitized solar cells (QDSSCs) are a popular target for research due to their potential for highly efficient, easily tuned absorption. Typically, light is absorbed by quantum dots attached to a semiconductor substrate, such as TiO2, via bifunctional linker molecules. This research aims to create a patterned monolayer of linker molecules on a TiO2 film, which would in turn allow the attachment of a patterned layer of quantum dots. One method for the creation of a patterned monolayer is the functionalization of a TiO2 film with a linker molecule, followed by illumination with a laser at 355 nm. This initiates a TiO 2-catalyzed oxidation reaction, causing loss of surface coverage. A second linker molecule can then be adsorbed onto the TiO2 surface in the illuminated area. Towards that end, the behaviors of carboxylic and phosphonic acids adsorbed on TiO2 have been studied. TiO2 films were functionalized by immersion in solutions a single adsorbate and surface coverage was determined by IR spectroscopy. It is shown that phosphonic acids attain higher surface coverage than carboxylic acids, and will displace them from TiO2 when in a polar solvent. Alkyl chain lengths, which can influence stabilities of monolayers, are shown not to have an effect on this relationship. Equilibrium binding data for the adsorption of n-hexadecanoic acid to TiO2 from a THF solution are presented. It is shown that solvent polarity can affect monolayer stability; carboxylates and phosphonates undergo more desorption into polar solvents than nonpolar. Through illumination, it was possible to remove nearly all adsorbed linkers from TiO2. However, the illuminated areas were found not to be receptive to attachment by a second adsorbate. A possible reason for this behavior is presented. I also report on the synthesis and characterization of a straight-chain, thiol-terminated phosphonic acid. Initial experiments involving monolayer formation and quantum dot attachment are presented. Finally, it was found that quantum dots attach in high amounts to linker-functionalized TiO2 when suspended in pyridine. This increased surface attachment was present even when the linker molecule used lacked a functional group which would bind to the CdSe surface.

Impact of the CDC's Section 317 Immunization Grants Program funding on childhood vaccination coverage.

PubMed

Rein, David B; Honeycutt, Amanda A; Rojas-Smith, Lucia; Hersey, James C

2006-09-01

The Centers for Disease Control and Prevention's Section 317 Grants Program is the main source of funding for state and jurisdictional immunization programs, yet no study has evaluated its direct impact on vaccination coverage rates. Therefore, we used a fixed-effects model and data collected from 56 US jurisdictions to estimate the impact of Section 317 financial assistance immunization grants on childhood vaccination coverage rates from 1997 to 2003. Our results showed that increases in Section 317 funding were significantly and meaningfully associated with higher rates of vaccination coverage; a 10 dollars increase in per capita funding corresponded with a 1.6-percentage-point increase in vaccination coverage. Policymakers charged with funding public health programs should consider this study's findings, which indicate that money allocated to vaccine activities translates directly into higher vaccine coverage rates.

Interventions to increase HPV vaccination coverage: A systematic review

PubMed Central

Smulian, Elizabeth A.; Mitchell, Krista R.; Stokley, Shannon

2016-01-01

ABSTRACT We reviewed intervention studies designed to increase human papillomavirus (HPV) vaccination coverage to further understand the impact interventions can have on HPV vaccination coverage. We searched 5 databases for intervention studies published from June 2006 to May 2015. Studies were included if they quantitatively measured HPV vaccination coverage as an outcome and were conducted in the United States. We abstracted outcomes, methods, and results from each study and classified by type of intervention conducted. Findings from 34 studies suggest many types of intervention strategies can increase HPV vaccination coverage in different settings, and with modest cost. Interventions were effective especially when implemented in combination at both provider and community levels. However, not all interventions showed significant effects on coverage. More research is needed to identify the best methods for widespread implementation of effective strategies. PMID:26838959

The reactions of thiophene on Mo(110) and Mo(110)-p(2×2)-S

NASA Astrophysics Data System (ADS)

Roberts, Jeffrey T.; Friend, C. M.

1987-07-01

The reactions of thiophene and 2,5-dideuterothiophene on Mo(110) and Mo(110)-p(2×2)-S have been investigated under ultrahigh vacuum conditions using temperature programmed reaction spectroscopy and Auger electron spectroscopy. Thiophene chemisorbed on Mo(110) decomposes during temperature programmed reaction to yield only gaseous dihydrogen, surface carbon, and surface sulfur. At low thiophene exposures, dihydrogen evolves from Mo(110) in a symmetric peak at 440 K. At saturation exposures, three dihydrogen peaks are detected at 360 K, at 420 K and at 565 K. Multilayers of thiophene desorb at 180 K. Temperature programmed reaction of 2,5-dideuterothiophene demonstrates that at high thiophene coverages, one of the α-C-H bonds (those nearest sulfur) breaks first. No bond breaking selectivity is observed at low thiophene exposures. The Mo(110)-p(2×2)-S surface is less active for thiophene decomposition. Thiophene adsorbed on Mo(110)-p(2×2)-S to low coverages decomposes to surface carbon surface sulfur, and hydrogen at 430 K. At reaction saturation, dihydrogen production is observed at 375 and 570 K. In addition, at moderate and high exposures, chemisorbed thiophene desorbs from Mo(110)-p(2×2)-S. At saturation the desorption temperature of the reversibly chemisorbed state is 215 K. Experiments with 2,5-dideuterothiophene demonstrate no surface selectivity for α-C-H bond breaking reactions on Mo(110)-p(2×2)-S. The decomposition mechanism and energetics of thiophene decomposition are proposed to be dependent on the coverage of thiophene. At low thiophene exposures, the ring is proposed to bond parallel to the surface. All C-H bonds in the parallel geometry are sterically available for activation by the surface, accounting for the lack of selectivity in C-H bond breaking. High thiophene coverages are suggested to result in perpendicularly bound thiophene which undergoes selective α-dehydrogenation to an α)-thiophenyl intermediate. The presence of sulfur leads to a high energy pathway for cleavage of C-H bonds in a thiophene derived intermediate. Carbon-hydrogen bonds survive on the surface up to temperatures of 650 K. Comparison of this study with work on Mo(100) demonstrates that the reaction of thiophene on molybdenum is relatively insensitive to the surface geometric structure.

A Study of the Mechanism of the Hydrogen Evolution Reaction on Nickel by Surface Interrogation Scanning Electrochemical Microscopy.

PubMed

Liang, Zhenxing; Ahn, Hyun S; Bard, Allen J

2017-04-05

The hydrogen evolution reaction (HER) on Ni in alkaline media was investigated by scanning electrochemical microscopy under two operating modes. First, the substrate generation/tip collection mode was employed to extract the "true" cathodic current associated with the HER from the total current in the polarization curve. Compared to metallic Ni, the electrocatalytic activity of the HER is improved in the presence of the low-valence-state oxide of Ni. This result is in agreement with a previous claim that the dissociative adsorption of water can be enhanced at the Ni/Ni oxide interface. Second, the surface-interrogation scanning electrochemical microscopy (SI-SECM) mode was used to directly measure the coverage of the adsorbed hydrogen on Ni at given potentials. Simulation indicates that the hydrogen coverage follows a Frumkin isotherm with respect to the applied potential. On the basis of the combined analysis of the Tafel slope and surface hydrogen coverage, the rate-determining step is suggested to be the adsorption of hydrogen (Volmer step) in the investigated potential window.

Growth of Au on Ni(110): A Semiempirical Modeling of Surface Alloy Phases

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo; Ibanez-Meier, Rodrigo; Ferrante, John

1995-01-01

Recent experiments using scanning tunneling microscopy show evidence for the formation of surface alloys of otherwise immiscible metals. Such is the case for Au deposited in Ni(110), where experiments by Pleth Nielsen el al.indicate that at low Au coverage (less than 0. 5 ML), Au atoms replace Ni atoms in the surface layer forming a surface alloy while the Ni atoms form islands on the surface. In this paper, we present results of a theoretical modeling of this phenomenon using the recently developed Bozzolo-Ferrante-Smith method for alloys. We provide results of an extensive analysis of the growth process that strongly support the conclusions drawn from the experiment: at very low coverages, there is a tendency for dimer formation on the overlayer, which later exchange positions with Ni atoms in the surface layer, thus accounting for the large number of substituted dimers. Ni island formation as well as other alternative short-range-order patterns are discussed.

Modeling of Transmittance Degradation Caused by Optical Surface Contamination by Atomic Oxygen Reaction with Adsorbed Silicones

NASA Technical Reports Server (NTRS)

Snyder, Aaron; Banks, Bruce; Miller, Sharon; Stueber, Thomas; Sechkar, Edward

2001-01-01

A numerical procedure is presented to calculate transmittance degradation caused by contaminant films on spacecraft surfaces produced through the interaction of orbital atomic oxygen (AO) with volatile silicones and hydrocarbons from spacecraft components. In the model, contaminant accretion is dependent on the adsorption of species, depletion reactions due to gas-surface collisions, desorption, and surface reactions between AO and silicone producing SiO(x), (where x is near 2). A detailed description of the procedure used to calculate the constituents of the contaminant layer is presented, including the equations that govern the evolution of fractional coverage by specie type. As an illustrative example of film growth, calculation results using a prototype code that calculates the evolution of surface coverage by specie type is presented and discussed. An example of the transmittance degradation caused by surface interaction of AO with deposited contaminant is presented for the case of exponentially decaying contaminant flux. These examples are performed using hypothetical values for the process parameters.

Surface roughness formation during shot peen forming

NASA Astrophysics Data System (ADS)

Koltsov, V. P.; Vinh, Le Tri; Starodubtseva, D. A.

2018-03-01

Shot peen forming (SPF) is used for forming panels and skins, and for hardening. As a rule, shot peen forming is performed after milling. Surface roughness is a complex structure, a combination of an original microrelief and shot peen forming indentations of different depths and chaotic distribution along the surface. As far as shot peen forming is a random process, surface roughness resulted from milling and shot peen forming is random too. During roughness monitoring, it is difficult to determine the basic surface area which would ensure accurate results. It can be assumed that the basic area depends on the random roughness which is characterized by the degree of shot peen forming coverage. The analysis of depth and shot peen forming indentations distribution along the surface made it possible to identify the shift of an original center profile plane and create a mathematical model for the arithmetic mean deviation of the profile. Experimental testing proved model validity and determined an inversely proportional dependency of the basic area on the degree of coverage.

Polymer brush covalently attached to OH-functionalized mica surface via surface-initiated ATRP: control of grafting density and polymer chain length.

PubMed

Lego, Béatrice; François, Marion; Skene, W G; Giasson, Suzanne

2009-05-05

The controlled grafting density of poly(tert-butyl acrylate) was studied on OH-activated mica substrates via surface-initiated atom-transfer radical polymerization (ATRP). By properly adjusting parameters such as the immobilization reaction time and the concentration of an ATRP initiator, a wide range of initiator surface coverages and hence polymer densities on mica were possible. The covalently immobilized initiator successfully promoted the polymerization of tert-butyl acrylate on mica surfaces. The resulting polymer layer thickness was measured by AFM using a step-height method. Linear relationships of the polymer thickness with respect to the molecular weight of the free polymer and with respect to the monomer conversion were observed, suggesting that ATRP is well controlled and relatively densely end-grafted layers were obtained. The polymer grafting density controlled by adjusting the initiator surface coverage was confirmed by the polymer layer swelling capacity and film thickness measurements.

Streaming current for particle-covered surfaces: simulations and experiments

NASA Astrophysics Data System (ADS)

Blawzdziewicz, Jerzy; Adamczyk, Zbigniew; Ekiel-Jezewska, Maria L.

2017-11-01

Developing in situ methods for assessment of surface coverage by adsorbed nanoparticles is crucial for numerous technological processes, including controlling protein deposition and fabricating diverse microstructured materials (e.g., antibacterial coatings, catalytic surfaces, and particle-based optical systems). For charged surfaces and particles, promising techniques for evaluating surface coverage are based on measurements of the electrokinetic streaming current associated with ion convection in the double-layer region. We have investigated the dependence of the streaming current on the area fraction of adsorbed particles for equilibrium and random-sequential-adsorption (RSA) distributions of spherical particles, and for periodic square and hexagonal sphere arrays. The RSA results have been verified experimentally. Our numerical results indicate that the streaming current weakly depends on the microstructure of the particle monolayer. Combining simulations with the virial expansion, we provide convenient fitting formulas for the particle and surface contributions to the streaming current as functions of area fractions. For particles that have the same ζ-potential as the surface, we find that surface roughness reduces the streaming current. Supported by NSF Award No. 1603627.

Modeling Impact and Cost-Effectiveness of Increased Efforts to Attract Voluntary Medical Male Circumcision Clients Ages 20-29 in Zimbabwe.

PubMed

Kripke, Katharine; Hatzold, Karin; Mugurungi, Owen; Ncube, Gertrude; Xaba, Sinokuthemba; Gold, Elizabeth; Ahanda, Kim Seifert; Kruse-Levy, Natalie; Njeuhmeli, Emmanuel

2016-01-01

Zimbabwe aims to increase circumcision coverage to 80% among 13- to 29-year-olds. However, implementation data suggest that high coverage among men ages 20 and older may not be achievable without efforts specifically targeted to these men, incurring additional costs per circumcision. Scale-up scenarios were created based on trends in implementation data in Zimbabwe, and the cost-effectiveness of increasing efforts to recruit clients ages 20-29 was examined. Zimbabwe voluntary medical male circumcision (VMMC) program data were used to project trends in male circumcision coverage by age into the future. The projection informed a base scenario in which, by 2018, the country achieves 80% circumcision coverage among males ages 10-19 and lower levels of coverage among men above age 20. The Zimbabwe DMPPT 2.0 model was used to project costs and impacts, assuming a US$109 VMMC unit cost in the base scenario and a 3% discount rate. Two other scenarios assumed that the program could increase coverage among clients ages 20-29 with a corresponding increase in unit cost for these age groups. When circumcision coverage among men ages 20-29 is increased compared with a base scenario reflecting current implementation trends, fewer VMMCs are required to avert one infection. If more than 50% additional effort (reflected as multiplying the unit cost by >1.5) is required to double the increase in coverage among this age group compared with the base scenario, the cost per HIV infection averted is higher than in the base scenario. Although increased investment in recruiting VMMC clients ages 20-29 may lead to greater overall impact if recruitment efforts are successful, it may also lead to lower cost-effectiveness, depending on the cost of increasing recruitment. Programs should measure the relationship between increased effort and increased ability to attract this age group.

Hydrogen bonding and interparticle forces in platelet alpha-Al2O3 dispersions: yield stress and zeta potential.

PubMed

Khoo, Kay-Sen; Teh, E-Jen; Leong, Yee-Kwong; Ong, Ban Choon

2009-04-09

Adsorbed phosphate on smooth platelet alpha-Al2O3 particles at saturation surface coverage gives rise to strong interparticle attractive forces in dispersion. The maximum yield stress at the point of zero charge was increased by 2-fold. This was attributed to a high density of intermolecular hydrogen bonding between the adsorbed phosphate layers of the interacting particles. Adsorbed citrate at saturation surface coverage, however, reduced the maximum yield stress by 50%. It adsorbed to form a very effective steric barrier as intramolecular hydrogen bonding between -OH and the free terminal carboxylic group prevented strong interactions with other adsorbed citrate molecules residing on the second interacting particle. This steric barrier kept the interacting platelet particles further apart, thereby weakening the van der Waals attraction. The platelet alpha-Al2O3 dispersions were flocculated at all pH level. These dispersions displayed a maximum yield stress at the point of zero zeta potential at the pH approximately 8.0. They also obeyed the yield stress-DLVO force model as characterized by a linear decrease in the yield stress with the square of the zeta potential.

Ultrathin type-II GaSb/GaAs quantum wells grown by OMVPE

NASA Astrophysics Data System (ADS)

Pitts, O. J.; Watkins, S. P.; Wang, C. X.; Stotz, J. A. H.; Meyer, T. A.; Thewalt, M. L. W.

2004-09-01

Heterostructures containing monolayer (ML) and submonolayer GaSb insertions in GaAs were grown using organometallic vapour phase epitaxy. At the GaAs-on-GaSb interface, strong intermixing occurs due to the surface segregation of Sb. To form structures with relatively abrupt interfaces, a flashoff growth sequence, in which growth interruptions are employed to desorb Sb from the surface, was introduced. Reflectance-difference spectroscopy and high-resolution X-ray diffraction data demonstrate that interfacial grading is strongly reduced by this procedure. For layer structures grown with the flashoff sequence, a GaSb coverage up to 1 ML can be obtained in the two-dimensional (2D) growth mode. For uncapped GaSb layers, on the other hand, atomic force microscope images show that the 2D-3D growth mode transition occurs at a submonolayer coverage between 0.3 and 0.5 ML. Low-temperature photoluminescence spectra of multiple quantum well samples grown using the flashoff sequence show a strong quantum well-related peak which shifts to lower energies as the amount of Sb incorporated increases. The PL peak energies are consistent with a type-II band lineup at the GaAs/GaSb interface.

High efficient perovskite solar cell material CH3NH3PbI3: Synthesis of films and their characterization

NASA Astrophysics Data System (ADS)

Bera, Amrita Mandal; Wargulski, Dan Ralf; Unold, Thomas

2018-04-01

Hybrid organometal perovskites have been emerged as promising solar cell material and have exhibited solar cell efficiency more than 20%. Thin films of Methylammonium lead iodide CH3NH3PbI3 perovskite materials have been synthesized by two different (one step and two steps) methods and their morphological properties have been studied by scanning electron microscopy and optical microscope imaging. The morphology of the perovskite layer is one of the most important parameters which affect solar cell efficiency. The morphology of the films revealed that two steps method provides better surface coverage than the one step method. However, the grain sizes were smaller in case of two steps method. The films prepared by two steps methods on different substrates revealed that the grain size also depend on the substrate where an increase of the grain size was found from glass substrate to FTO with TiO2 blocking layer to FTO without any change in the surface coverage area. Present study reveals that an improved quality of films can be obtained by two steps method by an optimization of synthesis processes.

Photon-enhanced thermionic emission from p-GaAs with nonequilibrium Cs overlayers

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

Zhuravlev, A. G.; Romanov, A. S.; Alperovich, V. L., E-mail: alper@isp.nsc.ru

2014-12-22

Photon-enhanced thermionic emission (PETE), which is promising for increasing the efficiency of solar energy conversion, is studied during cesium deposition on the As- and Ga-rich p-GaAs(001) surfaces and subsequent relaxation in the nonequilibrium Cs overlayer by means of photoemission quantum yield spectroscopy adapted for systems with time-variable parameters. Along with direct photoemission of “hot” electrons excited by light above the vacuum level, the spectra contain PETE contribution of “thermalized” electrons, which are excited below the vacuum level and emit in vacuum due to thermalization up in energy by phonon absorption. Comparing the measured and calculated spectra, the effective electron affinitymore » and escape probabilities of hot and thermalized electrons are obtained as functions of submonolayer Cs coverage. The minima in the affinity and pronounced peaks in the escape probabilities are observed for Cs deposition on both the As- and Ga-rich surfaces. Possible reasons for the low mean values of the electron escape probabilities and for the observed enhancement of the probabilities at certain Cs coverages are discussed, along with the implications for the PETE device realization.« less

Incommensurate growth of Co thin film on close-packed Ag(111) surface

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

Barman, Sukanta, E-mail: sukanta.ac@gmail.com; Menon, Krishna Kumar S. R., E-mail: krishna.menon@saha.ac.in

2016-05-06

Growth of ultrathin Co layers on close-packed Ag(111)were investigated by means of Low Energy Electron Diffraction (LEED), X-ray Photoelectron Spectroscopy (XPS) and Angle-resolved Photoemission Spectroscopy(ARPES) techniques. The close-packed hexagonal face of Co(0001), exhibits a lattice misfit about 13% with Ag(111) surface which manipulates the growth to be incommensurate up to a certain thickness. The strain field causes aperiodic height undulation in the sub-angstrom regime of the film which was confirmed by p(1 × 1) LEED pattern along with a 6-fold moiré reconstruction pattern in the lower film thickness (up to ∼2ML). The evolution of the LEED pattern was studied withmore » increasing film coverage. Lattice strain was measured with respect to the relative positions of these double spots as a functionof film thickness. Almost a constant strain (∼13%) in the full range of film thickness explains the moiré pattern formation in order to stabilize the incommensurate growth. For higher film coverages, an epitaxial well-ordered commensurate growth was observed. Core level and valance band electronic structures of these films were studied by XPS and ARPES techniques.« less

Adsorption dynamics of CVD graphene investigated by a contactless microwave method

NASA Astrophysics Data System (ADS)

Black, N. C. G.; Rungger, I.; Li, B.; Maier, S. A.; Cohen, L. F.; Gallop, J. C.; Hao, L.

2018-07-01

We use a contactless microwave dielectric resonator gas sensing platform to study the adsorption dynamics of NO2 gas present in air onto a graphene surface. The use of microwaves removes the need for metal contacts that would otherwise be necessary for traditional conductivity measurements, and therefore allows non-invasive determination of NO2 concentrations to sub parts per million. As a result, gas‑metal interactions and localised graphene doping in the vicinity of metal contacts are eliminated, with the advantage that only graphene‑gas adsorbate interactions are responsible for the measured signal. We show that the sensor response for all considered concentrations can be described using a surface coverage dependent Langmuir model. We demonstrate that the possible variation of the NO2 binding energy, which is frequently considered as the main parameter, plays only a secondary role compared to the rising adsorption energy barrier with increasing NO2 coverage. The continuous distribution of the properties of the graphene adsorption sites used in the theoretical model is supported by our Kelvin probe and Raman surface analysis. Our results demonstrate that the non-invasive microwave method is a promising alternative platform for gas sensing. Moreover it provides valuable insights towards the understanding of the microscopic processes occurring in graphene based gas sensors, which is a key factor in the realization of reproducible and optimized device properties.

In situ cell culture monitoring on a Ti-6Al-4V surface by electrochemical techniques.

PubMed

García-Alonso, M C; Saldaña, L; Alonso, C; Barranco, V; Muñoz-Morris, M A; Escudero, M L

2009-05-01

In this work, the in situ interaction between Ti-6Al-4V alloy and osteoblastic cells has been studied by electrochemical techniques as a function of time. The interaction has been monitored for cell adhesion and growth of human osteoblastic Saos-2 cells on Ti-6Al-4V samples. The study has been carried out by electrochemical techniques, e.g., studying the evolution of corrosion potential with exposure time and by electrochemical impedance spectroscopy. The impedance results have been analyzed by using different equivalent circuit models that simulate the interface state at each testing time. The adhesion of the osteoblastic cells on the Ti-6Al-4V alloy leads to surface areas with different cell coverage rates, thus showing the different responses in the impedance diagrams with time. The effect of the cells on the electrochemical response of Ti-6Al-4V alloy is clearly seen after 4 days of testing, in which two isolated and well-differentiated time constants are clearly observed. One of these is associated with the presence of the cells and the other with a passive film on the Ti-6Al-4V alloy. After 7 days of culture, the system is governed by a resistive component over a wide frequency range which is associated with an increase in the cell coverage rate on the surface due to the extracellular matrix.

Contrasts in lithospheric structure within the Australian craton—insights from surface wave tomography

NASA Astrophysics Data System (ADS)

Fishwick, S.; Kennett, B. L. N.; Reading, A. M.

2005-03-01

Contrasts in the seismic structure of the lithosphere within and between elements of the Australian Craton are imaged using surface wave tomography. New data from the WACRATON and TIGGER experiments are integrated with re-processed data from previous temporary deployments of broad-band seismometers and permanent seismic stations. The much improved path coverage in critical regions allows an interpretation of structures in the west of Australia, and a detailed comparison between different cratonic regions. Improvements to the waveform inversion procedure and a new multi-scale tomographic method increase the reliability of the tomographic images. In the shallowest part of the model (75 km) a region of lowered velocity is imaged beneath central Australia, and confirmed by the delayed arrival times of body waves for short paths. Within the cratonic lithosphere there is clearly structure at scale lengths of a few hundred kilometres; resolution tests indicate that path coverage within the continent is sufficient to reveal features of this size in the upper part of our model. In Western Australia, differences are seen beneath and within the Archaean cratons: at depths greater than 150 km faster velocities are imaged beneath the Yilgarn Craton than beneath the Pilbara Craton. In the complex North Australian Craton a fast wavespeed anomaly continuing to at least 250 km is observed below parts of the craton, suggesting the possibility of Archaean lithosphere underlying areas of dominantly Proterozoic surface geology.

A first principles investigation of the oxygen adsorption on Zr(0001) surface using cluster expansions

NASA Astrophysics Data System (ADS)

Samin, Adib J.; Taylor, Christopher D.

2017-11-01

The design of corrosion resistant zircalloys is important for a variety of technological applications ranging from medicine to the nuclear industry. Since corrosion resistance is mainly attributed to the formation of a surface oxide layer, developing a detailed understanding of this process may assist in future corrosion resistance design. In this work, we conduct a systematic multi-scale investigation of the early stages of oxide formation. This was accomplished by first using a database of fully relaxed DFT calculations to build a cluster-expansion description of the potential function. The developed potential was reasonably good at predicting DFT energies as evidenced by the cross-validation score of 4.4 meV/site. The effective cluster expansion parameters were indicative of repulsive adsorbate interactions in the adlayer in agreement with the literature. The potential then allowed for a systematic investigation of the oxygen configurations on the Zr(0001) surface via Monte Carlo simulations. The adsorption energy was recorded as a function of coverage and an increasing trend was observed in agreement with DFT predictions and the repulsive nature of interactions in the adlayer. The convex hull diagram was recorded indicating the most stable configuration to occur around a coverage of 0.6 ML. The adsorption isotherm was also recorded and contrasted for two temperatures relevant for different applications.

CH4 dissociation in the early stage of graphene growth on Fe-Cu(100) surface: Theoretical insights

NASA Astrophysics Data System (ADS)

Tian, Baoyang; Liu, Tianhui; Yang, YanYan; Li, Kai; Wu, Zhijian; Wang, Ying

2018-01-01

The mechanism of CH4 dissociation and carbon nucleation process on the Fe doped Cu(100) surface were investigated systematically by using the density functional theory (DFT) calculations and microkinetic model. The activity of the Cu(100) surface was improved by the doped Fe atom and the atomic Fe on the Fe-Cu(100) surface was the reaction center due to the synergistic effect. In the dissociation process of CH4, CH3 → CH2 + H was regarded as the rate-determining step. The results obtained from the microkinetic model showed that the coverage of CHx(x = 1-3) was gradually decreased with the temperature increasing and CH3 was always the major intermediate at the broad range of the temperature (from 1035 to 1080 °C) and the ratio of H2/CH4 (from 0 to 5). It is also found that the reaction rates were increased with the temperature increasing. However, the reaction rates were reduced (or increased) at the range of H2/CH4 = 0-0.2 (or H2/CH4 > 0.2). It is noted that controlling the H2 partial pressure was an effective method to regulate the major intermediates and reaction rates of CH4 dissociation and further influence the growing process of graphene.

Leaflets and continual educational offerings led to increased coverage rate of newborn hearing screening in Akita.

PubMed

Sato, Teruyuki; Nakazawa, Misao; Takahashi, Shin; Mizuno, Tomomi; Sato, Akira; Noguchi, Atsuko; Sato, Megumi; Katagiri, Sadako; Yamada, Takechiyo

2018-08-01

Newborn hearing screening (NHS) has been actively performed in Japan since 2001. The NHS coverage rate has increased each year in Akita Prefecture. We analyzed the details of the NHS program and how the Akita leaflets and the many educational offerings about the importance of NHS led to the high NHS coverage rate. A retrospective study was conducted in liveborn newborns in hospitals and in clinics where hearing screening was performed from the program's beginning in 2001 through the end of 2015. We describe the chronological history of NHS. The outcome data of NHS were collected from our department and analyzed. From the founding of the program in 2001 to 2015, the live birth rate in Akita continually declined. Nevertheless, the number of infants receiving NHS rose each year. Since 2012, the coverage rate of NHS has been over 90%. From 2001 to 2015, 75,331 newborns constituted the eligible population for the NHS program. Since 2012, the number of NHS tests has stabilized. We prepared educational leaflets for Akita Prefecture early in 2002. We also provided many educational classes about the importance of NHS for not only pregnant women but also professionals including obstetricians and gynecologists, pediatricians and municipal staff members. The NHS program received the complete endorsement of the Akita Association of Obstetricians and Gynecologists in 2010. The largest increase in the NHS coverage rate occurred from 2001 to 2002, and the second largest increase occurred from 2009 to 2010. The number of participating institutions increased the coverage rate. The coverage rate is strongly correlated with the number of participating institutions (rs=0.843, p<0.001, Spearman's rank correlation coefficient). Comparing the coverage rate for 5 years before and after the Akita Association of Obstetricians and Gynecologists reached their consensus on the importance of NHS, the coverage rate after 2010 was significantly higher than before 2010 (p<0.001, paired sample t-test). The NHS coverage rate ultimately reached 95.4% without need for legislation or subsidization. The number of participating institutions increased each year, and the number of NHS tests and the coverage rate increased proportionately. The number of participating institutions statistically has a strong correlation with the number of NHS tests and the coverage rate. Our research indicates that the Akita leaflets and the provision of educational sessions about the importance of NHS were the most significant factors in establishing the high NHS coverage rate. Copyright © 2017 Elsevier B.V. All rights reserved.

Finding Blackbody Temperature and Emissivity on a Sub-Pixel Scale

NASA Astrophysics Data System (ADS)

Bernstein, D. J.; Bausell, J.; Grigsby, S.; Kudela, R. M.

2015-12-01

Surface temperature and emissivity provide important insight into the ecosystem being remotely sensed. Dozier (1981) proposed a an algorithm to solve for percent coverage and temperatures of two different surface types (e.g. sea surface, cloud cover, etc.) within a given pixel, with a constant value for emissivity assumed. Here we build on Dozier (1981) by proposing an algorithm that solves for both temperature and emissivity of a water body within a satellite pixel by assuming known percent coverage of surface types within the pixel. Our algorithm generates thermal infrared (TIR) and emissivity end-member spectra for the two surface types. Our algorithm then superposes these end-member spectra on emissivity and TIR spectra emitted from four pixels with varying percent coverage of different surface types. The algorithm was tested preliminarily (48 iterations) using simulated pixels containing more than one surface type, with temperature and emissivity percent errors of ranging from 0 to 1.071% and 2.516 to 15.311% respectively[1]. We then tested the algorithm using a MASTER image from MASTER collected as part of the NASA Student Airborne Research Program (NASA SARP). Here the temperature of water was calculated to be within 0.22 K of in situ data. The algorithm calculated emissivity of water with an accuracy of 0.13 to 1.53% error for Salton Sea pixels collected with MASTER, also collected as part of NASA SARP. This method could improve retrievals for the HyspIRI sensor. [1] Percent error for emissivity was generated by averaging percent error across all selected bands widths.

Exploring the effect of oxygen coverage on the electronic, magnetic and chemical properties of Ni(111) supported h-BN sheet: A density functional study

NASA Astrophysics Data System (ADS)

Wasey, A. H. M. Abdul; Das, G. P.; Majumder, C.

2017-05-01

Traditionally, h-BN is used as coating material to prevent corrosion on the metal surface. In sharp contrast to this, here we show catalytic behavior of h-BN monolayer deposited on Ni(111) surface, clearly demonstrating the influence of the support in modulation of h-BN electronic structure. Using first principles density functional theory we have studied the interaction of O2 molecules with the h-BN/Ni(111) surface. The activation of Osbnd O bond, which is the most important step for oxidative catalysis, showed dependence on the O2 coverage. Thus this study is extremely important to predict the optimum O2 pressure in reaction chamber for efficient catalysis.

Development of a surface plasmon resonance and nanomechanical biosensing hybrid platform for multiparametric reading

NASA Astrophysics Data System (ADS)

Alvarez, Mar; Fariña, David; Escuela, Alfonso M.; Sendra, Jose Ramón; Lechuga, Laura M.

2013-01-01

We have developed a hybrid platform that combines two well-known biosensing technologies based on quite different transducer principles: surface plasmon resonance and nanomechanical sensing. The new system allows the simultaneous and real-time detection of two independent parameters, refractive index change (Δn), and surface stress change (Δσ) when a biomolecular interaction takes place. Both parameters have a direct relation with the mass coverage of the sensor surface. The core of the platform is a common fluid cell, where the solution arrives to both sensor areas at the same time and under the same conditions (temperature, velocity, diffusion, etc.).The main objective of this integration is to achieve a better understanding of the physical behaviour of the transducers during sensing, increasing the information obtained in real time in one single experiment. The potential of the hybrid platform is demonstrated by the detection of DNA hybridization.

Development of a surface plasmon resonance and nanomechanical biosensing hybrid platform for multiparametric reading.

PubMed

Alvarez, Mar; Fariña, David; Escuela, Alfonso M; Sendra, Jose Ramón; Lechuga, Laura M

2013-01-01

We have developed a hybrid platform that combines two well-known biosensing technologies based on quite different transducer principles: surface plasmon resonance and nanomechanical sensing. The new system allows the simultaneous and real-time detection of two independent parameters, refractive index change (Δn), and surface stress change (Δσ) when a biomolecular interaction takes place. Both parameters have a direct relation with the mass coverage of the sensor surface. The core of the platform is a common fluid cell, where the solution arrives to both sensor areas at the same time and under the same conditions (temperature, velocity, diffusion, etc.).The main objective of this integration is to achieve a better understanding of the physical behaviour of the transducers during sensing, increasing the information obtained in real time in one single experiment. The potential of the hybrid platform is demonstrated by the detection of DNA hybridization.

Bioelectrochemistry of heme peptide at seamless three-dimensional carbon nanotubes/graphene hybrid films for highly sensitive electrochemical biosensing.

PubMed

Komori, Kikuo; Terse-Thakoor, Trupti; Mulchandani, Ashok

2015-02-18

A seamless three-dimensional hybrid film consisting of carbon nanotubes grown at the graphene surface (CNTs/G) is a promising material for the application to highly sensitive enzyme-based electrochemical biosensors. The CNTs/G film was used as a conductive nanoscaffold for enzymes. The heme peptide (HP) was immobilized on the surface of the CNTs/G film for amperometric sensing of H2O2. Compared with flat graphene electrodes modified with HP, the catalytic current for H2O2 reduction at the HP-modified CNTs/G electrode increased due to the increase in the surface coverage of HP. In addition, microvoids in the CNTs/G film contributed to diffusion of H2O2 to modified HP, resulting in the enhancement of the catalytic cathodic currents. The kinetics of the direct electron transfer from the CNTs/G electrode to compound I and II of modified HP was also analyzed.

Growth of Pd Nanoclusters on Single-Layer Graphene on Cu(111)

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

Soy, Esin; Guisinger, Nathan P.; Trenary, Michael

We report scanning tunneling microscopy results on the nucleation and growth of Pd nanoclusters on a single layer of graphene on the Cu(111) surface. The shape, organization, and structural evolution of the Pd nanoclusters were investigated using two different growth methods, continuous and stepwise. The size and shape of the formed nanoclusters were found to greatly depend on the growth technique used. The size and density of spherical Pd nanoclusters increased with increasing coverage during stepwise deposition as a result of coarsening of existing clusters and continued nucleation of new clusters. In contrast, continuous deposition gave rise to well-defined triangularmore » Pd clusters as a result of anisotropic growth on the graphene surface. Exposure to ethylene caused a decrease in the size of the Pd clusters. As a result, this is attributed to the exothermic formation of ethylidyne on the cluster surfaces and an accompanying weakening of the Pd–Pd bonding.« less

Growth of Pd Nanoclusters on Single-Layer Graphene on Cu(111)

DOE PAGES

Soy, Esin; Guisinger, Nathan P.; Trenary, Michael

2017-07-05

We report scanning tunneling microscopy results on the nucleation and growth of Pd nanoclusters on a single layer of graphene on the Cu(111) surface. The shape, organization, and structural evolution of the Pd nanoclusters were investigated using two different growth methods, continuous and stepwise. The size and shape of the formed nanoclusters were found to greatly depend on the growth technique used. The size and density of spherical Pd nanoclusters increased with increasing coverage during stepwise deposition as a result of coarsening of existing clusters and continued nucleation of new clusters. In contrast, continuous deposition gave rise to well-defined triangularmore » Pd clusters as a result of anisotropic growth on the graphene surface. Exposure to ethylene caused a decrease in the size of the Pd clusters. As a result, this is attributed to the exothermic formation of ethylidyne on the cluster surfaces and an accompanying weakening of the Pd–Pd bonding.« less

Quad-Tree Visual-Calculus Analysis of Satellite Coverage

NASA Technical Reports Server (NTRS)

Lo, Martin W.; Hockney, George; Kwan, Bruce

2003-01-01

An improved method of analysis of coverage of areas of the Earth by a constellation of radio-communication or scientific-observation satellites has been developed. This method is intended to supplant an older method in which the global-coverage-analysis problem is solved from a ground-to-satellite perspective. The present method provides for rapid and efficient analysis. This method is derived from a satellite-to-ground perspective and involves a unique combination of two techniques for multiresolution representation of map features on the surface of a sphere.

Full-coverage film cooling: 3-dimensional measurements of turbulence structure and prediction of recovery region hydrodynamics

NASA Technical Reports Server (NTRS)

Yavuzkurt, S.; Moffat, R. J.; Kays, W. M.

1979-01-01

Hydrodynamic measurements were made with a triaxial hot-wire in the full-coverage region and the recovery region following an array of injection holes inclined downstream, at 30 degrees to the surface. The data were taken under isothermal conditions at ambient temperature and pressure for two blowing ratios: M = 0.9 and M = 0.4. Profiles of the three main velocity components and the six Reynolds stresses were obtained at several spanwise positions at each of the five locations down the test plate. A one-equation model of turbulence (using turbulent kinetic energy with an algebraic mixing length) was used in a two-dimensional computer program to predict the mean velocity and turbulent kinetic energy profiles in the recovery region. A new real-time hotwire scheme was developed to make measurements in the three-dimensional turbulent boundary layer over the full-coverage surface.

Estimation of the fractional coverage of rainfall in climate models

NASA Technical Reports Server (NTRS)

Eltahir, E. A. B.; Bras, R. L.

1993-01-01

The fraction of the grid cell area covered by rainfall, mu, is an essential parameter in descriptions of land surface hydrology in climate models. A simple procedure is presented for estimating this fraction, based on extensive observations of storm areas and rainfall volumes. Storm area and rainfall volume are often linearly related; this relation can be used to compute the storm area from the volume of rainfall simulated by a climate model. A formula is developed for computing mu, which describes the dependence of the fractional coverage of rainfall on the season of the year, the geographical region, rainfall volume, and the spatial and temporal resolution of the model. The new formula is applied in computing mu over the Amazon region. Significant temporal variability in the fractional coverage of rainfall is demonstrated. The implications of this variability for the modeling of land surface hydrology in climate models are discussed.

Impervious Surfaces Alter Soil Bacterial Communities in Urban Areas: A Case Study in Beijing, China

PubMed Central

Hu, Yinhong; Dou, Xiaolin; Li, Juanyong; Li, Feng

2018-01-01

The rapid expansion of urbanization has caused land cover change, especially the increasing area of impervious surfaces. Such alterations have significant effects on the soil ecosystem by impeding the exchange of gasses, water, and materials between soil and the atmosphere. It is unclear whether impervious surfaces have any effects on soil bacterial diversity and community composition. In the present study, we conducted an investigation of bacterial communities across five typical land cover types, including impervious surfaces (concrete), permeable pavement (bricks with round holes), shrub coverage (Buxus megistophylla Levl.), lawns (Festuca elata Keng ex E. Alexeev), and roadside trees (Sophora japonica Linn.) in Beijing, to explore the response of bacteria to impervious surfaces. The soil bacterial communities were addressed by high-throughput sequencing of the bacterial 16S rRNA gene. We found that Proteobacteria, Actinobacteria, Acidobacteria, Bacteroidetes, Chloroflexi, and Firmicutes were the predominant phyla in urban soils. Soil from impervious surfaces presented a lower bacterial diversity, and differed greatly from other types of land cover. Soil bacterial diversity was predominantly affected by Zn, dissolved organic carbon (DOC), and soil moisture content (SMC). The composition of the bacterial community was similar under shrub coverage, roadside trees, and lawns, but different from beneath impervious surfaces and permeable pavement. Variance partitioning analysis showed that edaphic properties contributed to 12% of the bacterial community variation, heavy metal pollution explained 3.6% of the variation, and interaction between the two explained 33% of the variance. Together, our data indicate that impervious surfaces induced changes in bacterial community composition and decrease of bacterial diversity. Interactions between edaphic properties and heavy metals were here found to change the composition of the bacterial community and diversity across areas with different types of land cover, and soil properties play a more important role than heavy metals. PMID:29545776

Human fibrinogen adsorption on positively charged latex particles.

PubMed

Zeliszewska, Paulina; Bratek-Skicki, Anna; Adamczyk, Zbigniew; Cieśla, Michał

2014-09-23

Fibrinogen (Fb) adsorption on positively charged latex particles (average diameter of 800 nm) was studied using the microelectrophoretic and the concentration depletion methods based on AFM imaging. Monolayers on latex were adsorbed from diluted bulk solutions at pH 7.4 and an ionic strength in the range of 10(-3) to 0.15 M where fibrinogen molecules exhibited an average negative charge. The electrophoretic mobility of the latex after controlled fibrinogen adsorption was systematically measured. A monotonic decrease in the electrophoretic mobility of fibrinogen-covered latex was observed for all ionic strengths. The results of these experiments were interpreted according to the three-dimensional electrokinetic model. It was also determined using the concentration depletion method that fibrinogen adsorption was irreversible and the maximum coverage was equal to 0.6 mg m(-2) for ionic strength 10(-3) M and 1.3 mg m(-2) for ionic strength 0.15 M. The increase of the maximum coverage was confirmed by theoretical modeling based on the random sequential adsorption approach. Paradoxically, the maximum coverage of fibrinogen on positively charged latex particles was more than two times lower than the maximum coverage obtained for negative latex particles (3.2 mg m(-2)) at pH 7.4 and ionic strength of 0.15 M. This was interpreted as a result of the side-on adsorption of fibrinogen molecules with their negatively charged core attached to the positively charged latex surface. The stability and acid base properties of fibrinogen monolayers on latex were also determined in pH cycling experiments where it was observed that there were no irreversible conformational changes in the fibrinogen monolayers. Additionally, the zeta potential of monolayers was more positive than the zeta potential of fibrinogen in the bulk, which proves a heterogeneous charge distribution. These experimental data reveal a new, side-on adsorption mechanism of fibrinogen on positively charged surfaces and confirmed the decisive role of electrostatic interactions in this process.

Effects of ACA Medicaid Expansions on Health Insurance Coverage and Labor Supply.

PubMed

Kaestner, Robert; Garrett, Bowen; Chen, Jiajia; Gangopadhyaya, Anuj; Fleming, Caitlyn

We examined the effect of the expansion of Medicaid eligibility under the Affordable Care Act on health insurance coverage and labor supply of low-educated and low-income adults. We found that the Medicaid expansions were associated with large increases in Medicaid coverage, for example, 50 percent among childless adults, and corresponding decreases in the proportion uninsured. There was relatively little change in private insurance coverage, although the expansions tended to decrease such coverage slightly. In terms of labor supply, estimates indicated that the Medicaid expansions had little effect on work effort despite the substantial changes in health insurance coverage. Most estimates suggested that the expansions increased work effort, although not significantly.

Bi-functional ion exchangers for enhanced performance of dye-sensitized solar cells.

PubMed

Kong, Eui-Hyun; Chang, Yong-June; Lim, Jongchul; Kim, Back-Hyun; Lee, Jung-Hoon; Kwon, Do-Kyun; Park, Taiho; Jang, Hyun Myung

2013-07-28

Ion exchange using aerosol OT (AOT) offers dye adsorption twice as fast as known methods. Moreover, it suppresses the dye-agglomeration that may cause insufficient dye-coverage on the photoelectrode surface. Consequently, its dual function of fast dye-loading and higher dye-coverage significantly improves the power conversion efficiency of dye-sensitized solar cells.

Continuous strife for better coverage and more details in ocean surface winds measurements - from Midori and ADEOS-2 to GCOM

NASA Technical Reports Server (NTRS)

Xie, X.; Liu, W.; Hu, H.; Tang, W.

2001-01-01

The series of joint U.S.-Japan spaceborne scatterometers missions to provide continuous measurements of ocean wind vectors is reviewed. Examples of the scientific impact of the continuous effort in improving spatial resolution and coverage are provided. The plan for the future is reviewed.

[Effects of climate and land use change on the changes of vegetation coverage in farming-pastoral ecotone of Northern China].

PubMed

Liu, Jun-Hui; Gao, Ji-Xi

2008-09-01

Based on the remote sensing images and the meteorological data in 1986 and 2000, and by using the model of extracting vegetation coverage, the spatiotemporal changes of vegetation coverage in the farming-pastoral ecotone of Northern China in 1986-2000 were studied, with the effects of climate and land use change on the changes analyzed. The results showed that in this ecotone, the area with lower vegetation coverage was increasing, while that with higher vegetation coverage was in adverse. The regions with increasing vegetation coverage were mainly in the east of northeast section, the west of north section, and the west of northwest section of the ecotone, while the vegetation coverage in the other sections was obviously degraded. The vegetation coverage were positively correlated with precipitation and aridity index, but negatively correlated with temperature. The change direction and extent of the vegetation coverage varied with land use types.

Electrophoretic deposition of graphene oxide on magnetic ribbon: Toward high sensitive and selectable magnetoimpedance response

NASA Astrophysics Data System (ADS)

Jamilpanah, L.; Azadian, S.; Shoa e Gharehbagh, J.; Haghniaz Jahromi, S.; Sheykhifard, Z.; Hosseinizadeh, S.; Erfanifam, S.; Hajiali, M. R.; Tehranchi, M. M.; Mohseni, S. M.

2018-07-01

Graphene oxide (GO) layers have shown to be fascinating elements for application in high performance sensors. They can be applied in multi-disciplinary designs based on surface selective sensing mechanisms. One immediate application of such surface sensitive elements is implementing of GO layer in magnetoimpedance (MI) sensors to improve their multi-functionality. In this paper, deposition of GO on the surface of Co-based amorphous ribbons (Co68.15Fe4.35Si12.5B15) is performed using electrophoretic deposition (EPD) method to evaluate the MI response. MI ratio increased from 271% (bare ribbon) up to 281% and 301% EPD GO deposited within 4 and 8 min, respectively. Similar experiment for the ribbon drop coated with GO was carried out while no enhancement in MI response was seen. Vertical growth of GO on the surface of the ribbon in EPD and drop coated layers observed by topographical measurements. We explained the difference between the MI responses based on layers verticality and surface coverage. UV-Visible absorption and Raman spectroscopy were used to study the nature of GO. Gaining a high surface area of GO along with their biocompatible and anticorrosive properties atop the MI sensors can open pathways towards increasing applications of surface selective and high sensitive MI sensors.

Surface Flooding from Hurricane Harvey Shown in New SMAP Imagery

NASA Image and Video Library

2017-08-30

A new series of images generated with data from NASA's Soil Moisture Active Passive (SMAP) satellite illustrate the surface flooding caused by Hurricane Harvey from before its initial landfall through August 27, 2017. The SMAP observations detect the proportion of the ground covered by surface water within the satellite's field of view. The sequence of images depicts successive satellite orbital swath observations showing the surface water conditions on August 22, before Harvey's landfall (left), and then on Aug. 27, two days after landfall (middle). The resulting increase in surface flooding from record rainfall over the three-day period, shown at right, depicts regionally heavy flooding around the Houston metropolitan area. The hardest hit areas (blue and purple shades) cover more than 23,000 square miles (about 59,600 square kilometers) and indicate a more than 1,000-fold increase in surface water cover from rainfall-driven flooding. SMAP's low-frequency (L-band) microwave radiometer features enhanced capabilities for detecting surface water changes in nearly all weather conditions and under low-to-moderate vegetation cover. The satellite provides global coverage with one to three-day repeat sampling, which is well suited for monitoring dynamic inland waters around the world. https://photojournal.jpl.nasa.gov/catalog/PIA21930

Early interactions between leukocytes and three different potentially bioactive titanium surface modifications.

PubMed

Arvidsson, Anna; Malmberg, Per; Kjellin, Per; Currie, Fredrik; Arvidsson, Martin; Franke Stenport, Victoria

2011-05-01

The aim of the present study was to compare the early interactions between leukocytes and three different surface modifications, suggested as bioactive. Blasted titanium discs were modified by alkali and heat treatment, sodium fluoride treatment, or hydroxyapatite coating. A number of these discs were also immersed in simulated body fluid (SBF) for a week, a treatment which yielded high levels of calcium and phosphate on each surface type. The specimens were exposed for human venous blood for 32 minutes and the respiratory burst response was measured in terms of reactive oxygen species with a luminometer, and coverage of viable cells with a fluorescence microscope after staining steps. The topography, morphology, and chemistry of the surfaces were evaluated with optical interferometry and scanning electron microscopy/energy dispersive X-ray analysis (SEM/EDX). A high respiratory burst response was found for HA coated titanium in comparison with the other surface groups (p < 0.0005). The SBF immersion resulted in an increased respiratory burst response (p < 0.0005) and removed statistically significant differences between the surface groups. Thus, the results in the present study indicate that different titanium surface modifications influence the early inflammatory response differently, and that calcium phosphate compounds increase the inflammatory response. Copyright © 2011 Wiley Periodicals, Inc.

Activated adsorption of methane on clean and oxygen-modified Pt?111? and Pd?110?

NASA Astrophysics Data System (ADS)

Valden, M.; Pere, J.; Hirsimäki, M.; Suhonen, S.; Pessa, M.

1997-04-01

Activated adsorption of CH 4 on clean and oxygen modified Pt{111} and Pd{110} has been studied using molecular beam surface scattering. The absolute dissociation probability of CH 4 was measured as a function of the incident normal energy ( E) and the surface temperature ( Ts). The results from clean Pt{111} and Pd{110} are consistent with a direct dissociation mechanism. The dissociative chemisorption dynamics of CH 4 is addressed by using quantum mechanical and statistical models. The influence of adsorbed oxygen on the dissociative adsorption of CH 4 on both Pt{111} and Pd{110} shows that the dissociation probability decreases linearly with increasing oxygen coverage.

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

Jagannathan, Kaushik; Benson, David M.; Robinson, David B.

Nanofilms of Pd were grown using an electrochemical form of atomic layer deposition (E-ALD) on 100 nm evaporated Au films on glass. Multiple cycles of surface-limited redox replacement (SLRR) were used to grow deposits. Each SLRR involved the underpotential deposition (UPD) of a Cu atomic layer, followed by open circuit replacement via redox exchange with tetrachloropalladate, forming a Pd atomic layer: one E-ALD deposition cycle. That cycle was repeated in order to grow deposits of a desired thickness. 5 cycles of Pd deposition were performed on the Au on glass substrates, resulting in the formation of 2.5 monolayers of Pd.more » Those Pd films were then modified with varying coverages of Pt, also formed using SLRR. The amount of Pt was controlled by changing the potential for Cu UPD, and by increasing the number of Pt deposition cycles. Hydrogen absorption was studied using coulometry and cyclic voltammetry in 0.1 M H 2SO 4 as a function of Pt coverage. The presence of even a small fraction of a Pt monolayer dramatically increased the rate of hydrogen desorption. However, this did not reduce the films’ hydrogen storage capacity. The increase in desorption rate in the presence of Pt was over an order of magnitude.« less

Diurnal changes in urban boundary layer environment induced by urban greening

NASA Astrophysics Data System (ADS)

Song, Jiyun; Wang, Zhi-Hua

2016-11-01

Urban green infrastructure has been widely used for mitigating adverse environmental problems as well as enhancing urban sustainability of cities worldwide. Here we develop an integrated urban-land-atmosphere modeling framework with the land surface processes parameterized by an advanced urban canopy model and the atmospheric processes parameterized by a single column model. The model is then applied to simulate a variety of forms of green infrastructure, including urban lawns, shade trees, green and cool roofs, and their impact on environmental changes in the total urban boundary layer (UBL) for a stereotypical desert city, viz. Phoenix, Arizona. It was found that green roofs have a relatively uniform cooling effect proportional to their areal coverage. In particular, a reduction of UBL temperature of 0.3 °C and 0.2 °C per 10% increase of green roof coverage was observed at daytime and nighttime, respectively. In contrast, the effect of greening of street canyons is constrained by the overall abundance of green infrastructure and the energy available for evapotranspiration. In addition, the increase in urban greening causes boundary-layer height to decrease during daytime but increase at nighttime, leading to different trends of changes in urban air quality throughout a diurnal cycle.

Impact of the CDC’s Section 317 Immunization Grants Program Funding on Childhood Vaccination Coverage

PubMed Central

Rein, David B.; Honeycutt, Amanda A.; Rojas-Smith, Lucia; Hersey, James C.

2006-01-01

The Centers for Disease Control and Prevention’s Section 317 Grants Program is the main source of funding for state and jurisdictional immunization programs, yet no study has evaluated its direct impact on vaccination coverage rates. Therefore, we used a fixed-effects model and data collected from 56 US jurisdictions to estimate the impact of Section 317 financial assistance immunization grants on childhood vaccination coverage rates from 1997 to 2003. Our results showed that increases in Section 317 funding were significantly and meaningfully associated with higher rates of vaccination coverage; a $10 increase in per capita funding corresponded with a 1.6-percentage-point increase in vaccination coverage. Policymakers charged with funding public health programs should consider this study’s findings, which indicate that money allocated to vaccine activities translates directly into higher vaccine coverage rates. PMID:16873738

Overview of Global, Regional, and National Routine Vaccination Coverage Trends and Growth Patterns From 1980 to 2009: Implications for Vaccine-Preventable Disease Eradication and Elimination Initiatives

PubMed Central

Wallace, Aaron S.; Ryman, Tove K.; Dietz, Vance

2015-01-01

Background Review of the historical growth in annual vaccination coverage across countries and regions can better inform decision makers’ development of future goals and strategies to improve routine vaccination services. Methods Using the World Health Organization (WHO) and the United Nations Children's Fund estimates of annual national third dose of diphtheria-tetanus-pertussis–containing vaccine (DTP3) and third dose of polio vaccine (POL3) coverage for 1980–2009, we calculated the mean absolute annual rate of change in national DTP3 coverage among all countries (globally) and among countries within each WHO region, as well as the number of years taken by each region to reach specific regional coverage levels. Last, we assessed differences in mean absolute annual rate of change in DTP3 coverage, stratified by baseline level of DTP3 coverage. Results During the 1980s, global DTP3 coverage increased a mean of 5.3 percentage points/year. Annual rate of change decreased to 0.5 percentage points/year in the 1990s and then increased to 0.9 percentage points/year during the 2000s. Mean annual rate of change in coverage across all countries was highest (9.2 percentage points) when national coverage levels were 26%–30% and lowest (−0.9 percentage points) when national coverage levels were 96%–100%. Regional differences existed as both WHO South-East Asia Region and WHO African Region countries experienced mean negative DTP3 coverage growth at lower coverage levels (81%–85%) than other regions. The regions that have achieved 95% DTP3 coverage (Americas, Western Pacific, and European) took 25–29 years to reach that level from a level of 50% DTP3 coverage. POL3 coverage change trends were similar to described DTP3 coverage change trends. Conclusions Mean national coverage growth patterns across all regions are nonlinear as coverage levels increase. Saturation points of mean 0 percentage-point growth in annual coverage varies by region and require further investigation. The achievement of >90% routine coverage is observed to take decades, which has implications for disease eradication and elimination initiatives. PMID:25316875

Nonphotosynthetic Pigments as Potential Biosignatures

PubMed Central

Cockell, Charles S.; Meadows, Victoria S.

2015-01-01

Abstract Previous work on possible surface reflectance biosignatures for Earth-like planets has typically focused on analogues to spectral features produced by photosynthetic organisms on Earth, such as the vegetation red edge. Although oxygenic photosynthesis, facilitated by pigments evolved to capture photons, is the dominant metabolism on our planet, pigmentation has evolved for multiple purposes to adapt organisms to their environment. We present an interdisciplinary study of the diversity and detectability of nonphotosynthetic pigments as biosignatures, which includes a description of environments that host nonphotosynthetic biologically pigmented surfaces, and a lab-based experimental analysis of the spectral and broadband color diversity of pigmented organisms on Earth. We test the utility of broadband color to distinguish between Earth-like planets with significant coverage of nonphotosynthetic pigments and those with photosynthetic or nonbiological surfaces, using both 1-D and 3-D spectral models. We demonstrate that, given sufficient surface coverage, nonphotosynthetic pigments could significantly impact the disk-averaged spectrum of a planet. However, we find that due to the possible diversity of organisms and environments, and the confounding effects of the atmosphere and clouds, determination of substantial coverage by biologically produced pigments would be difficult with broadband colors alone and would likely require spectrally resolved data. Key Words: Biosignatures—Exoplanets—Halophiles—Pigmentation—Reflectance spectroscopy—Spectral models. Astrobiology 15, 341–361. PMID:25941875

Method for lubricating contacting surfaces

DOEpatents

Dugger, Michael T [Tijeras, NM; Ohlhausen, James A [Albuquerque, NM; Asay, David B [Boalsburg, PA; Kim, Seong H [State College, PA

2011-12-06

A method is provided for tribological lubrication of sliding contact surfaces, where two surfaces are in contact and in motion relative to each other, operating in a vapor-phase environment containing at least one alcohol compound at a concentration sufficiently high to provide one monolayer of coverage on at least one of the surfaces, where the alcohol compound continuously reacts at the surface to provide lubrication.

Identification of the nitrogen-based blister agents bis(2-chloroethyl)methylamine (HN-2) and tris(2-chloroethyl)amine (HN-3) and their hydrolysis products on soil using ion trap secondary ion mass spectrometry.

PubMed

Gresham, G L; Groenewold, G S; Olson, J E

2000-12-01

The nitrogen blister agents HN-2 (bis(2-chloroethyl)methylamine) and HN-3 (tris(2-chloroethyl)amine) were directly analyzed on the surface of soil samples using ion trap secondary ion mass spectrometry (SIMS). In the presence of water, HN-1 (bis(2-choroethyl)ethylamine), HN-2 and HN-3 undergo hydrolysis to form N-ethyldiethanolamine, N-methyldiethanolamine and triethanolamine (TEA), respectively; these compounds can be readily detected as adsorbed species on soil particles. When soil samples spiked with HN-3 in alcohol were analyzed, 2-alkoxyethylamine derivatives were observed on the sample surfaces. This result shows that nitrogen blister agents will undergo condensation reactions with nucleophilic compounds and emphasizes the need for an analytical methodology capable of detecting a range of degradation and condensation products on environmental surfaces. The ability of ion trap SIMS to isolate and accumulate ions, and then perform tandem mass spectrometric analysis improves the detection of low-abundance surface contaminants and the selectivity of the technique. Utilizing these techniques, the limits of detection for HN-3 were studied as a function of surface coverage. It was found that HN-3 could be detected at a surface coverage of 0.01 monolayer, which corresponds to 20 ppm (mass/mass) for a soil having a surface area of 2.2 m(2) g(-1). TEA, the exhaustive hydrolysis product of HN-3, was detected at a surface coverage of 0.001 monolayer, which corresponds to 0.86 ppm. Copyright 2000 John Wiley & Sons, Ltd.

Self-assembled monolayer structures of hexadecylamine on Cu surfaces: density-functional theory.

PubMed

Liu, Shih-Hsien; Balankura, Tonnam; Fichthorn, Kristen A

2016-12-07

We used dispersion-corrected density-functional theory to probe possible structures for adsorbed layers of hexadecylamine (HDA) on Cu(100) and Cu(111). HDA forms self-assembled layers on these surfaces, analogous to alkanethiols on various metal surfaces, and it binds by donating electrons in the amine group to the Cu surface atoms, consistent with experiment. van der Waals interactions between the alkyl tails of HDA molecules are stronger than the interaction between the amine group and the Cu surfaces. Strong HDA-tail interactions lead to coverage-dependent tilting of the HDA layers, such that the tilt angle is larger for lower coverages. At full monolayer coverage, the energetically preferred binding configuration for HDA on Cu(100) is a (5 × 3) pattern - although we cannot rule out incommensurate structures - while the pattern is preferred on Cu(111). A major motivation for this study is to understand the experimentally observed capability of HDA as a capping agent for producing {100}-faceted Cu nanocrystals. Consistent with experiment, we find that HDA binds more strongly to Cu(100) than to Cu(111). This strong binding stems from the capability of HDA to form more densely packed layers on Cu(100), which leads to stronger HDA-tail interactions, as well as the stronger binding of the amine group to Cu(100). We estimate the surface energies of HDA-covered Cu(100) and Cu(111) surfaces and find that these surfaces are nearly isoenergetic. By drawing analogies to previous theoretical work, it seems likely that HDA-covered Cu nanocrystals could have kinetic shapes that primarily express {100} facets, as is seen experimentally.

Density-functional theory study of the initial oxygen incorporation in Pd(111)

NASA Astrophysics Data System (ADS)

Todorova, Mira; Reuter, Karsten; Scheffler, Matthias

2005-05-01

Pd(111) has recently been shown to exhibit a propensity to form a subnanometer thin surface oxide film already well before a full monolayer coverage of adsorbed O atoms is reached on the surface. Aiming at an atomic-scale understanding of this finding, we study the initial oxygen incorporation into the Pd(111) surface using density-functional theory. We find that oxygen incorporation into the sub-surface region starts at essentially the same coverage as formation of the surface oxide. This implies that the role of sub-surface oxygen should be considered as that of a metastable precursor in the oxidation process of the surface. The mechanisms found to play a role towards the ensuing stabilization of an ordered oxidic structure with a mixed on-surface/sub-surface site occupation follow a clear trend over the late 4d transition metal series, as seen by comparing our data to previously published studies concerned with oxide formation at the basal surface of Ru, Rh, and Ag. The formation of a linearly aligned O-TM-O trilayered structure (TM=Ru,Rh,Pd,Ag) , together with an efficient coupling to the underlying substrate seem to be key ingredients in this respect.

Flow-induced detachment of red blood cells adhering to surfaces by specific antigen-antibody bonds.

PubMed

Xia, Z; Goldsmith, H L; van de Ven, T G

1994-04-01

Fixed spherical swollen human red blood cells of blood type B adhering on a glass surface through antigen-antibody bonds to monoclonal mouse antihuman IgM, adsorbed or covalently linked on the surface, were detached by known hydrodynamic forces created in an impinging jet. The dynamic process of detachment of the specifically bound cells was recorded and analyzed. The fraction of adherent cells remaining on the surface decreased with increasing hydrodynamic force. For an IgM coverage of 0.26%, a tangential force on the order of 100 pN was able to detach almost all of the cells from the surface within 20 min. After a given time of exposure to hydrodynamic force, the fraction of adherent cells remaining increased with time, reflecting an increase in adhesion strength. The characteristic time for effective aging was approximately 4 h. Results from experiments in which the adsorbed antibody molecules were immobilized through covalent coupling and from evanescent wave light scattering of adherent cells, imply that deformation of red cells at the contact area was the principal cause for aging, rather than local clustering of the antibody through surface diffusion. Experiments with latex beads specifically bound to red blood cells suggest that, instead of breaking the antigen-antibody bonds, antigen molecules were extracted from the cell membrane during detachment.

Interaction Mechanisms between Air Bubble and Molybdenite Surface: Impact of Solution Salinity and Polymer Adsorption.

PubMed

Xie, Lei; Wang, Jingyi; Yuan, Duowei; Shi, Chen; Cui, Xin; Zhang, Hao; Liu, Qi; Liu, Qingxia; Zeng, Hongbo

2017-03-07

The surface characteristics of molybdenite (MoS 2 ) such as wettability and surface interactions have attracted much research interest in a wide range of engineering applications, such as froth flotation. In this work, a bubble probe atomic force microscope (AFM) technique was employed to directly measure the interaction forces between an air bubble and molybdenite mineral surface before/after polymer (i.e., guar gum) adsorption treatment. The AFM imaging showed that the polymer coverage on the surface of molybdenite could achieve ∼5.6, ∼44.5, and ∼100% after conditioning in 1, 5, and 10 ppm polymer solution, respectively, which coincided with the polymer coverage results based on contact angle measurements. The electrolyte concentration and surface treatment by polymer adsorption were found to significantly affect bubble-mineral interaction and attachment. The experimental force results on bubble-molybdenite (without polymer treatment) agreed well with the calculations using a theoretical model based on the Reynolds lubrication theory and augmented Young-Laplace equation including the effect of disjoining pressure. The overall surface repulsion was enhanced when the NaCl concentration decreased from 100 to 1 mM, which inhibited the bubble-molybdenite attachment. After conditioning the molybdenite surface in 1 ppm polymer solution, it was more difficult for air bubbles to attach to the molybdenite surface due to the weakened hydrophobic interaction with a shorter decay length. Increasing the polymer concentration to 5 ppm effectively inhibited bubble attachment on mineral surface, which was mainly due to the much reduced hydrophobic interaction as well as the additional steric repulsion between the extended polymer chains and bubble surface. The results provide quantitative information on the interaction mechanism between air bubbles and molybdenite mineral surfaces on the nanoscale, with useful implications for the development of effective polymer depressants and fundamental understanding of bubble-solid interactions in mineral flotation. The methodologies used in this work can be readily extended to studying similar interfacial interactions in many other engineering applications such as froth flotation deinking and bitumen extraction in oil sands industry.

Coverage gap in maternal and child health services in India: assessing trends and regional deprivation during 1992-2006.

PubMed

Kumar, Chandan; Singh, Prashant Kumar; Rai, Rajesh Kumar

2013-12-01

Increasing the coverage of key maternal, newborn and child health interventions is essential, if India has to attain Millennium Development Goals 4 and 5. This study assesses the coverage gap in maternal and child health services across states in India during 1992-2006 emphasizing the rural-urban disparities. Additionally, association between the coverage gap and under-5 mortality rate across states are illustrated. The three waves of National Family Health Survey (NFHS) conducted during 1992-1993 (NFHS-1), 1998-1999 (NFHS-2) and 2005-2006 (NFHS-3) were used to construct a composite index of coverage gap in four areas of health-care interventions: family planning, maternal and newborn care, immunization and treatment of sick children. The central, eastern and northeastern regions of India reported a higher coverage gap in maternal and child health care services during 1992-2006, while the rural-urban difference in the coverage gap has increased in Gujarat, Haryana, Rajasthan and Kerala over the period. The analysis also shows a significant positive relationship between the coverage gap index and under-five mortality rate across states. Region or area-specific focus in order to increase the coverage of maternal and child health care services in India should be the priority of the policy-makers and programme executors.

Electron-stimulated reactions in nanoscale water films adsorbed on α-Al 2O 3 (0001)

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

Petrik, Nikolay G.; Kimmel, Gregory A.

The radiation-induced decomposition and desorption of nanoscale amorphous solid water (D2O) films adsorbed on -Al2O3(0001) surface was studied at low temperature in ultrahigh vacuum using temperature programmed desorption (TPD) and electron stimulated desorption (ESD) with a mono-energetic, low energy electron source. ESD yields of molecular products ( D2, O2 and D¬2O) and the total sputtering yield increased with increasing D2O coverage up to ~15 water monolayers (i.e. ~15 1015 cm-2) to a coverage-independent level for thicker water films. Experiments with isotopically-layered water films (D2O and H2O) demonstrated that the highest water decomposition yields occurred at the interfaces of the nanoscalemore » water films with the alumina substrate and vacuum. However, the increased reactivity of the water/alumina interface is relatively small compared to the enhancements in the non-thermal reactions previously observed at the water/Pt(111) and water/TiO2(110) interfaces. We propose that the relatively low activity of Al2O3(0001) for the radiation-induced production of molecular hydrogen is associated with lower reactivity of this surface with hydrogen atoms, which are likely precursors for the molecular hydrogen.100 eV electrons are stopped in the H 2O portion of the isotopically-layered nanoscale film on α-Al 2O 3(0001) but D 2is produced at the D 2O/alumina interface by mobile electronic excitations and/or hydronium ions.« less

The role of ion exchange in the passivation of In(Zn)P nanocrystals with ZnS

PubMed Central

Cho, Deok-Yong; Xi, Lifei; Boothroyd, Chris; Kardynal, Beata; Lam, Yeng Ming

2016-01-01

We have investigated the chemical state of In(Zn)P/ZnS core/shell nanocrystals (NCs) for color conversion applications using hard X-ray absorption spectroscopy (XAS) and photoluminescence excitation (PLE). Analyses of the edge energies as well as the X-ray absorption fine structure (XAFS) reveal that the Zn2+ ions from ZnS remain in the shell while the S2− ions penetrate into the core at an early stage of the ZnS deposition. It is further demonstrated that for short growth times, the ZnS shell coverage on the core was incomplete, whereas the coverage improved gradually as the shell deposition time increased. Together with evidence from PLE spectra, where there is a strong indication of the presence of P vacancies, this suggests that the core-shell interface in the In(Zn)P/ZnS NCs are subject to substantial atomic exchanges and detailed models for the shell structure beyond simple layer coverage are needed. This substantial atomic exchange is very likely to be the reason for the improved photoluminescence behavior of the core-shell particles compare to In(Zn)P-only NCs as S can passivate the NCs surfaces. PMID:26972936

Measurements of tungsten migration in the DIII-D divertor

NASA Astrophysics Data System (ADS)

Wampler, W. R.; Rudakov, D. L.; Watkins, J. G.; McLean, A. G.; Unterberg, E. A.; Stangeby, P. C.

2017-12-01

An experimental study of migration of tungsten in the DIII-D divertor is described, in which the outer strike point of L-mode plasmas was positioned on a toroidal ring of tungsten-coated metal inserts. Net deposition of tungsten on the divertor just outside the strike point was measured on graphite samples exposed to various plasma durations using the divertor materials evaluation system. Tungsten coverage, measured by Rutherford backscattering spectroscopy (RBS), was found to be low and nearly independent of both radius and exposure time closer to the strike point, whereas farther from the strike point the W coverage was much larger and increased with exposure time. Depth profiles from RBS show this was due to accumulation of thicker mixed-material deposits farther from the strike point where the plasma temperature is lower. These results are consistent with a low near-surface steady-state coverage on graphite undergoing net erosion, and continuing accumulation in regions of net deposition. This experiment provides data needed to validate, and further improve computational simulations of erosion and deposition of material on plasma-facing components and transport of impurities in magnetic fusion devices. Such simulations are underway and will be reported later.

Protecting Important Sites for Biodiversity Contributes to Meeting Global Conservation Targets

PubMed Central

Butchart, Stuart H. M.; Scharlemann, Jörn P. W.; Evans, Mike I.; Quader, Suhel; Aricò, Salvatore; Arinaitwe, Julius; Balman, Mark; Bennun, Leon A.; Bertzky, Bastian; Besançon, Charles; Boucher, Timothy M.; Brooks, Thomas M.; Burfield, Ian J.; Burgess, Neil D.; Chan, Simba; Clay, Rob P.; Crosby, Mike J.; Davidson, Nicholas C.; De Silva, Naamal; Devenish, Christian; Dutson, Guy C. L.; Fernández, David F. Día z; Fishpool, Lincoln D. C.; Fitzgerald, Claire; Foster, Matt; Heath, Melanie F.; Hockings, Marc; Hoffmann, Michael; Knox, David; Larsen, Frank W.; Lamoreux, John F.; Loucks, Colby; May, Ian; Millett, James; Molloy, Dominic; Morling, Paul; Parr, Mike; Ricketts, Taylor H.; Seddon, Nathalie; Skolnik, Benjamin; Stuart, Simon N.; Upgren, Amy; Woodley, Stephen

2012-01-01

Protected areas (PAs) are a cornerstone of conservation efforts and now cover nearly 13% of the world's land surface, with the world's governments committed to expand this to 17%. However, as biodiversity continues to decline, the effectiveness of PAs in reducing the extinction risk of species remains largely untested. We analyzed PA coverage and trends in species' extinction risk at globally significant sites for conserving birds (10,993 Important Bird Areas, IBAs) and highly threatened vertebrates and conifers (588 Alliance for Zero Extinction sites, AZEs) (referred to collectively hereafter as ‘important sites’). Species occurring in important sites with greater PA coverage experienced smaller increases in extinction risk over recent decades: the increase was half as large for bird species with>50% of the IBAs at which they occur completely covered by PAs, and a third lower for birds, mammals and amphibians restricted to protected AZEs (compared with unprotected or partially protected sites). Globally, half of the important sites for biodiversity conservation remain unprotected (49% of IBAs, 51% of AZEs). While PA coverage of important sites has increased over time, the proportion of PA area covering important sites, as opposed to less important land, has declined (by 0.45–1.14% annually since 1950 for IBAs and 0.79–1.49% annually for AZEs). Thus, while appropriately located PAs may slow the rate at which species are driven towards extinction, recent PA network expansion has under-represented important sites. We conclude that better targeted expansion of PA networks would help to improve biodiversity trends. PMID:22457717

Factors affecting projected Arctic surface shortwave heating and albedo change in coupled climate models.

PubMed

Holland, Marika M; Landrum, Laura

2015-07-13

We use a large ensemble of simulations from the Community Earth System Model to quantify simulated changes in the twentieth and twenty-first century Arctic surface shortwave heating associated with changing incoming solar radiation and changing ice conditions. For increases in shortwave absorption associated with albedo reductions, the relative influence of changing sea ice surface properties and changing sea ice areal coverage is assessed. Changes in the surface sea ice properties are associated with an earlier melt season onset, a longer snow-free season and enhanced surface ponding. Because many of these changes occur during peak solar insolation, they have a considerable influence on Arctic surface shortwave heating that is comparable to the influence of ice area loss in the early twenty-first century. As ice area loss continues through the twenty-first century, it overwhelms the influence of changes in the sea ice surface state, and is responsible for a majority of the net shortwave increases by the mid-twenty-first century. A comparison with the Arctic surface albedo and shortwave heating in CMIP5 models indicates a large spread in projected twenty-first century change. This is in part related to different ice loss rates among the models and different representations of the late twentieth century ice albedo and associated sea ice surface state. © 2015 The Author(s) Published by the Royal Society. All rights reserved.

Factors affecting projected Arctic surface shortwave heating and albedo change in coupled climate models

PubMed Central

Holland, Marika M.; Landrum, Laura

2015-01-01

We use a large ensemble of simulations from the Community Earth System Model to quantify simulated changes in the twentieth and twenty-first century Arctic surface shortwave heating associated with changing incoming solar radiation and changing ice conditions. For increases in shortwave absorption associated with albedo reductions, the relative influence of changing sea ice surface properties and changing sea ice areal coverage is assessed. Changes in the surface sea ice properties are associated with an earlier melt season onset, a longer snow-free season and enhanced surface ponding. Because many of these changes occur during peak solar insolation, they have a considerable influence on Arctic surface shortwave heating that is comparable to the influence of ice area loss in the early twenty-first century. As ice area loss continues through the twenty-first century, it overwhelms the influence of changes in the sea ice surface state, and is responsible for a majority of the net shortwave increases by the mid-twenty-first century. A comparison with the Arctic surface albedo and shortwave heating in CMIP5 models indicates a large spread in projected twenty-first century change. This is in part related to different ice loss rates among the models and different representations of the late twentieth century ice albedo and associated sea ice surface state. PMID:26032318

Coverage-Dependent Anchoring of 4,4'-Biphenyl Dicarboxylic Acid to CoO(111) Thin Films.

PubMed

Mohr, Susanne; Schmitt, Tobias; Döpper, Tibor; Xiang, Feifei; Schwarz, Matthias; Görling, Andreas; Schneider, M Alexander; Libuda, Jörg

2017-05-02

We investigated the adsorption behavior of 4,4'-biphenhyl dicarboxylic acid (BDA) on well-ordered CoO(111) films grown on Ir(100) as a function of coverage and temperature using time-resolved and temperature-programmed infrared reflection absorption spectroscopy (TR-IRAS, TP-IRAS) in combination with density functional theory (DFT) and scanning tunneling microscopy (STM) under ultrahigh vacuum (UHV) conditions. To compare the binding behavior of BDA as a function of the oxide film thickness, three different CoO(111) film thicknesses were explored: films of about 20 bilayers (BLs) (approximately 5 nm), 2 BLs, and 1 BL. The two carboxylic acid groups of BDA offer two potential anchoring points to the oxide surface. At 150 K, intact BDA adsorbs on 20 BL thick oxide films in planar geometry with the phenyl rings aligned parallel to the surface. With decreasing oxide film thickness, we observe an increasing tendency for deprotonation and the formation of flat-lying BDA molecules anchored as dicarboxylates. After saturation of the first monolayer, intact BDA multilayers grow with molecules aligned parallel to the surface. The BDA multilayer desorbs at around 360 K. Completely different growth behavior is observed if BDA is deposited above the multilayer desorption temperature. Initially, doubly deprotonated dicarboxylates are formed by adopting a flat-lying orientation. With increasing exposure, however, the adsorbate layer transforms into upright standing monocarboxylates. A sharp OH stretching band (3584 cm -1 ) and a blue-shifted CO stretching band (1759 cm -1 ) indicate weakly interacting apical carboxylic acid groups at the vacuum interface. The anchored monocarboxylate phase slowly desorbs in a temperature range of up to 470 K. At higher temperature, a flat-lying doubly deprotonated BDA is formed, which desorbs and decomposes in a temperature range of up to 600 K.

Did the Affordable Care Act's dependent coverage mandate increase premiums?

PubMed

Depew, Briggs; Bailey, James

2015-05-01

We investigate the impact of the Affordable Care Act's dependent coverage mandate on insurance premiums. The expansion of dependent coverage under the ACA allows young adults to remain on their parent's private health insurance plans until the age of 26. We find that the mandate has led to a 2.5-2.8 percent increase in premiums for health insurance plans that cover children, relative to single-coverage plans. We are able to conclude that employers did not pass on the entire premium increase to employees through higher required plan contributions. Copyright © 2015 Elsevier B.V. All rights reserved.

Surface kinetics for catalytic combustion of hydrogen-air mixtures on platinum at atmospheric pressure in stagnation flows

NASA Astrophysics Data System (ADS)

Ikeda, H.; Sato, J.; Williams, F. A.

1995-03-01

Experimental studies of the combustion of premixed hydrogen-air mixtures impinging on the surface of a heated platinum plate at normal atmospheric pressure were performed and employed to draw inferences concerning surface reaction mechanisms and rate parameters applicable under practical conditions of catalytic combustion. Plate and gas temperatures were measured by thermocouples, and concentration profiles of major stable species in the gas were measured by gas-chromatographic analyses of samples withdrawn by quartz probes. In addition, ignition and extinction phenomena were recorded and interpreted with the aid of a heat balance at the surface and a previous flow-field analysis of the stagnation-point boundary layer. From the experimental and theoretical results, conclusions were drawn concerning the surface chemical-kinetic mechanisms and values of the elementary rate parameters that are consistent with the observations. In particular, the activation energy for the surface oxidation step H + OH → H 2O is found to be appreciably less at these high surface coverages than in the low-coverage limit.

Discontinuity of Medicaid Coverage: Impact on Cost and Utilization Among Adult Medicaid Beneficiaries With Major Depression.

PubMed

Ji, Xu; Wilk, Adam S; Druss, Benjamin G; Lally, Cathy; Cummings, Janet R

2017-08-01

Gaps in Medicaid coverage may disrupt access to and continuity of care. This can be detrimental for beneficiaries with chronic conditions, such as major depression, for whom disruptions in access to outpatient care may lead to increased use of acute care. However, little is known about how Medicaid coverage discontinuities impact acute care utilization among adults with depression. Examine the relationship between Medicaid discontinuities and service utilization among adults with major depression. A total of 139,164 adults (18-64) with major depression was identified using the 2003-2004 Medicaid Analytic eXtract Files. We used generalized linear and two-part models to examine the effect of Medicaid discontinuity on service utilization. To establish causality in this relationship, we used instrumental variables analysis, relying on exogenous variation in a state-level policy for identification. Emergency department (ED) visits, inpatient episodes, inpatient days, and Medicaid-reimbursed costs. Approximately 29.4% of beneficiaries experienced coverage disruptions. In instrumental variables models, those with coverage disruptions incurred an increase of $650 in acute care costs per-person per Medicaid-covered month compared with those with continuous coverage, evidenced by an increase in ED use (0.1 more ED visits per-person-month) and inpatient days (0.6 more days per-person-month). The increase in acute costs contributed to an overall increase in all-cause costs by $310 per-person-month (all P-values<0.001). Among depressed adults, those experiencing coverage disruptions have, on average, significantly greater use of costly ED/inpatient services than those with continuous coverage. Maintenance of continuous Medicaid coverage may help prevent acute episodes requiring high-cost interventions.

Medicaid Coverage Expansions and Cigarette Smoking Cessation Among Low-income Adults.

PubMed

Koma, Jonathan W; Donohue, Julie M; Barry, Colleen L; Huskamp, Haiden A; Jarlenski, Marian

2017-12-01

Expanding Medicaid coverage to low-income adults may have increased smoking cessation through improved access to evidence-based treatments. Our study sought to determine if states' decisions to expand Medicaid increased recent smoking cessation. Using pooled cross-sectional data from the Behavioral Risk Factor Surveillance Survey for the years 2011-2015, we examined the association between state Medicaid coverage and the probability of recent smoking cessation among low-income adults without dependent children who were current or former smokers (n=36,083). We used difference-in-differences estimation to examine the effects of Medicaid coverage on smoking cessation, comparing low-income adult smokers in states with Medicaid coverage to comparable adults in states without Medicaid coverage, with ages 18-64 years to those ages 65 years and above. Analyses were conducted for the full sample and stratified by sex. Residence in a state with Medicaid coverage among low-income adult smokers ages 18-64 years was associated with an increase in recent smoking cessation of 2.1 percentage points (95% confidence interval, 0.25-3.9). In the comparison group of individuals ages 65 years and above, residence in a state with Medicaid coverage expansion was not associated with a change in recent smoking cessation (-0.1 percentage point, 95% confidence interval, -2.1 to 1.8). Similar increases in smoking cessation among those ages 18-64 years were estimated for females and males (1.9 and 2.2 percentage point, respectively). Findings are consistent with the hypothesis that Medicaid coverage expansions may have increased smoking cessation among low-income adults without dependent children via greater access to preventive health care services, including evidence-based smoking cessation services.

In situ antibiofilm effect of glass-ionomer cement containing dimethylaminododecyl methacrylate.

PubMed

Feng, Jin; Cheng, Lei; Zhou, Xuedong; Xu, Hockin H K; Weir, Michael D; Meyer, Markus; Maurer, Hans; Li, Qian; Hannig, Matthias; Rupf, Stefan

2015-08-01

The aim of this study was to investigate antibiofilm effects of a recently developed glass ionomer cement (GIC) containing dimethylaminododecyl methacrylate (DMADDM) under oral conditions. Biofilms were allowed to form in situ on GIC specimens (n=216) which contained DMADDM (1.1wt.% or 2.2wt.%). Samples without DMADDM served as control (n=108). GIC specimens were fixed on custom made splints and exposed to the oral cavity in six healthy volunteers for 24, 48 and 72h, respectively. Biofilm viability and coverage were analyzed by fluorescence microscopy (FM) and evaluated by red/green ratios and an established scoring system. Bacterial morphology and biofilm accumulation were determined by scanning electron microscopy (SEM). Additionally, material properties as surface charge density of quaternary ammonium groups, surface roughness and DMADDM release were recorded. FM results showed a higher ratio (24h: 0%: 0.5, 1.1%: 1.2, 2.2%: 2.5) of red/green fluorescence on GIC samples containing DMADDM. Biofilm coverage and viability scores were significantly reduced (24h: q1/median/q3 for: 0%: 3/4/5, 1.1%: 2/3/3, 2.2%: 1/2/2) on DMADDM containing samples compared to controls after 24h as well as 48 and 72h in situ (p<0.05). While surface charge density of quaternary ammonium groups and DMADDM release increased with the DMADDM concentration, surface roughness was lowest on specimens containing 2.2wt.% DMADDM. An in situ dental biofilm model was used to evaluate the novel GIC containing DMADDM. This material strongly inhibited biofilms in situ and is promising to prevent bacterial colonization on the surface of restorations. Copyright © 2015 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

Premium growth and its effect on employer-sponsored insurance.

PubMed

Vistnes, Jessica; Selden, Thomas

2011-03-01

We use variation in premium inflation and general inflation across geographic areas to identify the effects of downward nominal wage rigidity on employers' health insurance decisions. Using employer level data from the 2000 to 2005 Medical Expenditure Panel Survey-Insurance Component, we examine the effect of premium growth on the likelihood that an employer offers insurance, eligibility rates among employees, continuous measures of employee premium contributions for both single and family coverage, and deductibles. We find that small, low-wage employers are less likely to offer health insurance in response to increased premium inflation, and if they do offer coverage they increase employee contributions and deductible levels. In contrast, larger, low-wage employers maintain their offers of coverage, but reduce eligibility for such coverage. They also increase employee contributions for single and family coverage, but not deductibles. Among high-wage employers, all but the largest increase deductibles in response to cost pressures.

The Plasma Interaction Experiment (PIX) description and test program. [electrometers

NASA Technical Reports Server (NTRS)

Ignaczak, L. R.; Haley, F. A.; Domino, E. J.; Culp, D. H.; Shaker, F. J.

1978-01-01

The plasma interaction experiment (PIX) is a battery powered preprogrammed auxiliary payload on the LANDSAT-C launch. This experiment is part of a larger program to investigate space plasma interactions with spacecraft surfaces and components. The varying plasma densities encountered during available telemetry coverage periods are deemed sufficient to determine first order interactions between the space plasma environment and the biased experimental surfaces. The specific objectives of the PIX flight experiment are to measure the plasma coupling current and the negative voltage breakdown characteristics of a solar array segment and a gold plated steel disk. Measurements will be made over a range of surface voltages up to plus or minus kilovolt. The orbital environment will provide a range of plasma densities. The experimental surfaces will be voltage biased in a preprogrammed step sequence to optimize the data returned for each plasma region and for the available telemetry coverage.

Molecular dynamics and Monte Carlo simulations resolve apparent diffusion rate differences for proteins confined in nanochannels

DOE PAGES

Tringe, J. W.; Ileri, N.; Levie, H. W.; ...

2015-08-01

We use Molecular Dynamics and Monte Carlo simulations to examine molecular transport phenomena in nanochannels, explaining four orders of magnitude difference in wheat germ agglutinin (WGA) protein diffusion rates observed by fluorescence correlation spectroscopy (FCS) and by direct imaging of fluorescently-labeled proteins. We first use the ESPResSo Molecular Dynamics code to estimate the surface transport distance for neutral and charged proteins. We then employ a Monte Carlo model to calculate the paths of protein molecules on surfaces and in the bulk liquid transport medium. Our results show that the transport characteristics depend strongly on the degree of molecular surface coverage.more » Atomic force microscope characterization of surfaces exposed to WGA proteins for 1000 s show large protein aggregates consistent with the predicted coverage. These calculations and experiments provide useful insight into the details of molecular motion in confined geometries.« less

Structure determination of a multilayer with an island-like overlayer using hard x-ray photoelectron spectroscopy

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

Isomura, N., E-mail: isomura@mosk.tytlabs.co.jp; Kataoka, K.; Horibuchi, K.

We use hard X-ray photoelectron spectroscopy (HAXPES) to obtain the surface structure of a multilayer Au/SiO{sub 2}/Si substrate sample with an island-like overlayer. Photoelectron intensities are measured as a function of incident photon energy (PE) and take-off angle (TOA, measured from the sample surface). The Au layer coverage and Au and SiO{sub 2} layer thicknesses are obtained by the PE dependence, and are used for the following TOA analysis. The Au island lateral width in the cross section is obtained by the TOA dependence, including information about surface roughness, in consideration of the island shadowing at small TOAs. In bothmore » cases, curve-fitting analysis is conducted. The surface structure, which consists of layer thicknesses, overlayer coverage and island width, is determined nondestructively by a combination of PE and TOA dependent HAXPES measurements.« less

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

NASA Astrophysics Data System (ADS)

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.

PubMed

Erikat, I A; Hamad, B A

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.

Interfacial rheology of asphaltenes at oil-water interfaces and interpretation of the equation of state.

PubMed

Rane, Jayant P; Pauchard, Vincent; Couzis, Alexander; Banerjee, Sanjoy

2013-04-16

In an earlier study, oil-water interfacial tension was measured by the pendant drop technique for a range of oil-phase asphaltene concentrations and viscosities. The interfacial tension was found to be related to the relative surface coverage during droplet expansion. The relationship was independent of aging time and bulk asphaltenes concentration, suggesting that cross-linking did not occur at the interface and that only asphaltene monomers were adsorbed. The present study extends this work to measurements of interfacial rheology with the same fluids. Dilatation moduli have been measured using the pulsating droplet technique at different frequencies, different concentrations (below and above CNAC), and different aging times. Care was taken to apply the technique in conditions where viscous and inertial effects are small. The elastic modulus increases with frequency and then plateaus to an asymptotic value. The asymptotic or instantaneous elasticity has been plotted against the interfacial tension, indicating the existence of a unique relationship, between them, independent of adsorption conditions. The relationship between interfacial tension and surface coverage is analyzed with a Langmuir equation of state. The equation of state also enabled the prediction of the observed relationship between the instantaneous elasticity and interfacial tension. The fit by a simple Langmuir equation of state (EOS) suggests minimal effects of aging and of nanoaggregates or gel formation at the interface. Only one parameter is involved in the fit, which is the surface excess coverage Γ∞ = 3.2 molecules/nm(2) (31.25 Å(2)/molecule). This value appears to agree with flat-on adsorption of monomeric asphaltene structures consisting of aromatic cores composed of an average of six fused rings and supports the hypothesis that nanoaggregates do not adsorb on the interface. The observed interfacial effects of the adsorbed asphaltenes, correlated by the Langmuir EOS, are consistent with the asphaltene aggregation behavior in the bulk fluid expected from the Yen-Mullins model.

Towards Semantic Web Services on Large, Multi-Dimensional Coverages

NASA Astrophysics Data System (ADS)

Baumann, P.

2009-04-01

Observed and simulated data in the Earth Sciences often come as coverages, the general term for space-time varying phenomena as set forth by standardization bodies like the Open GeoSpatial Consortium (OGC) and ISO. Among such data are 1-d time series, 2-D surface data, 3-D surface data time series as well as x/y/z geophysical and oceanographic data, and 4-D metocean simulation results. With increasing dimensionality the data sizes grow exponentially, up to Petabyte object sizes. Open standards for exploiting coverage archives over the Web are available to a varying extent. The OGC Web Coverage Service (WCS) standard defines basic extraction operations: spatio-temporal and band subsetting, scaling, reprojection, and data format encoding of the result - a simple interoperable interface for coverage access. More processing functionality is available with products like Matlab, Grid-type interfaces, and the OGC Web Processing Service (WPS). However, these often lack properties known as advantageous from databases: declarativeness (describe results rather than the algorithms), safe in evaluation (no request can keep a server busy infinitely), and optimizable (enable the server to rearrange the request so as to produce the same result faster). WPS defines a geo-enabled SOAP interface for remote procedure calls. This allows to webify any program, but does not allow for semantic interoperability: a function is identified only by its function name and parameters while the semantics is encoded in the (only human readable) title and abstract. Hence, another desirable property is missing, namely an explicit semantics which allows for machine-machine communication and reasoning a la Semantic Web. The OGC Web Coverage Processing Service (WCPS) language, which has been adopted as an international standard by OGC in December 2008, defines a flexible interface for the navigation, extraction, and ad-hoc analysis of large, multi-dimensional raster coverages. It is abstract in that it does not anticipate any particular protocol. One such protocol is given by the OGC Web Coverage Service (WCS) Processing Extension standard which ties WCPS into WCS. Another protocol which makes WCPS an OGC Web Processing Service (WPS) Profile is under preparation. Thereby, WCPS bridges WCS and WPS. The conceptual model of WCPS relies on the coverage model of WCS, which in turn is based on ISO 19123. WCS currently addresses raster-type coverages where a coverage is seen as a function mapping points from a spatio-temporal extent (its domain) into values of some cell type (its range). A retrievable coverage has an identifier associated, further the CRSs supported and, for each range field (aka band, channel), the interpolation methods applicable. The WCPS language offers access to one or several such coverages via a functional, side-effect free language. The following example, which derives the NDVI (Normalized Difference Vegetation Index) from given coverages C1, C2, and C3 within the regions identified by the binary mask R, illustrates the language concept: for c in ( C1, C2, C3 ), r in ( R ) return encode( (char) (c.nir - c.red) / (c.nir + c.red), H˜DF-EOS\\~ ) The result is a list of three HDF-EOS encoded images containing masked NDVI values. Note that the same request can operate on coverages of any dimensionality. The expressive power of WCPS includes statistics, image, and signal processing up to recursion, to maintain safe evaluation. As both syntax and semantics of any WCPS expression is well known the language is Semantic Web ready: clients can construct WCPS requests on the fly, servers can optimize such requests (this has been investigated extensively with the rasdaman raster database system) and automatically distribute them for processing in a WCPS-enabled computing cloud. The WCPS Reference Implementation is being finalized now that the standard is stable; it will be released in open source once ready. Among the future tasks is to extend WCPS to general meshes, in synchronization with the WCS standard. In this talk WCPS is presented in the context of OGC standardization. The author is co-chair of OGC's WCS Working Group (WG) and Coverages WG.

Color-Tunable ZnO/GaN Heterojunction LEDs Achieved by Coupling with Ag Nanowire Surface Plasmons.

PubMed

Yang, Liu; Wang, Yue; Xu, Haiyang; Liu, Weizhen; Zhang, Cen; Wang, Chunliang; Wang, Zhongqiang; Ma, Jiangang; Liu, Yichun

2018-05-09

Color-tunable light-emitting devices (LEDs) have a great impact on our daily life. Herein, LEDs with tunable electroluminescence (EL) color were achieved via introducing Ag nanowires surface plasmons into p-GaN/n-ZnO film heterostructures. By optimizing the surface coverage density of coated Ag nanowires, the EL color was changed continuously from yellow-green to blue-violet. Transient-state and temperature-variable fluorescence emission characterizations uncovered that the spontaneous emission rate and the internal quantum efficiency of the near-UV emission were increased as a consequence of the resonance coupling interaction between Ag nanowires surface plasmons and ZnO excitons. This effect induces the selective enhancement of the blue-violet EL component but suppresses the defect-related yellow-green emission, leading to the observed tunable EL color. The proposed strategy of introducing surface plasmons can be further applied to many other kinds of LEDs for their selective enhancement of EL intensity and effective adjustment of the emission color.

The effect of lack of insurance, poverty and paediatrician supply on immunization rates among children 19-35 months of age in the United States.

PubMed

Becton, James L; Cheng, Lee; Nieman, Linda Z

2008-04-01

Previous studies found that the increasing number of paediatricians in the United States was associated with improved childhood immunization coverage, while the increasing poverty level and the lack of health insurance reduced access to health care. We evaluated whether changes in the number of paediatricians, poverty level and health insurance affected national childhood immunization coverage in the state levels of the United States. Data were collected primarily from the US National Immunization Surveys, series 4:3:1:3:3 from years 1995 and 2003. Ordinal logistic regression analysis was used to analyse the relationships among variables. Over 8 years studied, immunization coverage increased for children aged 19-35 months from 52.3% to 79.8% in the 50 states. The average number of paediatricians per 1000 births increased 28.7% while the percentage of children without health insurance declined 15.6%, and the percentage of children who lived in poverty level declined 17.3%. In 1995, the states with higher immunization coverage were associated with higher numbers of paediatricians [odds ratio (OR), 32.73; 95% confidence interval (CI), 5.96-179.77]. In 2003, the higher numbers of paediatricians still played a role in the increased immunization coverage (OR, 4.69; 95% CI, 1.01-21.78); however, the higher rate of uninsured children in 2003 had an even greater effect upon immunization coverage. Compared with states with lower rates of uninsured children, states with intermediate and higher rates of uninsured children had sixfold (OR, 0.16; 95% CI, 0.03-0.81) and 16-fold (OR, 0.06; 95% CI, 0.01-0.40) decreased childhood immunization coverage, respectively. Between 1995 and 2003 in the United States, the lack of health insurance became more prominent than the supply of paediatricians in affecting immunization coverage for children aged 19-35 months. Future improvements in insurance coverage for children will likely lead to greater immunization coverage.

Arresting dissolution by interfacial rheology design

PubMed Central

Beltramo, Peter J.; Gupta, Manish; Alicke, Alexandra; Liascukiene, Irma; Gunes, Deniz Z.; Baroud, Charles N.

2017-01-01

A strategy to halt dissolution of particle-coated air bubbles in water based on interfacial rheology design is presented. Whereas previously a dense monolayer was believed to be required for such an “armored bubble” to resist dissolution, in fact engineering a 2D yield stress interface suffices to achieve such performance at submonolayer particle coverages. We use a suite of interfacial rheology techniques to characterize spherical and ellipsoidal particles at an air–water interface as a function of surface coverage. Bubbles with varying particle coverages are made and their resistance to dissolution evaluated using a microfluidic technique. Whereas a bare bubble only has a single pressure at which a given radius is stable, we find a range of pressures over which bubble dissolution is arrested for armored bubbles. The link between interfacial rheology and macroscopic dissolution of ∼ 100 μm bubbles coated with ∼ 1 μm particles is presented and discussed. The generic design rationale is confirmed by using nonspherical particles, which develop significant yield stress at even lower surface coverages. Hence, it can be applied to successfully inhibit Ostwald ripening in a multitude of foam and emulsion applications. PMID:28893993

Quantifying the impact of cross coverage on physician's workload and performance in radiation oncology.

PubMed

Mosaly, Prithima R; Mazur, Lukasz M; Jones, Ellen L; Hoyle, Lesley; Zagar, Timothy; Chera, Bhishamjit S; Marks, Lawrence B

2013-01-01

To quantitatively assess the difference in workload and performance of radiation oncology physicians during radiation therapy treatment planning tasks under the conditions of "cross coverage" versus planning a patient with whom they were familiar. Eight physicians (3 experienced faculty physicians and 5 physician residents) performed 2 cases. The first case represented a "cross-coverage" scenario where the physicians had no prior information about the case to be planned. The second exposure represented a "regular-coverage" scenario where the physicians were familiar with the patient case to be planned. Each case involved 3 tasks to be completed systematically. Workload was assessed both subjectively (perceived) using National Aeronautics and Space Administration-Task Load Index (NASA-TLX), and objectively (physiological) throughout the task using eye data (via monitoring pupil size and blink rate). Performance of each task and the case was measured using completion time. Subjective willingness to approve or disapprove the generated plan was obtained after completion of the case only. Forty-eight perceived and 48 physiological workload assessments were obtained. Overall, results revealed a significant increase in perceived workload (high NASA-TLX score) and decrease in performance (longer completion time and reduced approval rate) during cross coverage. There were nonsignificant increases in pupil diameter and decreases in the blink rate during cross-coverage versus regular-coverage scenario. In both cross-coverage and regular-coverage scenarios the level of experience did not affect workload and performance. The cross-coverage scenario significantly increases perceived workload and degrades performance versus regular coverage. Hence, to improve patient safety, efforts must be made to develop policies, standard operating procedures, and usability improvements to electronic medical record and treatment planning systems for "easier" information processing to deal with cross coverage, while recognizing strengths and limitations of human performance. Published by Elsevier Inc.

Workers' decisions to take-up offered health insurance coverage: assessing the importance of out-of-pocket premium costs.

PubMed

Cooper, Philip F; Vistnes, Jessica

2003-07-01

Many proposed policy initiatives involve subsidies directed toward encouraging employers to offer coverage and toward workers to encourage enrollment in offered plans. Given that insurance coverage reflects employers' decisions to offer coverage, eligibility requirements for such coverage, and employees' take-up decisions, all three elements are important when considering mechanisms to decrease the number of uninsured individuals. In this study, we examine the relationship between workers' decisions to take-up offers of health insurance and annual out-of-pocket contributions, total premiums, and employer and workforce characteristics. We model the take-up decision using cross-sectional data from approximately 18,000 establishments per year from the 1997 to 1999 Medical Expenditure Panel Survey - Insurance Component. We find that workers are less likely to enroll in coverage as single employee contributions increase. Our results for family contributions are much smaller than for single contributions and are not statistically significant in all years. Our simulation results suggest that reducing employee contribution levels for single coverage from existing levels in 1999 to zero would yield an increase in take-up rates of roughly 6% points in establishments that had required a positive level of contributions. Our results also indicate that of the 13.8 million private sector workers who decline coverage from their employers, 2.5 million would potentially enroll in employer-sponsored coverage if the cost of single coverage were to fall to zero. Reducing employee contributions will increase take-up rates; however, even when employees pay nothing for their coverage, some employees elect not to enroll.

Effects of the Affordable Care Act's Dependent Coverage Mandate on Private Health Insurance Coverage in Urban and Rural Areas.

PubMed

Look, Kevin A; Kim, Nam Hyo; Arora, Prachi

2017-01-01

To evaluate the impact of the Affordable Care Act's (ACA) dependent coverage mandate on insurance coverage among young adults in metropolitan and nonmetropolitan areas. A cross-sectional analysis was conducted using data from 2006-2009 and 2011 waves of the Medical Expenditure Panel Survey. A difference-in-difference analysis was used to compare changes in full-year private health insurance coverage among young adults aged 19-25 years with an older cohort aged 27-34 years. Separate regressions were estimated for individuals in metropolitan and nonmetropolitan areas and were tested for a differential impact by area of residence. Full-year private health insurance coverage significantly increased by 9.2 percentage points for young adults compared to the older cohort after the ACA mandate (P = .00). When stratifying the regression model by residence area, insurance coverage among young adults significantly increased by 9.0 percentage points in metropolitan areas (P = .00) and 10.1 percentage points in nonmetropolitan areas (P = .03). These changes were not significantly different from each other (P = .82), which suggests the ACA mandate's effects were not statistically different by area of residence. Although young adults in metropolitan and nonmetropolitan areas experienced increased access to private health insurance following the ACA's dependent coverage mandate, it did not appear to directly impact rural-urban disparities in health insurance coverage. Despite residents in both areas gaining insurance coverage, over one-third of young adults still lacked access to full-year health insurance coverage. © 2016 National Rural Health Association.

Temporal trends in coverage of historical cardiac arrests using a volunteer-based network of automated external defibrillators accessible to laypersons and emergency dispatch centers.

PubMed

Hansen, Carolina Malta; Lippert, Freddy Knudsen; Wissenberg, Mads; Weeke, Peter; Zinckernagel, Line; Ruwald, Martin H; Karlsson, Lena; Gislason, Gunnar Hilmar; Nielsen, Søren Loumann; Køber, Lars; Torp-Pedersen, Christian; Folke, Fredrik

2014-11-18

Although increased dissemination of automated external defibrillators (AEDs) has been associated with more frequent AED use, the trade-off between the number of deployed AEDs and coverage of cardiac arrests remains unclear. We investigated how volunteer-based AED dissemination affected public cardiac arrest coverage in high- and low-risk areas. All public cardiac arrests (1994-2011) and all registered AEDs (2007-2011) in Copenhagen, Denmark, were identified and geocoded. AED coverage of cardiac arrests was defined as historical arrests ≤100 m from an AED. High-risk areas were defined as those with ≥1 arrest every 2 years and accounted for 1.0% of the total city area. Of 1864 cardiac arrests, 18.0% (n=335) occurred in high-risk areas throughout the study period. From 2007 to 2011, the number of AEDs and the corresponding coverage of cardiac arrests increased from 36 to 552 and from 2.7% to 32.6%, respectively. The corresponding increase for high-risk areas was from 1 to 30 AEDs and coverage from 5.7% to 51.3%, respectively. Since the establishment of the AED network (2007-2011), few arrests (n=55) have occurred ≤100 m from an AED with only 14.5% (n=8) being defibrillated before the arrival of emergency medical services. Despite the lack of a coordinated public access defibrillation program, the number of AEDs increased 15-fold with a corresponding increase in cardiac arrest coverage from 2.7% to 32.6% over a 5-year period. The highest increase in coverage was observed in high-risk areas (from 5.7% to 51.3%). AED networks can be used as useful tools to optimize AED placement in community settings. © 2014 American Heart Association, Inc.

Spectral characteristics of the microwave emission from a wind-driven foam-covered sea

NASA Technical Reports Server (NTRS)

Webster, W. J., Jr.; Wilheit, T. T.; Gloersen, P.; Ross, D. B.

1976-01-01

Aircraft observations of the microwave emission from the wind-driven foam-covered Bering Sea substantiate earlier results and show that the combination of surface roughness and white water yields a significant microwave brightness temperature dependence on wind speed over a wide range of microwave wavelengths, with a decreasing dependence for wavelengths above 6 cm. The spectral characteristic of brightness temperature as a function of wind speed is consistent with a foam model in which the bubbles give rise to a cusped surface between the foam and the sea. In the fetch-limited situation the contribution of the wave structure at the surface appears to increase as the foam coverage decreases. Although the data show that the thin streaks are the most important part of the white water signature, there is some evidence for the contribution of whitecaps.

Surface Plasmon Resonance Imaging of the Enzymatic Degradation of Cellulose Microfibrils

NASA Astrophysics Data System (ADS)

Reiter, Kyle; Raegen, Adam; Clarke, Anthony; Lipkowski, Jacek; Dutcher, John

2012-02-01

As the largest component of biomass on Earth, cellulose represents a significant potential energy reservoir. Enzymatic hydrolysis of cellulose into fermentable sugars, an integral step in the production of biofuel, is a challenging problem on an industrial scale. More efficient conversion processes may be developed by an increased understanding of the action of the cellulolytic enzymes involved in cellulose degradation. We have used our recently developed quantitative, angle-scanning surface plasmon resonance imaging (SPRi) device to study the degradation of cellulose microfibrils upon exposure to cellulosic enzymes. In particular, we have studied the action of individual enzymes, and combinations of enzymes, from the Hypocrea Jecorina cellulase system on heterogeneous, industrially-relevant cellulose substrates. This has allowed us to define a characteristic time of action for the enzymes for different degrees of surface coverage of the cellulose microfibrils.

Controlling the Nanoscale Patterning of AuNPs on Silicon Surfaces

PubMed Central

Williams, Sophie E.; Davies, Philip R.; Bowen, Jenna L.; Allender, Chris J.

2013-01-01

This study evaluates the effectiveness of vapour-phase deposition for creating sub-monolayer coverage of aminopropyl triethoxysilane (APTES) on silicon in order to exert control over subsequent gold nanoparticle deposition. Surface coverage was evaluated indirectly by observing the extent to which gold nanoparticles (AuNPs) deposited onto the modified silicon surface. By varying the distance of the silicon wafer from the APTES source and concentration of APTES in the evaporating media, control over subsequent gold nanoparticle deposition was achievable to an extent. Fine control over AuNP deposition (AuNPs/μm2) however, was best achieved by adjusting the ionic concentration of the AuNP-depositing solution. Furthermore it was demonstrated that although APTES was fully removed from the silicon surface following four hours incubation in water, the gold nanoparticle-amino surface complex was stable under the same conditions. Atomic force microscopy (AFM) and X-ray photoelectron spectroscopy (XPS) were used to study these affects. PMID:28348330

Analysis of hydrogen adsorption and surface binding configuration on tungsten using direct recoil spectrometry

DOE PAGES

Kolasinski, R. D.; Hammond, K. D.; Whaley, J. A.; ...

2014-12-03

In our work, we apply low energy ion beam analysis to examine directly how the adsorbed hydrogen concentration and binding configuration on W(1 0 0) depend on temperature. We exposed the tungsten surface to fluxes of both atomic and molecular H and D. We then probed the H isotopes adsorbed along different crystal directions using 1–2 keV Ne + ions. At saturation coverage, H occupies two-fold bridge sites on W(1 0 0) at 25 °C. Moreover, the H coverage dramatically changes the behavior of channeled ions, as does reconstruction of the surface W atoms. For the exposure conditions examined here,more » we find that surface sites remain populated with H until the surface temperature reaches 200 °C. Then, we observe H rapidly desorbing until only a residual concentration remains at 450 °C. Development of an efficient atomistic model that accurately reproduces the experimental ion energy spectra and azimuthal variation of recoiled H is underway.« less

Laser Ablation Surface Preparation of Ti-6A1-4V for Adhesive Bonding

NASA Technical Reports Server (NTRS)

Palmieri, Frank L.; Watson, Kent A.; Morales, Guillermo; Williams, Thomas; Hicks, Robert; Wohl, Christopher J.; Hopkins, John W.; Connell, John W.

2012-01-01

Adhesive bonding offers many advantages over mechanical fastening, but requires certification before it can be incorporated in primary structures for commercial aviation without disbond-arrestment features or redundant load paths. Surface preparation is widely recognized as the key step to producing robust and predictable bonds. Laser ablation imparts both topographical and chemical changes to a surface which can lead to increased bond durability. A laser based process provides an alternative to chemical-dip, manual abrasion and grit blast treatments which are expensive, hazardous, polluting, and less precise. This report documents preliminary testing of a surface preparation technique using laser ablation as a replacement for the chemical etch and abrasive processes currently applied to Ti-6Al-4V alloy adherends. Failure mode, surface roughness, and chemical makeup were analyzed using fluorescence enhanced visualization, microscopy, and X-ray photoelectron spectroscopy, respectively. Single lap shear tests were conducted on bonded and aged specimens to observe bond strength retention and failure mode. Some promising results showed increasing strength and durability of lap shear specimens as laser ablation coverage area and beam intensity increased. Chemical analyses showed trends for surface chemical species which correlated with improved bond strength and durability. Combined, these results suggest that laser ablation is a viable process for inclusion with or/and replacement of one or more currently used titanium surface treatments. On-going work will focus on additional mechanical tests to further demonstrate improved bond durability.

Development of a highly transparent superamphiphobic plastic sheet by nanoparticle and chemical coating.

PubMed

Wong, Ten It; Wang, Hao; Wang, Fuke; Sin, Sau Leng; Quan, Cheng Gen; Wang, Shi Jie; Zhou, Xiaodong

2016-04-01

A highly transparent superamphiphobic plastic sheet was developed. The plastic sheet polymethyl methacrylate (PMMA) was spin-coated on a glass substrate. Synthesized silica nanoparticles were sprayed on PMMA, followed by fluorosilane drop-coating. The results of contact angle measurements show that the developed PMMA sheet has superamphiphobic properties with high advancing contact angles for water (154°), toluene (139°), and silicone oil (132.9°). The amphiphobicity of the plastic sheet can be tuned by the surface coverage of the silica nanoparticles distributed on the PMMA surface. The surface coverage of the nanoparticles on our PMMA sheet is about 20%, and it agrees with our contact angle calculations for the sheet with and without nanoparticles. Copyright © 2016 Elsevier Inc. All rights reserved.

Re-Analysis of the Solar Phase Curves of the Icy Galilean Satellites

NASA Technical Reports Server (NTRS)

Domingue, Deborah; Verbiscer, Anne

1997-01-01

Re-analysis of the solar phase curves of the icy Galilean satellites demonstrates that the quantitative results are dependent on the single particle scattering function incorporated into the photometric model; however, the qualitative properties are independent. The results presented here show that the general physical characteristics predicted by a Hapke model (B. Hapke, 1986, Icarus 67, 264-280) incorporating a two parameter double Henyey-Greenstein scattering function are similar to the predictions given by the same model incorporating a three parameter double Henyey-Greenstein scattering function as long as the data set being modeled has adequate coverage in phase angle. Conflicting results occur when the large phase angle coverage is inadequate. Analysis of the role of isotropic versus anisotropic multiple scattering shows that for surfaces as bright as Europa the two models predict very similar results over phase angles covered by the data. Differences arise only at those phase angles for which there are no data. The single particle scattering behavior between the leading and trailing hemispheres of Europa and Ganymede is commensurate with magnetospheric alterations of their surfaces. Ion bombardment will produce more forward scattering single scattering functions due to annealing of potential scattering centers within regolith particles (N. J. Sack et al., 1992, Icarus 100, 534-540). Both leading and trailing hemispheres of Europa are consistent with a high porosity model and commensurate with a frost surface. There are no strong differences in predicted porosity between the two hemispheres of Callisto, both are consistent with model porosities midway between that deduced for Europa and the Moon. Surface roughness model estimates predict that surface roughness increases with satellite distance from Jupiter, with lunar surface roughness values falling midway between those measured for Ganymede and Callisto. There is no obvious variation in predicted surface roughness with hemisphere for any of the Galilean satellites.

The Functionality of Surface Hydroxy Groups on the Selectivity and Activity of Carbon Dioxide Reduction over Cuprous Oxide in Aqueous Solutions.

PubMed

Yang, Piaoping; Zhao, Zhi-Jian; Chang, Xiaoxia; Mu, Rentao; Zha, Shenjun; Zhang, Gong; Gong, Jinlong

2018-06-25

Carbon dioxide (CO 2 ) reduction in aqueous solutions is an attractive strategy for carbon capture and utilization. Cuprous oxide (Cu 2 O) is a promising catalyst for CO 2 reduction as it can convert CO 2 into valuable hydrocarbons and suppress the side hydrogen evolution reaction (HER). However, the nature of the active sites in Cu 2 O remains under debate because of the complex surface structure of Cu 2 O under reducing conditions, leading to limited guidance in designing improved Cu 2 O catalysts. This paper describes the functionality of surface-bonded hydroxy groups on partially reduced Cu 2 O(111) for the CO 2 reduction reaction (CO 2 RR) by combined density functional theory (DFT) calculations and experimental studies. We find that the surface hydroxy groups play a crucial role in the CO 2 RR and HER, and a moderate coverage of hydroxy groups is optimal for promotion of the CO 2 RR and suppression of the HER simultaneously. Electronic structure analysis indicates that the charge transfer from hydroxy groups to coordination-unsaturated Cu (Cu CUS ) sites stabilizes surface-adsorbed COOH*, which is a key intermediate during the CO 2 RR. Moreover, the CO 2 RR was evaluated over Cu 2 O octahedral catalysts with {111} facets and different surface coverages of hydroxy groups, which demonstrates that Cu 2 O octahedra with moderate coverage of hydroxy groups can indeed enhance the CO 2 RR and suppress the HER. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Childhood Malaria Admission Rates to Four Hospitals in Malawi between 2000 and 2010

PubMed Central

Okiro, Emelda A.; Kazembe, Lawrence N.; Kabaria, Caroline W.; Ligomeka, Jeffrey; Noor, Abdisalan M.; Ali, Doreen; Snow, Robert W.

2013-01-01

Introduction The last few years have witnessed rapid scaling-up of key malaria interventions in several African countries following increases in development assistance. However, there is only limited country-specific information on the health impact of expanded coverage of these interventions. Methods Paediatric admission data were assembled from 4 hospitals in Malawi reflecting different malaria ecologies. Trends in monthly clinical malaria admissions between January 2000 and December 2010 were analysed using time-series models controlling for covariates related to climate and service use to establish whether changes in admissions can be related to expanded coverage of interventions aimed at reducing malaria infection. Results In 3 of 4 sites there was an increase in clinical malaria admission rates. Results from time series models indicate a significant month-to-month increase in the mean clinical malaria admission rates at two hospitals (trend P<0.05). At these hospitals clinical malaria admissions had increased from 2000 by 41% to 100%. Comparison of changes in malaria risk and ITN coverage appear to correspond to a lack of disease declines over the period. Changes in intervention coverage within hospital catchments showed minimal increases in ITN coverage from <6% across all sites in 2000 to maximum of 33% at one hospital site by 2010. Additionally, malaria transmission intensity remained unchanged between 2000–2010 across all sites. Discussion Despite modest increases in coverage of measures to reduce infection there has been minimal changes in paediatric clinical malaria cases in four hospitals in Malawi. Studies across Africa are increasingly showing a mixed set of impact results and it is important to assemble more data from more sites to understand the wider implications of malaria funding investment. We also caution that impact surveillance should continue in areas where intervention coverage is increasing with time, for example Malawi, as decline may become evident within a period when coverage reaches optimal levels. PMID:23638008

Using digital surveillance to examine the impact of public figure pancreatic cancer announcements on media and search query outcomes.

PubMed

Noar, Seth M; Ribisl, Kurt M; Althouse, Benjamin M; Willoughby, Jessica Fitts; Ayers, John W

2013-12-01

Announcements of cancer diagnoses from public figures may stimulate cancer information seeking and media coverage about cancer. This study used digital surveillance to quantify the effects of pancreatic cancer public figure announcements on online cancer information seeking and cancer media coverage. We compiled a list of public figures (N = 25) who had been diagnosed with or had died from pancreatic cancer between 2006 and 2011. We specified interrupted time series models using data from Google Trends to examine search query shifts for pancreatic cancer and other cancers. Weekly media coverage archived on Google News were also analyzed. Most public figures' pancreatic cancer announcements corresponded with no appreciable change in pancreatic cancer search queries or media coverage. In contrast, Patrick Swayze's diagnosis was associated with a 285% (95% confidence interval [CI]: 212 to 360) increase in pancreatic cancer search queries, though it was only weakly associated with increases in pancreatic cancer media coverage. Steve Jobs's death was associated with a 197% (95% CI: 131 to 266) increase in pancreatic cancer queries and a 3517% (95% CI: 2882 to 4492) increase in pancreatic cancer media coverage. In general, a doubling in pancreatic cancer-specific media coverage corresponded with a 325% increase in pancreatic cancer queries. Digital surveillance is an important tool for future cancer control research and practice. The current application of these methods suggested that pancreatic cancer announcements (diagnosis or death) by particular public figures stimulated media coverage of and online information seeking for pancreatic cancer.

Soil erosion and effluent particle size distribution under different initial conditions and rock fragment coverage

NASA Astrophysics Data System (ADS)

Jomaa, S.; Barry, D. A.; Brovelli, A.; Heng, B. C. P.; Sander, G. C.; Parlange, J.-Y.

2012-04-01

It is well known that the presence of rock fragments on the soil surface and the soil's initial characteristics (moisture content, surface roughness, bulk density, etc.) are key factors influencing soil erosion dynamics and sediment delivery. In addition, the interaction of these factors increases the complexity of soil erosion patterns and makes predictions more difficult. The aim of this study was (i) to investigate the effect of soil initial conditions and rock fragment coverage on soil erosion yields and effluent particle size distribution and (ii) to evaluate to what extent the rock fragment coverage controls this relationship. Three laboratory flume experiments with constant precipitation rate of 74 mm/h on a loamy soil parcel with a 2% slope were performed. Experiments with duration of 2 h were conducted using the 6-m × 2-m EPFL erosion flume. During each experiment two conditions were considered, a bare soil and a rock fragment-protected (with 40% coverage) soil. The initial soil surface state was varied between the three experiments, from a freshly re-ploughed and almost dry condition to a compacted soil with a well-developed shield layer and high moisture content. Experiments were designed so that rain splash was the primary driver of soil erosion. Results showed that the amount of eroded mass was highly controlled by the initial soil conditions and whether the steady-state equilibrium was un-, partially- or fully- developed during the previous event. Additionally, results revealed that sediment yields and particle size composition in the initial part of an erosion event are more sensitive to the erosion history than the long-time behaviour. This latter appears to be mainly controlled by rainfall intensity. If steady-state was achieved for a previous event, then the next event consistently produced concentrations for each size class that peaked rapidly, and then declined gradually to steady-state equilibrium. If steady state was not obtained, then different and more complex behaviour was observed in the next event, with large differences found between fine, medium and coarse size classes. The presence of rock fragments on the topsoil reduced the time needed to reach steady state compared with the bare soil. This was attributed to the reduction of rain splash erosion caused by the rapid development of the overland flow, as a result of rock fragments reducing the flow cross-sectional area.