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Sample records for surface potential variation

  1. Intrinsic Charge Trapping Observed as Surface Potential Variations in diF-TES-ADT Films.

    Science.gov (United States)

    Hoffman, Benjamin C; McAfee, Terry; Conrad, Brad R; Loth, Marsha A; Anthony, John E; Ade, Harald W; Dougherty, Daniel B

    2016-08-24

    Spatial variations in surface potential are measured with Kelvin probe force microscopy for thin films of 2,8-difluoro-5,11-bis(triethylsilylethynyl)anthradithiophenes (diF-TES-ADT) grown on SiO2 and silane-treated SiO2 substrates by organic molecular beam deposition. The variations are observed both between and within grains of the polycrystalline organic film and are quantitatively different than electrostatic variations on the substrate surfaces. The skewness of surface potential distributions is larger on SiO2 than on HMDS-treated substrates. This observation is attributed to the impact of substrate functionalization on minimizing intrinsic crystallographic defects in the organic film that can trap charge.

  2. Electrostatic potential variation on the flux surface and its impact on impurity transport

    Science.gov (United States)

    García-Regaña, J. M.; Beidler, C. D.; Kleiber, R.; Helander, P.; Mollén, A.; Alonso, J. A.; Landreman, M.; Maaßberg, H.; Smith, H. M.; Turkin, Y.; Velasco, J. L.

    2017-05-01

    The impurity transport in magnetically confined plasmas under some conditions finds neither quantitatively nor qualitatively a satisfactory theory-based explanation. This compromises the successful realization of thermo-nuclear fusion for energy production since impurity accumulation is known to be one of the causes that limits the plasma performance through radiative losses and plasma dilution. Under stellarator reactor-relevant conditions, accumulation is supported by the negative (inwards pointing) radial electric field which must arise to satisfy the ambipolarity constraint on the neoclassical particle fluxes. The high charge number of the impurities makes their transport particularly sensitive to the presence of electric fields and, consequently, the electrostatic potential variation on the flux surface, {Φ1} , which conventional neoclassical theory usually neglects, may contribute to the theoretical interpretation of experimental results not yet fully understood, e.g. Ida et al (2009 Phys. Plasmas 16 056111) and Yoshinuma et al (2009 Nucl. Fusion 49 062002). In the present work we have considered different stellarator configurations and assessed the impact that {Φ1} has on the radial particle transport of selected impurities. The results for LHD show that {Φ1} can strongly modify this transport, resulting in large deviations of the level of inward impurity flux predicted by the standard neoclassical theory in most cases. In Wendelstein 7-X, on the contrary, {Φ1} is significantly smaller and, for the parameters considered, its effect only appreciable for impurities with high charge number. Finally, in TJ-II the potential variation leads to appreciable changes of the impurity radial flux, although not to the extent its large amplitude might lead one to think. The dependence on the chosen parameters and open questions for future developments are discussed.

  3. Surface potential variations on a silicon nanowire transistor in biomolecular modification and detection

    International Nuclear Information System (INIS)

    Tsai, Chia-Chang; Chiang, Pei-Ling; Lin, Tsung-Wu; Chen, Yit-Tsong; Sun, Chih-Jung; Tsai, Ming-Hsueh; Chang, Yun-Chorng

    2011-01-01

    Using a silicon nanowire field-effect transistor (SiNW-FET) for biomolecule detections, we selected 3-(mercaptopropyl)trimethoxysilane (MPTMS), N-[6-(biotinamido)hexyl]-3 ' -(2 ' -pyridyldithio) propionamide (biotin-HPDP), and avidin, respectively, as the designated linker, receptor, and target molecules as a study model, where the biotin molecules were modified on the SiNW-FET to act as a receptor for avidin. We applied high-resolution scanning Kelvin probe force microscopy (KPFM) to detect the modified/bound biomolecules by measuring the induced change of the surface potential (ΔΦ s ) on the SiNW-FET under ambient conditions. After biotin-immobilization and avidin-binding, the ΔΦ s on the SiNW-FET characterized by KPFM was demonstrated to correlate to the conductance change inside the SiNW-FET acquired in aqueous solution. The ΔΦ s values on the SiNW-FET caused by the same biotin-immobilization and avidin-binding were also measured from drain current versus gate voltage curves (I d -V g ) in both aqueous condition and dried state. For comparison, we also study the ΔΦ s values on a Si wafer caused by the same biotin-immobilization and avidin-binding through KPFM and ζ potential measurements. This study has demonstrated that the surface potential measurement on a SiNW-FET by KPFM can be applied as a diagnostic tool that complements the electrical detection with a SiNW-FET sensor. Although the KPFM experiments were carried out under ambient conditions, the measured surface properties of a SiNW-FET are qualitatively valid compared with those obtained by other biosensory techniques performed in liquid environment.

  4. In situ visualization and detection of surface potential variation of mono and multilayer MoS2 under different humidities using Kelvin probe force microscopy.

    Science.gov (United States)

    Feng, Yulin; Zhang, Kailiang; Li, Hui; Wang, Fang; Zhou, Baozeng; Fang, Mingxu; Wang, Weichao; Wei, Jun; Wong, H S Philip

    2017-06-30

    The surface potential (SP) variations in mono and multilayer molybdenum disulfide (MoS 2 ) are visualized in situ and detected using Kelvin probe force microscopy (KPFM) in different humidity conditions for the first time. N-type doping, which originates from the SiO 2 substrate, is discovered in the exfoliated MoS 2 and is accompanied by a screening length of five layers. The influence of water, which serves as an environmental gating for MoS 2 , is investigated by controlling the relative humidities (RHs) in the environmental chamber. A monotonic decrease in the SP is observed when the threshold concentration is achieved. This corresponds to the Fermi level variation, which is dominated by different processes. The results also indicate that water adsorption could result in MoS 2 p-type doping and provide compensation that partially counteracts the substrate effect. Under this condition, the interlayer screening effect is influenced because of the water dipole-induced electric field. Density functional theory calculations are performed to determine the band structure variations and the interactions between water molecules and between water molecules and the MoS 2 surface in mono and trilayer MoS 2 under different RHs. The calculations are in excellent agreement with the experimental results. We propose that in situ measurements of the SP using KPFM under different environmental regimes is a noninvasive and effective method to provide real-time visualization and detection of electronic property variations in two-dimensional materials.

  5. Renner-Teller effect in linear tetra-atomic molecules. I. Variational method including couplings between all degrees of freedom on six-dimensional potential energy surfaces

    Science.gov (United States)

    Jutier, L.; Léonard, C.; Gatti, F.

    2009-04-01

    For electronically degenerate states of linear tetra-atomic molecules, a new method is developed for the variational treatment of the Renner-Teller and spin-orbit couplings. The approach takes into account all rotational and vibrational degrees of freedom, the dominant couplings between the corresponding angular momenta as well as the couplings with the electronic and electron spin angular momenta. The complete rovibrational kinetic energy operator is expressed in Jacobi coordinates, where the rovibrational angular momenta ĴN have been replaced by L̂ez-Ŝ and the spin-orbit coupling has been described by the perturbative term ASO×L̂ezṡŜz. Attention has been paid on the electronic wave functions, which require additional phase for linear tetra-atomic molecules. Our implemented rovibrational basis functions and the integration of the different parts of the total Hamiltonian operator are described. This new variational approach is tested on the electronic ground state X Π2u of HCCH+ for which new six-dimensional potential energy surfaces have been computed using the internally contracted multireference configuration interaction method and the cc-pV5Z basis set. The calculated rovibronic energies and their comparisons with previous theoretical and experimental works are presented in the next paper.

  6. Use of scaled external correlation, a double many-body expansion, and variational transition state theory to calibrate a potential energy surface for FH2

    Science.gov (United States)

    Lynch, Gillian C.; Steckler, Rozeanne; Varandas, Antonio J. C.; Truhlar, Donald G.; Schwenke, David W.

    1991-01-01

    New ab initio results and a double many-body expansion formalism have been used to parameterize a new FH2 potential energy surface with improved properties near the saddle point and in the region of long-range attraction. The functional form of the new surface includes dispersion forces by a double many-body expansion. Stationary point properties for the new surface are calculated along with the product-valley barrier maxima of vibrationally adiabatic potential curves for F + H2 - HF(nu-prime = 3) + H, F + HD - HF(nu-prime = 3) + D, and F + D2 - DF(nu-prime = 4) + D. The new surface should prove useful for studying the effect on dynamics of a low, early barrier with a wide, flat bend potential.

  7. Rock discontinuity surface roughness variation with scale

    Science.gov (United States)

    Bitenc, Maja; Kieffer, D. Scott; Khoshelham, Kourosh

    2017-04-01

    hypothesize that roughness can increase or decrease with the joint size, depending on the large scale roughness (or waviness), which is entering the roughness calculation once the discontinuity size increases. Therefore, our objective is to characterize roughness at various spatial scales, rather than at changing surface size. Firstly, the rock surface is interpolated into a grid on which a Discrete Wavelet Transform (DWT) is applied. The resulting surface components have different frequencies, or in other words, they have a certain physical scale depending on the decomposition level and input grid resolution. Secondly, the Grasselli Parameter is computed for the original and each decomposed surface. Finally, the relative roughness change is analyzed with respect to increasing roughness wavelength for four different rock samples. The scale variation depends on the sample itself and thus indicates its potential mechanical behavior. References: - Barton, N. and V. Choubey (1977). "The shear strength of rock joints in theory and practice." Rock Mechanics and Rock Engineering 10(1): 1-54. - Grasselli, G. (2001). Shear strength of rock joints based on quantified surface description. École Polytechnique Fédérale de Lausanne. Lausanne, EPFL. - Tatone, B. S. A. and G. Grasselli (2009). "A method to evaluate the three-dimensional roughness of fracture surfaces in brittle geomaterials." Review of Scientific Instruments 80(12) - Tatone, B. and G. Grasselli (2012). "An Investigation of Discontinuity Roughness Scale Dependency Using High-Resolution Surface Measurements." Rock Mechanics and Rock Engineering: 1-25.

  8. Ionization potentials some variations, implications and applications

    CERN Document Server

    Ahrens, L H

    1983-01-01

    Ionization Potentials: Some Variations, Implications and Applications covers several aspects of ionization potential that is a highly significant parameter in controlling the properties of electric discharge. Comprised of 17 chapters, the book covers topic relevant to ionization potentials, such as properties, concepts, and applications, in order to understand and fully comprehend all aspects of ionization potential. The opening chapter is a review of ionization potentials and a discussion of trends and features. The succeeding chapters then tackle complex topics such as the s and p electrons;

  9. Variation of surface dose in CT

    International Nuclear Information System (INIS)

    Aviles Lucas, P.; Castellano, I. A.; Dance, D. R.; Vano Carruana, E.; Prieto Martin, C.

    2003-01-01

    An experimental study has been made of the variations of the air kerma-length product at the surface of a phantom exposed in a CT scanner using clinical parameters. the effect of patient size, position within the gantry plane and beam-shaping filter type was studied using three different elliptical phantoms. A dose reduction technique based on a sinusoidal tube current modulation system was also investigated. the result of the variation of the surface dose was analysed for the case of CT fluoroscopy procedures. The surface air kerma-length product was shown to be independent of phantom size (within experimental error) but decreases as the surface moves vertically away from the iso centre. The major contributor to this variation the beam-shaping filter. The possibility of underestimating the surface dose if an AAPM body phantom is used (a 36% increase for the head phantom) is an indirect result of the previous conclusion when applied to CT fluoroscopy. This highlights the importance of considering the size and position of the patient when measuring the does. Finally, when the tube current modulation system was used, the maximum surface dose reduction was 18%. (Author) 23 refs

  10. Potential photosynthesis of crop surfaces.

    NARCIS (Netherlands)

    Wit, de C.T.

    1959-01-01

    A formula for calculating the potential photosynthesis of a closed crop surface is proposed, assuming that the leaves of the crop are not arranged in any definite direction. In the Netherlands, values for potential photosynthesis vary from 290 kg. CH2O/ha./day in June to 50 kg./ha./day in December.

  11. Variational mesh segmentation via quadric surface fitting

    KAUST Repository

    Yan, Dongming

    2012-11-01

    We present a new variational method for mesh segmentation by fitting quadric surfaces. Each component of the resulting segmentation is represented by a general quadric surface (including plane as a special case). A novel energy function is defined to evaluate the quality of the segmentation, which combines both L2 and L2 ,1 metrics from a triangle to a quadric surface. The Lloyd iteration is used to minimize the energy function, which repeatedly interleaves between mesh partition and quadric surface fitting. We also integrate feature-based and simplification-based techniques in the segmentation framework, which greatly improve the performance. The advantages of our algorithm are demonstrated by comparing with the state-of-the-art methods. © 2012 Elsevier Ltd. All rights reserved.

  12. Process length variation in cysts of a dinoflagellate, Lingulodinium machaerophorum, in surface sediments: investigating its potential as salinity proxy

    DEFF Research Database (Denmark)

    Mertens, Kenneth; Ribeiro, Sofia; Ilham, Bouimetarhan

    2009-01-01

    surface sediment samples revealed that the average process length is related to summer salinity and temperature at a water depth of 30 m by the equation (salinity/temperature) = (0.078low asteriskaverage process length + 0.534) with R2 = 0.69. This relationship can be used to reconstruct palaeosalinities......, albeit with caution. The particular ecological window can be associated with known distributions of the corresponding motile stage Lingulodinium polyedrum (Stein) Dodge, 1989. Confocal laser microscopy showed that the average process length is positively related to the average distance between process...... bases (R2 = 0.78), and negatively related to the number of processes (R2 = 0.65). These results document the existence of two end members in cyst formation: one with many short, densely distributed processes and one with a few, long, widely spaced processes, which can be respectively related to low...

  13. Effective medium potentials for molecule-surface interactions: H2 on Cu and Ni surfaces

    DEFF Research Database (Denmark)

    Nørskov, Jens Kehlet

    1989-01-01

    outside metal surfaces and the applicability is illustrated for H2 adsorbing on various Cu and Ni surfaces. Although very approximate, the calculated potentials seem to include a number of features observed experimentally: Ni is more active in dissociating H2 than Cu, and open surfaces are more active...... than close-packed ones. Moreover, the method is simple enough that one can contemplate studying variations in dissociation pathways over the surface unit cell. For the Cu surfaces these variations are substantial accounting for at least part of the variation of the sticking coefficient with the kinetic...

  14. Variation of surface electric field during geomagnetic disturbed ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Earth System Science; Volume 124; Issue 8. Variation of surface electric field ... Diurnal variation of surface electric field measured at Maitri shows a similar variation with worldwide thunderstorm activity, whereas the departure of the field is observed during disturbed periods. This part of the field ...

  15. Potential energy surfaces for chemical reactions

    International Nuclear Information System (INIS)

    Schaefer, H.F. III.

    1976-01-01

    Research into potential energy surfaces for chemical reactions at Lawrence Berkeley Laboratory during 1976 is described. Topics covered include: the fuzzy interface between surface chemistry catalysis and organometallic chemistry; potential energy surfaces for elementary fluorine hydrogen reactions; structure, energetics, and reactivity of carbenes; and the theory of self-consistent electron pairs

  16. Deriving relativistic Bohmian quantum potential using variational ...

    Indian Academy of Sciences (India)

    This has two results: first, the surface integral vanishes; second, 1 − r > 0 or r < 1; so. 0

  17. Deterministic prediction of surface wind speed variations

    Directory of Open Access Journals (Sweden)

    G. V. Drisya

    2014-11-01

    Full Text Available Accurate prediction of wind speed is an important aspect of various tasks related to wind energy management such as wind turbine predictive control and wind power scheduling. The most typical characteristic of wind speed data is its persistent temporal variations. Most of the techniques reported in the literature for prediction of wind speed and power are based on statistical methods or probabilistic distribution of wind speed data. In this paper we demonstrate that deterministic forecasting methods can make accurate short-term predictions of wind speed using past data, at locations where the wind dynamics exhibit chaotic behaviour. The predictions are remarkably accurate up to 1 h with a normalised RMSE (root mean square error of less than 0.02 and reasonably accurate up to 3 h with an error of less than 0.06. Repeated application of these methods at 234 different geographical locations for predicting wind speeds at 30-day intervals for 3 years reveals that the accuracy of prediction is more or less the same across all locations and time periods. Comparison of the results with f-ARIMA model predictions shows that the deterministic models with suitable parameters are capable of returning improved prediction accuracy and capturing the dynamical variations of the actual time series more faithfully. These methods are simple and computationally efficient and require only records of past data for making short-term wind speed forecasts within practically tolerable margin of errors.

  18. Variational space–time (dis)continuous Galerkin method for nonlinear free surface water waves

    NARCIS (Netherlands)

    Gagarina, Elena; Ambati, V.R.; van der Vegt, Jacobus J.W.; Bokhove, Onno

    2014-01-01

    A new variational finite element method is developed for nonlinear free surface gravity water waves using the potential flow approximation. This method also handles waves generated by a wave maker. Its formulation stems from Miles’ variational principle for water waves together with a finite element

  19. Scanning Surface Potential Microscopy of Spore Adhesion on Surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Ida [University of Tennessee, Knoxville (UTK); Chung, Eunhyea [Georgia Institute of Technology; Kweon, Hyojin [Georgia Institute of Technology; Yiacoumi, Sotira [Georgia Institute of Technology; Tsouris, Costas [ORNL

    2012-01-01

    The adhesion of spores of Bacillus anthracis - the cause of anthrax and a likely biological threat - to solid surfaces is an important consideration in cleanup after an accidental or deliberate release. However, because of safety concerns, directly studying B. anthracis spores with advanced instrumentation is problematic. As a first step, we are examining the electrostatic potential of Bacillus thuringiensis (Bt), which is a closely related species that is often used as a simulant to study B. anthracis. Scanning surface potential microscopy (SSPM), also known as Kelvin probe force microscopy (KPFM), was used to investigate the influence of relative humidity (RH) on the surface electrostatic potential of Bt that had adhered to silica, mica, or gold substrates. AFM/SSPM side-by-side images were obtained separately in air, at various values of RH, after an aqueous droplet with spores was applied on each surface and allowed to dry before measurements. In the SSPM images, a negative potential on the surface of the spores was observed compared with that of the substrates. The surface potential decreased as the humidity increased. Spores were unable to adhere to a surface with an extremely negative potential, such as mica.

  20. Scanning surface potential microscopy of spore adhesion on surfaces.

    Science.gov (United States)

    Lee, I; Chung, E; Kweon, H; Yiacoumi, S; Tsouris, C

    2012-04-01

    The adhesion of spores of Bacillus anthracis - the cause of anthrax and a likely biological threat - to solid surfaces is an important consideration in cleanup after an accidental or deliberate release. However, because of safety concerns, directly studying B. anthracis spores with advanced instrumentation is problematic. As a first step, we are examining the electrostatic potential of Bacillus thuringiensis (Bt), which is a closely related species that is often used as a simulant to study B. anthracis. Scanning surface potential microscopy (SSPM), also known as Kelvin probe force microscopy (KPFM), was used to investigate the influence of relative humidity (RH) on the surface electrostatic potential of Bt that had adhered to silica, mica, or gold substrates. AFM/SSPM side-by-side images were obtained separately in air, at various values of RH, after an aqueous droplet with spores was applied on each surface and allowed to dry before measurements. In the SSPM images, a negative potential on the surface of the spores was observed compared with that of the substrates. The surface potential decreased as the humidity increased. Spores were unable to adhere to a surface with an extremely negative potential, such as mica. Copyright © 2011 Elsevier B.V. All rights reserved.

  1. Atom-surface potentials and atom interferometry

    International Nuclear Information System (INIS)

    Babb, J.F.

    1998-01-01

    Long-range atom-surface potentials characterize the physics of many actual systems and are now measurable spectroscopically in deflection of atomic beams in cavities or in reflection of atoms in atomic fountains. For a ground state, spherically symmetric atom the potential varies as -1/R 3 near the wall, where R is the atom-surface distance. For asymptotically large distances the potential is weaker and goes as -1/R 4 due to retardation arising from the finite speed of light. This diminished interaction can also be interpreted as a Casimir effect. The possibility of measuring atom-surface potentials using atomic interferometry is explored. The particular cases studied are the interactions of a ground-state alkali-metal atom and a dielectric or a conducting wall. Accurate descriptions of atom-surface potentials in theories of evanescent-wave atomic mirrors and evanescent wave-guided atoms are also discussed. (author)

  2. Surface potential of the water liquid-vapor interface

    Science.gov (United States)

    Wilson, Michael A.; Pohorille, Andrew; Pratt, Lawrence R.

    1988-01-01

    An analysis of an extended molecular dynamics calculation of the surface potential (SP) of the water liquid-vapor interface is presented. The SP predicted by the TIP4P model is -(130 + or - 50) mV. This value is of reasonable magnitude but of opposite sign to the expectations based on laboratory experiments. The electrostatic potential shows a nonmonotonic variation with depth into the liquid.

  3. Global color variations on the Martian surface

    Science.gov (United States)

    Soderblom, L.A.; Edwards, K.; Eliason, E.M.; Sanchez, E.M.; Charette, M.P.

    1978-01-01

    Surface materials exposed throughout the equatorial region of Mars have been classified and mapped on the basis of spectral reflectance properties determined by the Viking II Orbiter vidicon cameras. Frames acquired at each of three wavelengths (0.45 ?? 0.03 ??m, 0.53 ?? 0.05 ??m, and 0.59 ?? 0.05 ??m) during the approach of Viking Orbiter II in Martian summer (Ls = 105??) were mosaicked by computer. The mosaics cover latitudes 30??N to 63??S for 360?? of longitude and have resolutions between 10 and 20 km per line pair. Image processing included Mercator transformation and removal of an average Martian photometric function to produce albedo maps at three wavelengths. The classical dark region between the equator and ???30??S in the Martian highlands is composed of two units: (i) and ancient unit consisting of topographic highs (ridges, crater rims, and rugged plateaus riddled with small dendritic channels) which is among the reddest on the planet (0.59/0.45 ??m {reversed tilde equals} 3); and (ii) intermediate age, smooth, intercrater volcanic plains displaying numerous mare ridges which are among the least red on Mars (0.59/0.45 ??m {reversed tilde equals} 2). The relatively young shield volcanoes are, like the oldest unit, dark and very red. Two probable eolian deposits are recognized in the intermediate and high albedo regions. The stratigraphically lower unit is intermediate in both color (0.59/ 0.45 ??m {reversed tilde equals} 2.5) and albedo. The upper unit has the highest albedo, is very red (0.59/0.45 ??m {reversed tilde equals} 3), and is apparently the major constituent of the annual dust storms as its areal extent changes from year to year. The south polar ice cap and condensate clouds dominate the southernmost part of the mosaics. ?? 1978.

  4. Computed potential energy surfaces for chemical reactions

    Science.gov (United States)

    Walch, Stephen P.; Levin, Eugene

    1993-01-01

    A new global potential energy surface (PES) is being generated for O(P-3) + H2 yields OH + H. This surface is being fit using the rotated Morse oscillator method, which was used to fit the previous POL-CI surface. The new surface is expected to be more accurate and also includes a much more complete sampling of bent geometries. A new study has been undertaken of the reaction N + O2 yields NO + O. The new studies have focused on the region of the surface near a possible minimum corresponding to the peroxy form of NOO. A large portion of the PES for this second reaction has been mapped out. Since state to state cross sections for the reaction are important in the chemistry of high temperature air, these studies will probably be extended to permit generation of a new global potential for reaction.

  5. Reactive solid surface morphology variation via ionic diffusion.

    Science.gov (United States)

    Sun, Zhenchao; Zhou, Qiang; Fan, Liang-Shih

    2012-08-14

    In gas-solid reactions, one of the most important factors that determine the overall reaction rate is the solid morphology, which can be characterized by a combination of smooth, convex and concave structures. Generally, the solid surface structure varies in the course of reactions, which is classically noted as being attributed to one or more of the following three mechanisms: mechanical interaction, molar volume change, and sintering. Here we show that if a gas-solid reaction involves the outward ionic diffusion of a solid-phase reactant then this outward ionic diffusion could eventually smooth the surface with an initial concave and/or convex structure. Specifically, the concave surface is filled via a larger outward diffusing surface pointing to the concave valley, whereas the height of the convex surface decreases via a lower outward diffusion flux in the vertical direction. A quantitative 2-D continuum diffusion model is established to analyze these two morphological variation processes, which shows consistent results with the experiments. This surface morphology variation by solid-phase ionic diffusion serves to provide a fourth mechanism that supplements the traditionally acknowledged solid morphology variation or, in general, porosity variation mechanisms in gas-solid reactions.

  6. The Variation of Electrochemical Cell Potentials with Temperature

    Science.gov (United States)

    Peckham, Gavin D.; McNaught, Ian J.

    2011-01-01

    Electrochemical cell potentials have no simple relationship with temperature but depend on the interplay between the sign and magnitude of the isothermal temperature coefficient, dE[degrees]/dT, and on the magnitude of the reaction quotient, Q. The variations in possible responses of standard and non-standard cell potentials to changes in the…

  7. Self-potential variations preceding earthquakes in central california

    International Nuclear Information System (INIS)

    Corwin, R.F.; Morrison, H.G.

    1977-01-01

    Two earthquakes in central California were preceded by anomalous variations in the horizontal electric field (self-potential) of the earth. The first variation was an anomaly of 90 mV amplitude across electrode dipoles of 630 and 640 m, which began 55 days before an earthquake of M=5, located 37 km NW of the dipoles. The second variation had an amplitude of 4 mV across a 300 m dipole, and began 110 hours before an event of M=2.4 located on the San Andreas fault, 2.5 km from the dipole. Streaming potentials generated by the flow of groundwater into a dilatant zone are proposed as a possible mechanism for the observed variations

  8. Potential energy surface of alanine polypeptide chains

    DEFF Research Database (Denmark)

    Solov'yov, Ilia; Yakubovich, Alexander V.; Solov'yov, Andrey V.

    2006-01-01

    The multidimensional potential energy surfaces of the peptide chains consisting of three and six alanine (Ala) residues have been studied with respect to the degrees of freedom related to the twist of these molecules relative to the peptide backbone (these degrees of freedom are responsible...

  9. Structural models of human eEF1A1 and eEF1A2 reveal two distinct surface clusters of sequence variation and potential differences in phosphorylation.

    Directory of Open Access Journals (Sweden)

    Dinesh C Soares

    2009-07-01

    Full Text Available Despite sharing 92% sequence identity, paralogous human translation elongation factor 1 alpha-1 (eEF1A1 and elongation factor 1 alpha-2 (eEF1A2 have different but overlapping functional profiles. This may reflect the differential requirements of the cell-types in which they are expressed and is consistent with complex roles for these proteins that extend beyond delivery of tRNA to the ribosome.To investigate the structural basis of these functional differences, we created and validated comparative three-dimensional (3-D models of eEF1A1 and eEF1A2 on the basis of the crystal structure of homologous eEF1A from yeast. The spatial location of amino acid residues that vary between the two proteins was thereby pinpointed, and their surface electrostatic and lipophilic properties were compared. None of the variations amongst buried amino acid residues are judged likely to have a major structural effect on the protein fold, or to affect domain-domain interactions. Nearly all the variant surface-exposed amino acid residues lie on one face of the protein, in two proximal but distinct sub-clusters. The result of previously performed mutagenesis in yeast may be interpreted as confirming the importance of one of these clusters in actin-bundling and filament disorganization. Interestingly, some variant residues lie in close proximity to, and in a few cases show differences in interactions with, residues previously inferred to be directly involved in binding GTP/GDP, eEF1Balpha and aminoacyl-tRNA. Additional sequence-based predictions, in conjunction with the 3-D models, reveal likely differences in phosphorylation sites that could reconcile some of the functional differences between the two proteins.The revelation and putative functional assignment of two distinct sub-clusters on the surface of the protein models should enable rational site-directed mutagenesis, including homologous reverse-substitution experiments, to map surface binding patches onto these

  10. Self-consistent potential variations in magnetic wells

    International Nuclear Information System (INIS)

    Kesner, J.; Knorr, G.; Nicholson, D.R.

    1981-01-01

    Self-consistent electrostatic potential variations are considered in a spatial region of weak magnetic field, as in the proposed tandem mirror thermal barriers (with no trapped ions). For some conditions, equivalent to ion distributions with a sufficiently high net drift speed along the magnetic field, the desired potential depressions are found. When the net drift speed is not high enough, potential depressions are found only in combination with strong electric fields on the boundaries of the system. These potential depressions are not directly related to the magnetic field depression. (author)

  11. Evaluating variations of genotype calling: a potential source of ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Genetics; Volume 89; Issue 1. Evaluating variations of genotype calling: a potential source of spurious associations in genome-wide association studies. Xuixiao Hong Zhenqiang Su Weigong Ge Leming Shi Roger Perkins Hong Fang Donna Mendrick Weida Tong. Research Article Volume 89 ...

  12. Correlation of ISS Electric Potential Variations with Mission Operations

    Science.gov (United States)

    Willis, Emily M.; Minow, Joseph I.; Parker, Linda Neergaard

    2014-01-01

    Spacecraft charging on the International Space Station (ISS) is caused by a complex combination of the low Earth orbit plasma environment, space weather events, operations of the high voltage solar arrays, and changes in the ISS configuration and orbit parameters. Measurements of the ionospheric electron density and temperature along the ISS orbit and variations in the ISS electric potential are obtained from the Floating Potential Measurement Unit (FPMU) suite of four plasma instruments (two Langmuir probes, a Floating Potential Probe, and a Plasma Impedance Probe) on the ISS. These instruments provide a unique capability for monitoring the response of the ISS electric potential to variations in the space environment, changes in vehicle configuration, and operational solar array power manipulation. In particular, rapid variations in ISS potential during solar array operations on time scales of tens of milliseconds can be monitored due to the 128 Hz sample rate of the Floating Potential Probe providing an interesting insight into high voltage solar array interaction with the space plasma environment. Comparing the FPMU data with the ISS operations timeline and solar array data provides a means for correlating some of the more complex and interesting ISS electric potential variations with mission operations. In addition, recent extensions and improvements to the ISS data downlink capabilities have allowed more operating time for the FPMU than ever before. The FPMU was operated for over 200 days in 2013 resulting in the largest data set ever recorded in a single year for the ISS. In this paper we provide examples of a number of the more interesting ISS charging events observed during the 2013 operations including examples of rapid charging events due to solar array power operations, auroral charging events, and other charging behavior related to ISS mission operations.

  13. Computed potential energy surfaces for chemical reactions

    Science.gov (United States)

    Walch, Stephen P.

    1994-01-01

    Quantum mechanical methods have been used to compute potential energy surfaces for chemical reactions. The reactions studied were among those believed to be important to the NASP and HSR programs and included the recombination of two H atoms with several different third bodies; the reactions in the thermal Zeldovich mechanism; the reactions of H atom with O2, N2, and NO; reactions involved in the thermal De-NO(x) process; and the reaction of CH(squared Pi) with N2 (leading to 'prompt NO'). These potential energy surfaces have been used to compute reaction rate constants and rates of unimolecular decomposition. An additional application was the calculation of transport properties of gases using a semiclassical approximation (and in the case of interactions involving hydrogen inclusion of quantum mechanical effects).

  14. Potential energy surface of triplet O4.

    Science.gov (United States)

    Paukku, Yuliya; Varga, Zoltan; Truhlar, Donald G

    2018-03-28

    We present a global ground-state potential energy surface (PES) for the triplet spin state of O 4 that is suitable for treating high-energy vibrational-rotational energy transfer and collision-induced dissociation in electronically adiabatic spin-conserving O 2 -O 2 collisions. The surface is based on MS-CASPT2/maug-cc-pVTZ electronic structure calculations with scaled external correlation; the active space has 16 electrons in 12 orbitals. The global ground-state potential energy surface was fitted by a many-body approach with an accurate O-O pairwise interaction and a fit of the many-body interaction potential to 10 180 electronic structure data points. The many-body fit is based on permutationally invariant polynomials in terms of bond-order functions of the six interatomic distances; the bond-order functions are mixed exponential-Gaussian functions. The geometries calculated and used for the fit include geometry scans corresponding to dissociative and vibrationally excited diatom-diatom collisions of O 2 , scans corresponding to O 3 interacting with O, additional geometries identified by running trajectories, and geometries along linear synchronous transit paths connecting randomly selected points. The global O 4 PES includes subsurfaces describing the interaction of diatomic molecules with other diatomic molecules or interactions of triatomic molecules and an atom. The interaction of ozone with a ground-state oxygen atom occurs on the triplet O 4 surface, and our surface includes high-energy points with O 3 -O geometries as well as O 2 -O 2 geometries and O 2 -O-O geometries.

  15. Pseudospectral Gaussian quantum dynamics: Efficient sampling of potential energy surfaces.

    Science.gov (United States)

    Heaps, Charles W; Mazziotti, David A

    2016-04-28

    Trajectory-based Gaussian basis sets have been tremendously successful in describing high-dimensional quantum molecular dynamics. In this paper, we introduce a pseudospectral Gaussian-based method that achieves accurate quantum dynamics using efficient, real-space sampling of the time-dependent basis set. As in other Gaussian basis methods, we begin with a basis set expansion using time-dependent Gaussian basis functions guided by classical mechanics. Unlike other Gaussian methods but characteristic of the pseudospectral and collocation methods, the basis set is tested with N Dirac delta functions, where N is the number of basis functions, rather than using the basis function as test functions. As a result, the integration for matrix elements is reduced to function evaluation. Pseudospectral Gaussian dynamics only requires O(N) potential energy calculations, in contrast to O(N(2)) evaluations in a variational calculation. The classical trajectories allow small basis sets to sample high-dimensional potentials. Applications are made to diatomic oscillations in a Morse potential and a generalized version of the Henon-Heiles potential in two, four, and six dimensions. Comparisons are drawn to full analytical evaluation of potential energy integrals (variational) and the bra-ket averaged Taylor (BAT) expansion, an O(N) approximation used in Gaussian-based dynamics. In all cases, the pseudospectral Gaussian method is competitive with full variational calculations that require a global, analytical, and integrable potential energy surface. Additionally, the BAT breaks down when quantum mechanical coherence is particularly strong (i.e., barrier reflection in the Morse oscillator). The ability to obtain variational accuracy using only the potential energy at discrete points makes the pseudospectral Gaussian method a promising avenue for on-the-fly dynamics, where electronic structure calculations become computationally significant.

  16. Variation in buccal surface morphology of deciduous first molars.

    Science.gov (United States)

    Simratvir, M; Moghe, G; Singh, D; Dhillon, K

    2012-01-01

    The buccal bulge of the deciduous first molars has always been a restorative challenge to the pediatric dentist. Morphologically it may vary from a slight prominence to a well-developed cusp-like structure. This study was conducted to determine the variable buccal surface morphology of deciduous first molar and its clinical relevance. A prospective study was conducted whereby 2016 patients visiting the outpatient clinic of dental hospital over 1 year were evaluated. Any variation in buccal surface morphology of the deciduous first molars was recorded photographically or by replicating in dental stone. Varied morphological patterns on buccal surface were observed for which a new classification scheme has been proposed. The surface morphology of deciduous teeth crowns must be studied carefully as it may be indicative of pulpal extensions and accessory roots, requiring consideration during restorative treatment planning.

  17. Diurnal and seasonal variations of surface water vapour density ...

    African Journals Online (AJOL)

    Diurnal and seasonal variations of surface water vapour density over some meteorological stations in Nigeria. ... Ife Journal of Science ... the three Sahelian stations, was 5.29±0.39; while during the rainy season, they were 21.72±1.22, 19.60±0.12 and 19.47±0.07 for the Southern, Midland and Northern regions respectively.

  18. Variations of surface ozone concentration across the Klang Valley, Malaysia

    Science.gov (United States)

    Latif, Mohd Talib; Huey, Lim Shun; Juneng, Liew

    2012-12-01

    Hourly air quality data covering the period 2004-2008 was obtained from the Air Quality Division, the Department of Environment (DOE) through long-term monitoring by Alam Sekitar Sdn. Bhd. (ASMA) were analysed to investigate the variations of surface ozone (O3) in the Klang Valley, Malaysia. A total of nine monitoring stations were selected for analysis in this study and the results show that there are distinct seasonal patterns in the surface O3 across the Klang Valley. A high surface O3 concentration is usually observed between January and April, while a low surface O3 concentration is found between June and August. Analysis of daily variations in surface O3 and the precursors - NO, NO2, CO, NMHC and UVb, indicate that the surface O3 photochemistry in this study area exhibits a positive response to the intensity and wavelength in UVb while being influenced by the concentration of NOx, particularly through tritration processes. Although results from our study suggested that NMHCs may influence the maximum O3 concentration, further investigation is required. Wind direction during different monsoons was found to influence the concentration of O3 around the Klang Valley. HYSPLIT back trajectories (-72 h) were used to indicate the air-mass transport patterns on days with high concentrations of surface O3 in the study area. Results show that 47% of the high O3 days was associated with the localized circulation. The remaining 32% and 22% were associated with mid-range and long-range transport across the South China Sea from the northeast.

  19. Theoretical studies of potential energy surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Harding, L.B. [Argonne National Laboratory, IL (United States)

    1993-12-01

    The goal of this program is to calculate accurate potential energy surfaces (PES) for both reactive and nonreactive systems. To do this the electronic Schrodinger equation must be solved. Our approach to this problem starts with multiconfiguration self-consistent field (MCSCF) reference wavefunctions. These reference wavefunctions are designed to be sufficiently flexible to accurately describe changes in electronic structure over a broad range of geometries. Electron correlation effects are included via multireference, singles and doubles configuration interaction (MRSDCI) calculations. With this approach, the authors are able to provide useful predictions of the energetics for a broad range of systems.

  20. Surface ultraviolet radiation over east Siberia: seasonal variations

    Directory of Open Access Journals (Sweden)

    A. V. Mikhalev

    Full Text Available The results of spectral measurements of the daily near-noon surface direct solar ultraviolet radiation in the wavelength range of 295–345 nm obtained in Irkutsk (East Siberia for the time interval of 1998–2000 are presented. For the period under consideration, the seasonal UV radiation variations are analysed that are associated with the total ozone dynamics, the transition of cyclonic and anticyclonic (Siberian anticyclone periods, the presence of snow cover, and other factors. The analysis reveals an asymmetric behaviour of the seasonal course in ground-level UV radiation around the time of the summer solstice, with seasonal variation dependence on the wavelength. We have determined the irregular variations of surface UV radiation that is typical for the region, with their properties dependent on the season and on the spectral range analysed. The similarity of the above noted features from year to year was revealed.

    Key words. Atmospheric composition and structure (Transmission and scattering of radiation; instruments and techniques – Meteorology and atmospheric dynamics (middle atmosphere dynamics

  1. Constructing ab initio and empirical potential energy surfaces for water

    International Nuclear Information System (INIS)

    Kain, Jacqueline Sophie

    2001-01-01

    The infrared spectrum of water is possibly one of the most well studied and yet portions of it are still poorly understood. Recently, significant advances have been made in assigning water spectra using variational nuclear calculations. The major factor determining the accuracy of ro-vibrational spectra of water is the accuracy of the underlying Potential Energy Surface. Even the most accurate ab initio Potential Energy Surface does not reproduce the Born-Oppenheimer surface to sufficient accuracy for spectroscopic studies. Furthermore, effects beyond this model such as the adiabatic correction, the relativistic correction and the non-adiabatic correction have to be considered. This thesis includes a discussion on how the relativistic correction was calculated, for the water molecule, from first-order perturbation theory. The relativistic correction improved vibrational stretching motion while making the prediction of the bending modes far worse. For rotational motion the relativistic effect had an increasing effect with increasing Ka. A further alteration to the ab initio calculations is introduced by adjusting the barrier to linearity in the water potential. This alteration to the barrier was considered in order to compensate for the lack of convergence of quantum chemical calculations of the Born-Oppenheimer surface. This barrier attempts to represent the change in the potential from linear to equilibrium. We show the improvements this has on the calculated energy levels by comparison with the HITRAN database. This then led the way to the improved spectroscopic potential presented here in this thesis. This new spectroscopic potential reduces the overall standard deviation significantly for vibrational and rotational energy levels. (author)

  2. Variations in sea surface roughness induced by the 2004 Sumatra-Andaman tsunami

    Directory of Open Access Journals (Sweden)

    O. A. Godin

    2009-07-01

    Full Text Available Observations of tsunamis away from shore are critically important for improving early warning systems and understanding of tsunami generation and propagation. Tsunamis are difficult to detect and measure in the open ocean because the wave amplitude there is much smaller than it is close to shore. Currently, tsunami observations in deep water rely on measurements of variations in the sea surface height or bottom pressure. Here we demonstrate that there exists a different observable, specifically, ocean surface roughness, which can be used to reveal tsunamis away from shore. The first detailed measurements of the tsunami effect on sea surface height and radar backscattering strength in the open ocean were obtained from satellite altimeters during passage of the 2004 Sumatra-Andaman tsunami. Through statistical analyses of satellite altimeter observations, we show that the Sumatra-Andaman tsunami effected distinct, detectable changes in sea surface roughness. The magnitude and spatial structure of the observed variations in radar backscattering strength are consistent with hydrodynamic models predicting variations in the near-surface wind across the tsunami wave front. Tsunami-induced changes in sea surface roughness can be potentially used for early tsunami detection by orbiting microwave radars and radiometers, which have broad surface coverage across the satellite ground track.

  3. Genetic variation and significance of hepatitis B surface antigen

    Directory of Open Access Journals (Sweden)

    ZHANG Zhenhua

    2013-11-01

    Full Text Available Hepatitis B virus (HBV is prone to genetic variation because there is reverse transcription in the process of HBV replication. The gene mutation of hepatitis B surface antigen may affect clinical diagnosis of HBV infection, viral replication, and vaccine effect. The current research and existing problems are discussed from the following aspects: the mechanism and biological and clinical significance of S gene mutation. Most previous studies focused on S gene alone, so S gene should be considered as part of HBV DNA in the future research on S gene mutation.

  4. Behavioral Variation in Gorillas: Evidence of Potential Cultural Traits.

    Science.gov (United States)

    Robbins, Martha M; Ando, Chieko; Fawcett, Katherine A; Grueter, Cyril C; Hedwig, Daniela; Iwata, Yuji; Lodwick, Jessica L; Masi, Shelly; Salmi, Roberta; Stoinski, Tara S; Todd, Angelique; Vercellio, Veronica; Yamagiwa, Juichi

    2016-01-01

    The question of whether any species except humans exhibits culture has generated much debate, partially due to the difficulty of providing conclusive evidence from observational studies in the wild. A starting point for demonstrating the existence of culture that has been used for many species including chimpanzees and orangutans is to show that there is geographic variation in the occurrence of particular behavioral traits inferred to be a result of social learning and not ecological or genetic influences. Gorillas live in a wide variety of habitats across Africa and they exhibit flexibility in diet, behavior, and social structure. Here we apply the 'method of exclusion' to look for the presence/absence of behaviors that could be considered potential cultural traits in well-habituated groups from five study sites of the two species of gorillas. Of the 41 behaviors considered, 23 met the criteria of potential cultural traits, of which one was foraging related, nine were environment related, seven involved social interactions, five were gestures, and one was communication related. There was a strong positive correlation between behavioral dissimilarity and geographic distance among gorilla study sites. Roughly half of all variation in potential cultural traits was intraspecific differences (i.e. variability among sites within a species) and the other 50% of potential cultural traits were differences between western and eastern gorillas. Further research is needed to investigate if the occurrence of these traits is influenced by social learning. These findings emphasize the importance of investigating cultural traits in African apes and other species to shed light on the origin of human culture.

  5. Energy conservation potential of surface modification technologies

    Energy Technology Data Exchange (ETDEWEB)

    Le, H.K.; Horne, D.M.; Silberglitt, R.S.

    1985-09-01

    This report assesses the energy conservation impact of surface modification technologies on the metalworking industries. The energy conservation impact of surface modification technologies on the metalworking industries is assessed by estimating their friction and wear tribological sinks and the subsequent reduction in these sinks when surface modified tools are used. Ion implantation, coatings, and laser and electron beam surface modifications are considered.

  6. Computed potential energy surfaces for chemical reactions

    Science.gov (United States)

    Walch, Stephen P.

    1988-01-01

    The minimum energy path for the addition of a hydrogen atom to N2 is characterized in CASSCF/CCI calculations using the (4s3p2d1f/3s2p1d) basis set, with additional single point calculations at the stationary points of the potential energy surface using the (5s4p3d2f/4s3p2d) basis set. These calculations represent the most extensive set of ab initio calculations completed to date, yielding a zero point corrected barrier for HN2 dissociation of approx. 8.5 kcal mol/1. The lifetime of the HN2 species is estimated from the calculated geometries and energetics using both conventional Transition State Theory and a method which utilizes an Eckart barrier to compute one dimensional quantum mechanical tunneling effects. It is concluded that the lifetime of the HN2 species is very short, greatly limiting its role in both termolecular recombination reactions and combustion processes.

  7. Modeling seasonal surface temperature variations in secondary tropical dry forests

    Science.gov (United States)

    Cao, Sen; Sanchez-Azofeifa, Arturo

    2017-10-01

    Secondary tropical dry forests (TDFs) provide important ecosystem services such as carbon sequestration, biodiversity conservation, and nutrient cycle regulation. However, their biogeophysical processes at the canopy-atmosphere interface remain unknown, limiting our understanding of how this endangered ecosystem influences, and responds to the ongoing global warming. To facilitate future development of conservation policies, this study characterized the seasonal land surface temperature (LST) behavior of three successional stages (early, intermediate, and late) of a TDF, at the Santa Rosa National Park (SRNP), Costa Rica. A total of 38 Landsat-8 Thermal Infrared Sensor (TIRS) data and the Surface Reflectance (SR) product were utilized to model LST time series from July 2013 to July 2016 using a radiative transfer equation (RTE) algorithm. We further related the LST time series to seven vegetation indices which reflect different properties of TDFs, and soil moisture data obtained from a Wireless Sensor Network (WSN). Results showed that the LST in the dry season was 15-20 K higher than in the wet season at SRNP. We found that the early successional stages were about 6-8 K warmer than the intermediate successional stages and were 9-10 K warmer than the late successional stages in the middle of the dry season; meanwhile, a minimum LST difference (0-1 K) was observed at the end of the wet season. Leaf phenology and canopy architecture explained most LST variations in both dry and wet seasons. However, our analysis revealed that it is precipitation that ultimately determines the LST variations through both biogeochemical (leaf phenology) and biogeophysical processes (evapotranspiration) of the plants. Results of this study could help physiological modeling studies in secondary TDFs.

  8. Potential Value of Genomic Copy Number Variations in Schizophrenia

    Directory of Open Access Journals (Sweden)

    Chuanjun Zhuo

    2017-06-01

    Full Text Available Schizophrenia is a devastating neuropsychiatric disorder affecting approximately 1% of the global population, and the disease has imposed a considerable burden on families and society. Although, the exact cause of schizophrenia remains unknown, several lines of scientific evidence have revealed that genetic variants are strongly correlated with the development and early onset of the disease. In fact, the heritability among patients suffering from schizophrenia is as high as 80%. Genomic copy number variations (CNVs are one of the main forms of genomic variations, ubiquitously occurring in the human genome. An increasing number of studies have shown that CNVs account for population diversity and genetically related diseases, including schizophrenia. The last decade has witnessed rapid advances in the development of novel genomic technologies, which have led to the identification of schizophrenia-associated CNVs, insight into the roles of the affected genes in their intervals in schizophrenia, and successful manipulation of the target CNVs. In this review, we focus on the recent discoveries of important CNVs that are associated with schizophrenia and outline the potential values that the study of CNVs will bring to the areas of schizophrenia research, diagnosis, and therapy. Furthermore, with the help of the novel genetic tool known as the Clustered Regularly Interspaced Short Palindromic Repeats-associated nuclease 9 (CRISPR/Cas9 system, the pathogenic CNVs as genomic defects could be corrected. In conclusion, the recent novel findings of schizophrenia-associated CNVs offer an exciting opportunity for schizophrenia research to decipher the pathological mechanisms underlying the onset and development of schizophrenia as well as to provide potential clinical applications in genetic counseling, diagnosis, and therapy for this complex mental disease.

  9. A variational approach to closed bosonic strings on bordered Riemann surfaces

    International Nuclear Information System (INIS)

    Ohrndorf, T.

    1987-01-01

    Polyakov's path integral for bosonic closed strings defined on a bordered Riemann surface is investigated by variational methods. It is demonstrated that boundary variations are generated by the Virasoro operators. The investigation is performed for both, simply connected Riemann surfaces as well as ringlike domains. It is shown that the form of the variational operator is the same on both kinds of surfaces. The Virasoro algebra arises as a consistency condition for the variation. (orig.)

  10. Nocturnal variation of air-surface temperature gradients for typical urban and rural surfaces

    Science.gov (United States)

    Swaid, Hanna

    The nocturnal variation of the standard atmospheric air-ground surface temperature gradient under fair weather conditions is considered. A semi-analytical model in the form of an exponential response function is proposed and experimentally verified against field observations conducted by the author at Haifa ( ca 32°N) and by others at various geographical locations. The proposed model is intended to predict the sought gradient variation with the aid of an experimentally derived parameter (a time constant) which is directly proportional to the thermal inertia of the substrate matter beneath the surface in question. Among the impervious ground-cover types widely encountered in urban environments, concrete surfaces exhibit the highest time constant of about 10 h, while that of bare dry rural soil is 6.5 h. Turf and wet soil surfaces, common in rural environments, have time constants of 3.6 and 10.8 h, respectively. Applicability of the proposed model to the exterior surfaces of building-envelope elements is also discussed, as are the implications of the present findings regarding the causative factors of urban heat islands.

  11. Identifying Potential Regions of Copy Number Variation for Bipolar Disorder

    Directory of Open Access Journals (Sweden)

    Yi-Hsuan Chen

    2014-02-01

    Full Text Available Bipolar disorder is a complex psychiatric disorder with high heritability, but its genetic determinants are still largely unknown. Copy number variation (CNV is one of the sources to explain part of the heritability. However, it is a challenge to estimate discrete values of the copy numbers using continuous signals calling from a set of markers, and to simultaneously perform association testing between CNVs and phenotypic outcomes. The goal of the present study is to perform a series of data filtering and analysis procedures using a DNA pooling strategy to identify potential CNV regions that are related to bipolar disorder. A total of 200 normal controls and 200 clinically diagnosed bipolar patients were recruited in this study, and were randomly divided into eight control and eight case pools. Genome-wide genotyping was employed using Illumina Human Omni1-Quad array with approximately one million markers for CNV calling. We aimed at setting a series of criteria to filter out the signal noise of marker data and to reduce the chance of false-positive findings for CNV regions. We first defined CNV regions for each pool. Potential CNV regions were reported based on the different patterns of CNV status between cases and controls. Genes that were mapped into the potential CNV regions were examined with association testing, Gene Ontology enrichment analysis, and checked with existing literature for their associations with bipolar disorder. We reported several CNV regions that are related to bipolar disorder. Two CNV regions on chromosome 11 and 22 showed significant signal differences between cases and controls (p < 0.05. Another five CNV regions on chromosome 6, 9, and 19 were overlapped with results in previous CNV studies. Experimental validation of two CNV regions lent some support to our reported findings. Further experimental and replication studies could be designed for these selected regions.

  12. Urban Surfaces and Heat Island Mitigation Potentials

    Energy Technology Data Exchange (ETDEWEB)

    Akbari, Hashem; Akbari, Hashem; Shea Rose, Leanna

    2007-06-14

    Data on materials and surface types that comprise a city, i.e. urban fabric, are needed in order to estimate the effects of light-colored surfaces (roofs and pavements) and urban vegetation (trees, grass, shrubs) on the meteorology and air quality of a city. We discuss the results of a semi-automatic statistical approach used to develop data on surface-type distribution and urban-fabric makeup using aerial color orthophotography, for four metropolitan areas of Chicago, IL, Houston, TX, Sacramento, CA, and Salt Lake City, UT. The digital high resolution (0.3 to 0.5-m) aerial photographs for each of these metropolitan areas covers representative urban areas ranging from 30 km{sup 2} to 52 km{sup 2}. Major land-use types examined included: commercial, residential, industrial, educational, and transportation. On average, for the metropolitan areas studied, vegetation covers about 29-41% of the area, roofs 19-25%, and paved surfaces 29-39%. For the most part, trees shade streets, parking lots, grass, and sidewalks. At ground level, i.e., view from below the tree canopies, vegetation covers about 20-37% of the area, roofs 20-25%, and paved surfaces 29-36%.

  13. Critical heat flux variations on CANDU calandria tube surface

    Energy Technology Data Exchange (ETDEWEB)

    Behdadi, A.; Luxat, J.C., E-mail: behdada@mcmaster.ca, E-mail: luxatj@mcmaster.ca [McMaster Univ., Engineering Physics Dept., Hamilton, Ontario (Canada)

    2012-07-01

    Heavy water moderator surrounding each fuel channel is one of the important safety features in CANDU reactors since it provides an in-situ passive heat sink for the fuel in situations where other engineered means of heat removal from fuel channels have failed. In a critical break LOCA scenario, fuel cooling becomes severely degraded due to rapid flow reduction in the affected flow pass of the heat transport system. This can result in pressure tubes experiencing significant heat-up during early stages of the accident when coolant pressure is still high, thereby causing uniform thermal creep strain (ballooning) of the pressure tube (PT) into contact with its calandria tube (CT). The contact of the hot PT with the CT causes rapid redistribution of stored heat from the PT to CT and a large heat flux spike from the CT to the moderator fluid. For conditions where subcooling of the moderator fluid is low, this heat flux spike can cause dryout of the CT. This can detrimentally affect channel integrity if the CT post-dryout temperature becomes sufficiently high to result in continued thermal creep strain deformation of both the PT and the CT. The focus of this work is to develop a mechanistic model to predict Critical Heat Flux (CHF) on the CT surface following a contact with its pressure tube. A mechanistic CHF model is applied based on a concept of wall dry patch formation, prevention of rewetting and subsequent dry patch spreading. Results have been compared to an empirical correlation and a good agreement has been obtained. The model has been used to predict the spatial variation of CHF over a cylinder with dimensions of CANDU CT. (author)

  14. Frequency response in surface-potential driven electrohydrodynamics

    DEFF Research Database (Denmark)

    Ejsing, Louise Wellendorph; Smistrup, Kristian; Pedersen, Christian Møller

    2006-01-01

    capacitance where the net flow rate is, in general, zero while harmonic rolls as well as time-averaged vortexlike components may exist depending on the spatial symmetry and extension of the surface potential. In general, the system displays a resonance behavior at a frequency corresponding to the inverse RC...... time of the system. Different surface potentials share the common feature that the resonance frequency is inversely proportional to the characteristic length scale of the surface potential. For the asymptotic frequency dependence above resonance we find a omega(-2) power law for surface potentials...

  15. Bernoulli potential at a superconductor surface

    Czech Academy of Sciences Publication Activity Database

    Lipavský, Pavel; Koláček, Jan; Mareš, Jiří J.; Morawetz, K.

    2001-01-01

    Roč. 65, - (2001), s. 012507-1-012507-3 ISSN 0163-1829 R&D Projects: GA ČR GA202/00/0643; GA ČR GA202/99/0410; GA AV ČR IAA1010806; GA AV ČR IAA1010919 Institutional research plan: CEZ:AV0Z1010914 Keywords : Hall effect * Bernoulli potential Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.070, year: 2001

  16. The electric potential of the lunar surface

    Science.gov (United States)

    Fenner, M. A.; Freeman, J. W., Jr.; Hills, H. K.

    1973-01-01

    Acceleration and detection of the lunar thermal ionosphere in the presence of the lunar electric field yields a value of at least +10 V for the lunar electric potential for solar zenith angles between approximately 20 and 45 deg and in the magnetosheath or solar wind. An enhanced positive ion flux is observed with the ALSEP Suprathermal Ion Detector when a pre-acceleration voltage attains certain values. This enhancement is greater when the moon is in the solar wind as opposed to the magnetosheath.

  17. Predicting Near-Surface Meteorological Variations over Different Vegetation Types

    NARCIS (Netherlands)

    Hutjes, R.W.A.; Klaassen, W.; Kruijt, B.; Veen, A.W.L.

    1991-01-01

    Meteorological conditions close to a surface are strongly influenced by the properties of the surface itself. As a result, input data for models calculating evaporation of surfaces differing from the measurement site need to be transformed. A transformation scheme proposed previously is tested on

  18. Lunar electric fields, surface potential and associated plasma sheaths

    Science.gov (United States)

    Freeman, J. W.; Ibrahim, M.

    1975-01-01

    A review is given of studies of the electric-field environment of the moon. Surface electric potentials are reported for the dayside and terminator regions, electron and ion densities in the plasma sheath adjacent to each surface-potential regime are evaluated, and the corresponding Debye lengths are estimated. The electric fields, which are approximated by the surface potential over the Debye length, are shown to be at least three orders of magnitude higher than the pervasive solar-wind electric field and to be confined to within a few tens of meters of the lunar surface.

  19. Green's functions potential fields on surfaces

    CERN Document Server

    Melnikov, Yuri A

    2017-01-01

    This book is comprehensive in its classical mathematical physics presentation, providing the reader with detailed instructions for obtaining Green's functions from scratch. Green's functions is an instrument easily accessible to practitioners who are engaged in design and exploitation of machines and structures in modern engineering practice. To date, there are no books available on the market that are devoted to the Green's function formalism for equations covered in this volume. The reader, with an undergraduate background in applied mathematics, can become an active user of the Green's function approach. For the first time, Green's functions are discussed for a specific class of problems dealing with potential fields induced in thin-wall structures and therefore, the reader will have first-hand access to a novel issue. This Work is accessible to researchers in applied mathematics, mechanics, and relevant disciplines such as engineering, as well as to upper level undergraduates and graduate students.

  20. Surface Potential of Polycrystalline Hematite in Aqueous Medium

    Directory of Open Access Journals (Sweden)

    Tajana Preočanin

    2011-01-01

    Full Text Available The surface potential of polycrystalline hematite in aqueous sodium perchlorate environment as a function of pH was examined. Surface potential of hematite was obtained from measured electrode potential of a nonporous polycrystalline hematite electrode. Acidic solution was titrated with base, and the backward titration with acid was performed. Substantial hysteresis was obtained which enabled location of the point of zero potential and equilibrium values of surface potentials. The theoretical interpretation of the equilibrium data was performed by applying the surface complexation model and the thermodynamic equilibrium constants for the first and the second step of surface protonation was obtained as logK1∘=11.3;logK2∘=2.8.

  1. Surface potential modeling and reconstruction in Kelvin probe force microscopy.

    Science.gov (United States)

    Xu, Jie; Wu, Yangqing; Li, Wei; Xu, Jun

    2017-09-08

    Kelvin probe force microscopy (KPFM) measurement has been extensively applied in metallic, semiconductor and organic electronic or photovoltaic devices, to characterize the local contact potential difference or surface potential of the samples at the nanoscale. Here, a comprehensive modeling of surface potential in KPFM is established, from the well-known single capacitance model to a precise electrodynamic model, considering the long range property of the electrostatic force in KPFM. The limitations and relations of different models are also discussed. Besides, the feedback condition of the KPFM system is reconsidered and modified, showing that the influence of the cantilever has been overestimated by about 20% in previous reports. Afterwards, the surface potential of charged Si-nanocrystals is reconstructed based on the electrodynamic model, and the calculated surface charge density is very consistent with the macroscopic capacitance-voltage (C-V) measurement. A deep understanding and correct reconstruction of surface potential is crucial to the quantitative analysis of KPFM results.

  2. Spatial variation in spoil and vegetative characteristics of pastures on reclaimed surface mined land

    International Nuclear Information System (INIS)

    Teutsch, C.D.; Collins, M.; Ditsch, D.C.

    1999-01-01

    Kentucky has large areas of reclaimed surface mined land that could provide grazing for livestock. Research is needed to determine optimal stocking densities and to evaluate the sustainability of such grazing systems for this region. A long-term grazing study was initiated in 1997 on 151 ha of reclaimed land near Chavies, KY to determine spatial and temporal variation with stocking densities of 0, 0.28, 0.42, or 0.83 beef cow-calf units/ha. Global Positioning System and GIS technologies were used to establish pasture boundaries, locate permanent sampling markers at a density of 1 per 0.4 ha, and interpolate maps of physical, spoil, and vegetable pasture characteristics. Herbage and spoil samples were collected around the permanent markers in May of 1997. Stepwise regression was used to determine factors affecting the vegetative characteristics of the sites. Biomass density ranged from 0 to 2500 kg/ha with a mean of 570 kg/ha. Factors affecting biomass included legume and weed proportions in the sward, grazing activity, soil potassium, elevation, and potential acidity, cumulatively accounting for 32% of the variation. Ground cover ranged from 10 to 100% with an average of 74%. Soil pH, potassium, and grass in the sward accounted for 14% of the variation in ground cover. Legumes made up 0 to 61% of the sward with a mean of 13% over the pasture area. Variables affecting the amount of legume in the sward included biomass density, slope, elevation, pH, and stocking density, together accounting for 21% of the variation. Spatial variation in the physical, spoil, and vegetative characteristics of the pastures was large. Overall, regression accounted for a limited amount of the variation in the vegetative characteristics of the site indicating that other important variables exist

  3. Variation in size of blood puddles on different surfaces.

    Science.gov (United States)

    Kreutziger, Janett; Haim, Andreas; Jonsson, Kim; Wenzel, Volker; Stark, Matthias; Nussbaumer, Walter

    2014-10-01

    It is known that visual estimation of blood loss is inaccurate independently from experience and qualification of rescuers or members of hospital staff. There is no information available about the size of a puddle of blood for a given amount of blood depending on the surface. This pilot study evaluated the size of blood puddles on various surfaces. Human blood was portioned in standardized amounts of fluid and poured on different surfaces: wooden and polyvinyl chloride (PVC) floors, flagging, carpet, asphalt, concrete, forest soil, mattress and towel. The resulting puddles of blood were documented by digital photos and their surface areas measured using a computer. The largest blood puddles were found on even surfaces such as PVC floors and concrete, and the smallest blood puddles were found on forest soil and carpet. When blood volume was 100 ml, the difference between the smallest and the largest blood puddle added up to a factor of 13.8 (77 cm forest soil, 1061 cm PVC). This factor was comparable in all other blood amounts on these two surfaces (13.7 with 250 ml, 13.0 with 500 ml, 13.5 with 1000 ml). A table with objects of daily life of comparable size (CD, letter, newspaper, etc.) was added for teaching purposes. The size of puddles of blood depended strongly on the type of surface. Up to 13 times larger blood puddles were found on hard and nonabsorbant surfaces (PVC, concrete) than on absorbant surfaces such as carpet or forest soil.

  4. Disordered electrical potential observed on the surface of SiO2 by electric field microscopy

    International Nuclear Information System (INIS)

    GarcIa, N; Yan Zang; Ballestar, A; Barzola-Quiquia, J; Bern, F; Esquinazi, P

    2010-01-01

    The electrical potential on the surface of ∼300 nm thick SiO 2 grown on single-crystalline Si substrates has been characterized at ambient conditions using electric field microscopy. Our results show an inhomogeneous potential distribution with fluctuations up to ∼0.4 V within regions of 1 μm. The potential fluctuations observed at the surface of these usual dielectric holders of graphene sheets should induce strong variations in the graphene charge densities and provide a simple explanation for some of the anomalous behaviors of the transport properties of graphene.

  5. Relevance of decadal variations in surface radiative fluxes for climate change

    Science.gov (United States)

    Wild, Martin

    2013-05-01

    Recent evidence suggests that radiative fluxes incident at Earth's surface are not stable over time but undergo significant changes on decadal timescales. This is not only found in the thermal spectral range, where an increase in the downwelling flux is expected due to the increasing greenhouse effect, but also in the solar spectral range. Observations suggest that surface solar radiation, after a period of decline from the 1950s to the 1980s ("global dimming"), reversed into a "brightening" since the mid-1980s at widespread locations, often in line with changes in anthropogenic air pollution. These decadal variations observed in both solar and thermal surface radiative fluxes have the potential to affect various aspects of climate change. Discussed here are specifically the evidence for potential effects on global warming, as seen in asymmetries in hemispheric warming rates as well as in differences in the decadal warming rates over land and oceans. These variations in observed warming rates fit well to our conceptual understanding of how aerosol and greenhouse gas-induced changes in the surface radiative fluxes should affect global warming. Specifically, on the Northern Hemisphere, the suppression of warming from the 1950s to the 1980s fits to the concurrent dimming and increasing air pollution, while the accelerated warming from the 1980s to 2000 matches with the brightening and associated reduction in pollution levels. The suppression of warming from the 1950s to the 1980s is even somewhat stronger over oceans than over land, in line with the conceptual idea that aerosol-induced dimming and brightening tendencies may be enhanced through cloud aerosol interactions particularly over the pristine ocean areas. On the Southern Hemisphere, the absence of significant pollution levels as well as trend reversals therein, fit to the observed stable warming rates over the entire 1950 to 2000 period.

  6. Summary of 2006 to 2010 FPMU Measurements of International Space Station Frame Potential Variations

    Science.gov (United States)

    Minow, Joseph I.; Wright, Kenneth H., Jr.; Chandler, Michael O.; Coffey, Victoria N.; Craven, Paul D.; Schneider, Todd A.; Parker, Linda N.; Ferguson, Dale C.; Koontz, Steve L.; Alred, John W.

    2010-01-01

    Electric potential variations on the International Space Station (ISS) structure in low Earth orbit are dominated by contributions from interactions of the United States (US) 160 volt solar arrays with the relatively high density, low temperature plasma environment and inductive potentials generated by motion of the large vehicle across the Earth?s magnetic field. The Floating Potential Measurement Unit (FPMU) instrument suite comprising two Langmuir probes, a plasma impedance probe, and a floating potential probe was deployed in August 2006 for use in characterizing variations in ISS potential, the state of the ionosphere along the ISS orbit and its effect on ISS charging, evaluating effects of payloads and visiting vehicles, and for supporting ISS plasma hazard assessments. This presentation summarizes observations of ISS frame potential variations obtained from the FPMU from deployment in 2006 through the current time. We first describe ISS potential variations due to current collection by solar arrays in the day time sector of the orbit including eclipse exit and entry charging events, potential variations due to plasma environment variations in the equatorial anomaly, and visiting vehicles docked to the ISS structure. Next, we discuss potential variations due to inductive electric fields generated by motion of the vehicle across the geomagnetic field and the effects of external electric fields in the ionosphere. Examples of night time potential variations at high latitudes and their possible relationship to auroral charging are described and, finally, we demonstrate effects on the ISS potential due to European Space Agency and US plasma contactor devices.

  7. An Accurate Potential Energy Surface for H2O

    Science.gov (United States)

    Schwenke, David W.; Partridge, Harry; Langhoff, Stephen R. (Technical Monitor)

    1997-01-01

    We have carried out extensive high quality ab initio electronic structure calculations of the ground state potential energy surface (PES) and dipole moment function (DMF) for H2O. A small adjustment is made to the PES to improve the agreement of line positions from theory and experiment. The theoretical line positions are obtained from variational ro-vibrational calculations using the exact kinetic energy operator. For the lines being fitted, the root-mean-square error was reduced from 6.9 to 0.08 /cm. We were then able to match 30,092 of the 30,117 lines from the HITRAN 96 data base to theoretical lines, and 80% of the line positions differed less than 0.1 /cm. About 3% of the line positions in the experimental data base appear to be incorrect. Theory predicts the existence of many additional weak lines with intensities above the cutoff used in the data base. To obtain results of similar accuracy for HDO, a mass dependent correction to the PH is introduced and is parameterized by simultaneously fitting line positions for HDO and D2O. The mass dependent PH has good predictive value for T2O and HTO. Nonadiabatic effects are not explicitly included. Line strengths for vibrational bands summed over rotational levels usually agree well between theory and experiment, but individual line strengths can differ greatly. A high temperature line list containing about 380 million lines has been generated using the present PES and DMF

  8. Variation of surface electric field during geomagnetic disturbed ...

    Indian Academy of Sciences (India)

    storm current generators, through the ionosphere, and down to the Earth's surface in the fair ... Atmospheric electric field; magnetic storm; magnetosphere; ionosphere; global electrical circuit. J. Earth Syst. Sci. 124, No. 8, December ... electrical conductivity of the ice surface is in sev- eral orders of magnitude higher than that ...

  9. Ulva linza zoospore sensitivity to systematic variation of surface topography

    Science.gov (United States)

    Sheats, Julian Taylor

    The use of surface topographical microstructure is abundant in nature. The lotus plant uses a fractal-like topography to create a highly non-wetting surface that self-cleans as water drops take dirt particles with them as they roll off. Analysis of how topography affects surface interactions offers a unique opportunity to attack a problem that affects our economy and societal health significantly. The attachment of biological material to manmade surfaces can be looked at as fouling or directed adhesion. Marine fouling on ship hulls costs the United States $600 million each year due to increased fuel usage caused by drag. Hospital-acquired methicillin-resistant Staphylococcus aureus infections cause thousands of deaths annually as a result of colonization of hospital surfaces. The lack of biocompatible synthetic surfaces for implants such as vascular grafts lead to restenosis as cells are unable to develop a natural interaction with the graft surface. In each circumstance there is much to learn about the complicated attachment process. This work expands the investigation of the role of topography in the attachment of the green fouling algae Ulva linza to poly(dimethylsiloxane) surfaces. Spore attachment density was correlated to the Wenzel roughness ratio on low surface energy, high-modulus poly(dimethylsiloxane)-grafted-silicon topographies. The role of topography on a scale less than the size of a spore was investigated on nano-roughened poly(dimethylsiloxane) elastomer surfaces. For a specific group of patterns, the spatial distribution of spores attached to topographies was quantitatively analyzed and shown to correlate with feature dimensions.

  10. A Variational Model for Two-Phase Immiscible Electroosmotic Flow at Solid Surfaces

    KAUST Repository

    Shao, Sihong

    2012-01-01

    We develop a continuum hydrodynamic model for two-phase immiscible flows that involve electroosmotic effect in an electrolyte and moving contact line at solid surfaces. The model is derived through a variational approach based on the Onsager principle of minimum energy dissipation. This approach was first presented in the derivation of a continuum hydrodynamic model for moving contact line in neutral two-phase immiscible flows (Qian, Wang, and Sheng, J. Fluid Mech. 564, 333-360 (2006)). Physically, the electroosmotic effect can be formulated by the Onsager principle as well in the linear response regime. Therefore, the same variational approach is applied here to the derivation of the continuum hydrodynamic model for charged two-phase immiscible flows where one fluid component is an electrolyte exhibiting electroosmotic effect on a charged surface. A phase field is employed to model the diffuse interface between two immiscible fluid components, one being the electrolyte and the other a nonconductive fluid, both allowed to slip at solid surfaces. Our model consists of the incompressible Navier-Stokes equation for momentum transport, the Nernst-Planck equation for ion transport, the Cahn-Hilliard phase-field equation for interface motion, and the Poisson equation for electric potential, along with all the necessary boundary conditions. In particular, all the dynamic boundary conditions at solid surfaces, including the generalized Navier boundary condition for slip, are derived together with the equations of motion in the bulk region. Numerical examples in two-dimensional space, which involve overlapped electric double layer fields, have been presented to demonstrate the validity and applicability of the model, and a few salient features of the two-phase immiscible electroosmotic flows at solid surface. The wall slip in the vicinity of moving contact line and the Smoluchowski slip in the electric double layer are both investigated. © 2012 Global-Science Press.

  11. Representing Global Reactive Potential Energy Surfaces Using Gaussian Processes.

    Science.gov (United States)

    Kolb, Brian; Marshall, Paul; Zhao, Bin; Jiang, Bin; Guo, Hua

    2017-04-06

    Representation of multidimensional global potential energy surfaces suitable for spectral and dynamical calculations from high-level ab initio calculations remains a challenge. Here, we present a detailed study on constructing potential energy surfaces using a machine learning method, namely, Gaussian process regression. Tests for the 3 A″ state of SH 2 , which facilitates the SH + H ↔ S( 3 P) + H 2 abstraction reaction and the SH + H' ↔ SH' + H exchange reaction, suggest that the Gaussian process is capable of providing a reasonable potential energy surface with a small number (∼1 × 10 2 ) of ab initio points, but it needs substantially more points (∼1 × 10 3 ) to converge reaction probabilities. The implications of these observations for construction of potential energy surfaces are discussed.

  12. Ab initio adiabatic and quasidiabatic potential energy surfaces of H ...

    Indian Academy of Sciences (India)

    s12039-015-1022-8. Ab initio adiabatic and quasidiabatic potential energy surfaces of H. ++. CN system. BHARGAVA ANUSURI and SANJAY KUMAR. ∗. Department of Chemistry, Indian Institute of Technology Madras, Chennai 600 036, India.

  13. Effect of remote sea surface temperature change on tropical cyclone potential intensity.

    Science.gov (United States)

    Vecchi, Gabriel A; Soden, Brian J

    2007-12-13

    The response of tropical cyclone activity to global warming is widely debated. It is often assumed that warmer sea surface temperatures provide a more favourable environment for the development and intensification of tropical cyclones, but cyclone genesis and intensity are also affected by the vertical thermodynamic properties of the atmosphere. Here we use climate models and observational reconstructions to explore the relationship between changes in sea surface temperature and tropical cyclone 'potential intensity'--a measure that provides an upper bound on cyclone intensity and can also reflect the likelihood of cyclone development. We find that changes in local sea surface temperature are inadequate for characterizing even the sign of changes in potential intensity, but that long-term changes in potential intensity are closely related to the regional structure of warming; regions that warm more than the tropical average are characterized by increased potential intensity, and vice versa. We use this relationship to reconstruct changes in potential intensity over the twentieth century from observational reconstructions of sea surface temperature. We find that, even though tropical Atlantic sea surface temperatures are currently at a historical high, Atlantic potential intensity probably peaked in the 1930s and 1950s, and recent values are near the historical average. Our results indicate that--per unit local sea surface temperature change--the response of tropical cyclone activity to natural climate variations, which tend to involve localized changes in sea surface temperature, may be larger than the response to the more uniform patterns of greenhouse-gas-induced warming.

  14. Surface motion and confinement potential for a microwave confined corona

    International Nuclear Information System (INIS)

    Ensley, D.L.

    1979-07-01

    Approximate time dependent solutions for surface velocities and potentials are given for a plane polarized microwave field confining a hot, over-dense plasma corona. Steady state solutions to Poissons' equation can be applied to the time dependent case, provided transit time effects are included. The product of ion pressure and potential wave (surface) velocity gives an average heating rate approx. 7/32 NKT 0 V/sub theta/ directly to the ions

  15. Variation in skin surface lipid composition among the Equidae.

    Science.gov (United States)

    Colton, S W; Downing, D T

    1983-01-01

    Skin surface lipids from Equus caballus, E. przewalskii, E. asinus, E. grevyi, E. hemionus onager and a mule (E. asinus/E. caballus) were analyzed in detail. In all species the surface lipid mixtures consisted of giant-ring lactones, cholesterol, cholesteryl esters and minor amounts of wax diesters. In E. caballus, the lactone hydroxyacids were entirely branched chained, while in E. asinus and E. grevyi they were almost exclusively straight chained. In E. przewalskii, the onager and the mule there were both straight and branched chain hydroxyacid lactones. These results are in harmony with published interpretations of the evolutionary relationships among Equus species.

  16. Variation In Surface Water Vapour Density Over Four Nigerian Stations

    African Journals Online (AJOL)

    The surface water vapour density ρ has been studied using monthly averages of temperature and relative humidity at four selected weather stations in Nigeria for the years 1987 to 1991. It is found that during the dry season months of November to March, ρ is higher at night by an average of about 9.9% than during the day ...

  17. Performance verification of focus variation and confocal microscopes measuring tilted ultra-fine surfaces

    DEFF Research Database (Denmark)

    Quagliotti, Danilo; Baruffi, Federico; Tosello, Guido

    2016-01-01

    The behaviour of two optical instruments, scilicet a laser scanning confocal microscope and a focus-variation microscope, was investigated considering measurements of tilted surfaces. The measured samples were twelve steel artefacts for mould surface finish reference, covering Sa roughness...... parameter in the range (101—103) nm. The 3D surface texture parameters considered were Sa, Sq and Sdq. The small working distance of the confocal microscope objectives influenced the measurement setup, preventing from selecting a high tilting angle. The investigation was carried out comparing measurements...... of flat surfaces (0° tilt) with measurements of 12.5° tilted surfaces. The confocal microscope results showed a high sensitivity to tilting due to the laser beam reflection on the metal surfaces. The focus variation microscope results were more robust with respect to the considered angular variation...

  18. Potential utility of the thematic mapper for surface mine monitoring

    International Nuclear Information System (INIS)

    Irons, J.R.; Lachowski, H.M.

    1981-01-01

    One of many potential applications of the thematic mapper (TM) is surface mine monitoring. To assess this potential, data acquired by an aircraft multispectral scanner over Pennsylvania surface mines were preprocessed to simulate the anticipated spectral, spatial, and radiometric characteristics of TM data. False color imagery and thematic maps were derived from the simulated data and compared to imagery and maps derived from LANDSAT multispectral scanner subsystems data. On the basis of this comparison, TM data should definitely increase the detail and accuracy of remotely acquired surface mine information and may enable the remote determination of compliance with reclamation regulations

  19. Spatial correlations of interdecadal variation in global surface temperatures

    Science.gov (United States)

    Mann, Michael E.; Park, Jeffrey

    1993-01-01

    We have analyzed spatial correlation patterns of interdecadal global surface temperature variability from an empirical perspective. Using multitaper coherence estimates from 140-yr records, we find that correlations between hemispheres are significant at about 95 percent confidence for nonrandomness for most of the frequency band in the 0.06-0.24 cyc/yr range. Coherence estimates of pairs of 100-yr grid-point temperature data series near 5-yr period reveal teleconnection patterns consistent with known patterns of ENSO variability. Significant correlated variability is observed near 15 year period, with the dominant teleconnection pattern largely confined to the Northern Hemisphere. Peak-to-peak Delta-T is at about 0.5 deg, with simultaneous warming and cooling of discrete patches on the earth's surface. A global average of this pattern would largely cancel.

  20. Distribution and variation of water potential for unsaturated water vadose through two-layer porous media

    International Nuclear Information System (INIS)

    Wang Zhiming; Yao Laigen; Jiang Hong

    2004-01-01

    Water potential reflects energy level of soil water and the gradient of water potential is an impotent factor describing direction and velocity of water flow. The main experimental methods and results of determining water potential distribution and variation for unsaturated water vadose passing through two-layer porous media made of loess (fine particle) and quartz sand (coarse particle) are introduced in this paper in order to analyze and explain further detouring flow phenomenon observed in former work. It can be seen from the results that: water potential in quartz sand layer decreases with increasing thickness of the quartz sand layer under fixed sprinkling rate and increases with increasing sprinkling rate under fixed thickness of quartz sand layer; some of water above quartz sand layer flows down through the quartz sand layer and some flows down along edges of the quartz sand layer; some of water detoured the quartz sand layer flows into the region below the quartz sand layer closely along lower surface of the quartz sand layer. These are some phenomena to be worthing further study. (authors)

  1. Osteogenic potential of laser modified and conditioned titanium zirconium surfaces

    Directory of Open Access Journals (Sweden)

    P David Charles

    2016-01-01

    Full Text Available Statement of Problem: The osseointegration of dental implant is related to their composition and surface treatment. Titanium zirconium (TiZr has been introduced as an alternative to the commercially pure titanium and its alloys as dental implant material, which is attributed to its superior mechanical and biological properties. Surface treatments of TiZr have been introduced to enhance their osseointegration ability; however, reliable, easy to use surface modification technique has not been established. Purpose: The purpose of this study was to evaluate and compare the effect of neodymium-doped yttrium aluminum garnet (Nd-YAG laser surface treatment of TiZr implant alloy on their osteogenic potential. Materials and Methods: Twenty disc-shaped samples of 5 mm diameter and 2 mm height were milled from the TiZr alloy ingot. The polished discs were ultrasonically cleaned in distilled water. Ten samples each were randomly selected as Group A control samples and Group B consisted of Nd-YAG laser surface etched and conditioned test samples. These were evaluated for cellular response. Cellular adhesion and proliferation were quantified, and the results were statistically analyzed using nonparametric analysis. Cellular morphology was observed using electron and epiflurosence microscopy. Results: Nd-YAG laser surface modified and conditioned TiZr samples increased the osteogenic potential. Conclusion: Nd-YAG laser surface modification of TiZr, improves the cellular activity, surface roughness, and wettability, thereby increasing the osteogenic potential.

  2. Influence of the variation potential on photosynthetic flows of light energy and electrons in pea.

    Science.gov (United States)

    Sukhova, Ekaterina; Mudrilov, Maxim; Vodeneev, Vladimir; Sukhov, Vladimir

    2018-05-01

    Local damage (mainly burning, heating, and mechanical wounding) induces propagation of electrical signals, namely, variation potentials, which are important signals during the life of plants that regulate different physiological processes, including photosynthesis. It is known that the variation potential decreases the rate of CO 2 assimilation by the Calvin-Benson cycle; however, its influence on light reactions has been poorly investigated. The aim of our work was to investigate the influence of the variation potential on the light energy flow that is absorbed, trapped and dissipated per active reaction centre in photosystem II and on the flow of electrons through the chloroplast electron transport chain. We analysed chlorophyll fluorescence in pea leaves using JIP-test and PAM-fluorometry; we also investigated delayed fluorescence. The electrical signals were registered using extracellular electrodes. We showed that the burning-induced variation potential stimulated a nonphotochemical loss of energy in photosystem II under dark conditions. It was also shown that the variation potential gradually increased the flow of light energy absorbed, trapped and dissipated by photosystem II. These changes were likely caused by an increase in the fraction of absorbed light distributed to photosystem II. In addition, the variation potential induced a transient increase in electron flow through the photosynthetic electron transport chain. Some probable mechanisms for the influence of the variation potential on the light reactions of photosynthesis (including the potential role of intracellular pH decrease) are discussed in the work.

  3. Hydrophobicity, surface tension, and zeta potential measurements of glass-reinforced hydroxyapatite composites.

    Science.gov (United States)

    Lopes, M A; Monteiro, F J; Santos, J D; Serro, A P; Saramago, B

    1999-06-15

    Wettability and zeta potential studies were performed to characterize the hydrophobicity, surface tension, and surface charge of P2O5-glass-reinforced hydroxyapatite composites. Quantitative phase analysis was performed by the Rietveld method using GSAS software applied to X-ray diffractograms. Surface charge was assessed by zeta potential measurements. Protein adsorption studies were performed using vitronectin. Contact angles and surface tensions variation with time were determined by the sessile and pendent drop techniques, respectively, using ADSA-P software. The highest (-18.1 mV) and lowest (-28.7 mV) values of zeta potential were found for hydroxyapatite (HA) and beta-tricalcium phosphate (beta-TCP), respectively, with composite materials presenting values in between. All studied bioceramic materials showed similar solid surface tension. For HA and beta-TCP, solid surface tensions of 46.7 and 45.3 mJ/m2, respectively, were obtained, while composites presented intermediate surface tension values. The dispersive component of surface tension was the predominant one for all materials studied. Adhesion work values between the vitronectin solution and HA and beta-TCP were found to be 79.8 and 88.0 mJ/m2, respectively, while the 4.0 wt % glass composites showed slightly lower values than the 2.5 wt % ones. The presence of beta-TCP influenced surface charge, hydrophobicity, and protein adsorption of the glass-reinforced HA composites, and therefore indirectly affected cell-biomaterial interactions.

  4. Variational space-time (dis)continuous Galerkin method for nonlinear free surface waves

    NARCIS (Netherlands)

    Gagarina, Elena; van der Vegt, Jacobus J.W.; Ambati, V.R.; Bokhove, Onno

    A new variational finite element method is developed for nonlinear free surface gravity water waves. This method also handles waves generated by a wave maker. Its formulation stems from Miles' variational principle for water waves together with a space-time finite element discretization that is

  5. Ab initio Potential Energy Surface for H-H2

    Science.gov (United States)

    Partridge, Harry; Bauschlicher, Charles W., Jr.; Stallcop, James R.; Levin, Eugene

    1993-01-01

    Ab initio calculations employing large basis sets are performed to determine an accurate potential energy surface for H-H2 interactions for a broad range of separation distances. At large distances, the spherically averaged potential determined from the calculated energies agrees well with the corresponding results determined from dispersion coefficients; the van der Waals well depth is predicted to be 75 +/- (mu)E(sub h). Large basis sets have also been applied to reexamine the accuracy of theoretical repulsive potential energy surfaces. Multipolar expansions of the computed H-H2 potential energy surface are reported for four internuclear separation distances (1.2, 1.401, 1.449, and 1.7a(sub 0) of the hydrogen molecule. The differential elastic scattering cross section calculated from the present results is compared with the measurements from a crossed beam experiment.

  6. Surface Complexation Modeling of Calcite Zeta Potential Measurement in Mixed Brines for Carbonate Wettability Characterization

    Science.gov (United States)

    Song, J.; Zeng, Y.; Biswal, S. L.; Hirasaki, G. J.

    2017-12-01

    We presents zeta potential measurements and surface complexation modeling (SCM) of synthetic calcite in various conditions. The systematic zeta potential measurement and the proposed SCM provide insight into the role of four potential determining cations (Mg2+, SO42- , Ca2+ and CO32-) and CO2 partial pressure in calcite surface charge formation and facilitate the revealing of calcite wettability alteration induced by brines with designed ionic composition ("smart water"). Brines with varying potential determining ions (PDI) concentration in two different CO2 partial pressure (PCO2) are investigated in experiments. Then, a double layer SCM is developed to model the zeta potential measurements. Moreover, we propose a definition for contribution of charged surface species and quantitatively analyze the variation of charged species contribution when changing brine composition. After showing our model can accurately predict calcite zeta potential in brines containing mixed PDIs, we apply it to predict zeta potential in ultra-low and pressurized CO2 environments for potential applications in carbonate enhanced oil recovery including miscible CO2 flooding and CO2 sequestration in carbonate reservoirs. Model prediction reveals that pure calcite surface will be positively charged in all investigated brines in pressurized CO2 environment (>1atm). Moreover, the sensitivity of calcite zeta potential to CO2 partial pressure in the various brine is found to be in the sequence of Na2CO3 > Na2SO4 > NaCl > MgCl2 > CaCl2 (Ionic strength=0.1M).

  7. Variations of Polymer Porous Surface Structures via the Time-Sequenced Dosing of Mixed Solvents.

    Science.gov (United States)

    Wrzecionko, Erik; Minařík, Antonín; Smolka, Petr; Minařík, Martin; Humpolíček, Petr; Rejmontová, Petra; Mráček, Aleš; Minaříková, Magda; Gřundělová, Lenka

    2017-02-22

    A new approach to polystyrene surface treatment via the time-sequenced dispensing of good and poor solvent mixtures on the rotating surface of treated substrate is presented in this study. It is demonstrated that the variation of the sequencing together with other variables (e.g., temperature and solvent concentration) affects the size and depth of pores evolving on the polystyrene surface. A model of the surface pore creation, associated with the viscoelastic phase separation, surface tension, and secondary flows caused by temperature variations and the rapid evaporation of the good solvent is proposed. Experimental results of profilometric, goniometric, and optical measurements show that this approach enables the simple and quick preparation of surfaces with various numbers, diameters, and depths of individual pores, which ultimately affects not only the wetting characteristics of the surfaces but also the fate of cells cultivated there. The presented method allows the easy preparation of a large number of structured substrates for effective cell cultivation and proliferation.

  8. Core surface flow modelling from high-resolution secular variation

    DEFF Research Database (Denmark)

    Holme, R.; Olsen, Nils

    2006-01-01

    -flux hypothesis, but the spectrum of the SV implies that a conclusive test of frozen-flux is not possible. We parametrize the effects of diffusion as an expected misfit in the flow prediction due to departure from the frozen-flux hypothesis; at low spherical harmonic degrees, this contribution dominates...... the expected departure of the SV predictions from flow to the observed SV, while at high degrees the SV model uncertainty is dominant. We construct fine-scale core surface flows to model the SV. Flow non-uniqueness is a serious problem because the flows are sufficiently small scale to allow flow around non......-series of magnetic data and better parametrization of the external magnetic field....

  9. Effect of conductivity variations within the electric double layer on the streaming potential estimation in narrow fluidic confinements.

    Science.gov (United States)

    Das, Siddhartha; Chakraborty, Suman

    2010-07-06

    In this article, we investigate the implications of ionic conductivity variations within the electrical double layer (EDL) on the streaming potential estimation in pressure-driven fluidic transport through narrow confinements. Unlike the traditional considerations, we do not affix the ionic conductivities apriori by employing preset values of dimensionless parameters (such as the Dukhin number) to estimate the streaming potential. Rather, utilizing the Gouy-Chapman-Grahame model for estimating the electric potential and charge density distribution within the Stern layer, we first quantify the Stern layer electrical conductivity as a function of the zeta potential and other pertinent parameters quantifying the interaction of the ionic species with the charged surface. Next, by invoking the Boltzmann model for cationic and anionic distribution within the diffuse layer, we obtain the diffuse layer electrical conductivity. On the basis of these two different conductivities pertaining to the two different portions of the EDL as well as the bulk conductivity, we define two separate Dukhin numbers that turn out to be functions of the dimensionless zeta potential and the channel height to Debye length ratio. We derive analytical expressions for the streaming potential as a function of the fundamental governing parameters, considering the above. The results reveal interesting and significant deviations between the streaming potential predictions from the present considerations against the corresponding predictions from the classical considerations in which electrochemically consistent estimates of variable EDL conductivity are not traditionally accounted for. In particular, it is revealed that the variations of streaming potential with zeta potential are primarily determined by the competing effects of EDL electromigration and ionic advection. Over low and high zeta potential regimes, the Stern layer and diffuse layer conductivities predominantly dictate the streaming

  10. Intermolecular potential energy surface for CS2 dimer.

    Science.gov (United States)

    Farrokhpour, Hossein; Mombeini, Zainab; Namazian, Mansoor; Coote, Michelle L

    2011-04-15

    A new four-dimensional intermolecular potential energy surface for CS(2) dimer is obtained by ab initio calculation of the interaction energies for a range of configurations and center-of-mass separation distances for the first time. The calculations were performed using the supermolecular approach at the Møller-Plesset second-order perturbation (MP2) level of theory with the augmented correlation consistent basis sets (aug-cc-pVxZ, x = D, T) and corrected for the basis-set superposition error using the full counterpoise correction method. A two-point extrapolation method was used to extrapolate the calculated energy points to the complete basis set limit. The effect of using the higher levels of theory, quadratic configuration interaction containing single, double, and perturbative triple excitations QCISD(T) and coupled cluster singles, doubles and perturbative triples excitations CCSD(T), on the shape of potential energy surface was investigated. It is shown that the MP2 level of theory apparently performs extremely poorly for describing the intermolecular potential energy surface, overestimating the total energy by a factor of nearly 1.73 in comparison with the QCISD(T) and CCSD(T) values. The value of isotropic dipole-dipole dispersion coefficient (C(6) ) of CS(2) fluid was obtained from the extrapolated MP2 potential energy surface. The MP2 extrapolated energy points were fitted to well-known analytical potential functions using two different methods to represent the potential energy surface analytically. The most stable configuration of the dimer was determined at R = 6.23 au, α = 90°, β = 90°, and γ = 90°, with a well depth of 3.980 kcal mol(-1) at the MP2 level of theory. Finally, the calculated second virial coefficients were compared with experimental values to test the quality of the presented potential energy surface. Copyright © 2010 Wiley Periodicals, Inc.

  11. Seasonal Variations of the Earth's Gravitational Field: An Analysis of Atmospheric Pressure, Ocean Tidal, and Surface Water Excitation

    Science.gov (United States)

    Dong, D,; Gross, R.S.; Dickey, J.

    1996-01-01

    Monthly mean gravitational field parameters (denoted here as C(sub even)) that represent linear combinations of the primarily even degree zonal spherical harmonic coefficients of the Earth's gravitational field have been recovered using LAGEOS I data and are compared with those derived from gridded global surface pressure data of the National meteorological center (NMC) spanning 1983-1992. The effect of equilibrium ocean tides and surface water variations are also considered. Atmospheric pressure and surface water fluctuations are shown to be the dominant cause of observed annual C(sub even) variations. Closure with observations is seen at the 1sigma level when atmospheric pressure, ocean tide and surface water effects are include. Equilibrium ocean tides are shown to be the main source of excitation at the semiannual period with closure at the 1sigma level seen when both atmospheric pressure and ocean tide effects are included. The inverted barometer (IB) case is shown to give the best agreement with the observation series. The potential of the observed C(sub even) variations for monitoring mass variations in the polar regions of the Earth and the effect of the land-ocean mask in the IB calculation are discussed.

  12. [Influence of a variation potential on photosynthesis in pumpkin seedlings (Cucurbita pepo L.)].

    Science.gov (United States)

    Sukhov, V S; Shesterneva, O N; Surova, L M; Rumiantsev, E A; Vodeneev, V A

    2013-01-01

    The influence of a variation potential on photosynthesis in pumpkin seedlings (Cucurbita pepo L.) was investigated in our work. It was shown that the variation potential induced by cotyledon burning propagates into a leaf. It decreases CO2 assimilation and transpiration as well as increases nonphotochemical quenching. Investigation of isolated chloroplasts showed that lowering of the pH in incubation medium from 6.9-7.2 to 6.5 increases nonphotochemical quenching. It was proposed that lowering of the cytoplasmic pH induced by the variation potential takes place in the photosynthetic response development.

  13. The Contribution of Surface Potential to Diverse Problems in Electrostatics

    Science.gov (United States)

    Horenstein, M.

    2015-10-01

    Electrostatics spans many different subject areas. Some comprise “good electrostatics,” where charge is used for desirable purposes. Such areas include industrial manufacturing, electrophotography, surface modification, precipitators, aerosol control, and MEMS. Other areas comprise “bad electrostatics,” where charge is undesirable. Such areas include hazardous discharges, ESD, health effects, nuisance triboelectrification, particle contamination, and lightning. Conference proceedings such as this one inevitably include papers grouped around these topics. One common thread throughout is the surface potential developed when charge resides on an insulator surface. Often, the charged insulator will be in intimate contact with a ground plane. At other times, the charged insulator will be isolated. In either case, the resulting surface potential is important to such processes as propagating brush discharges, charge along a moving web, electrostatic biasing effects in MEMS, non-contacting voltmeters, field-effect transistor sensors, and the maximum possible charge on a woven fabric.

  14. Surface potential domains on lamellar P3OT structures

    International Nuclear Information System (INIS)

    Perez-GarcIa, B; Abad, J; Urbina, A; Colchero, J; Palacios-Lidon, E

    2008-01-01

    In this work the electrostatic properties of poly(3-octylthiophene) thin films have been studied on a nanometer scale by means of electrostatic force microscopy and Kelvin probe microscopy (KPM). The KPM images reveal that different surface contact potential domains coexist on the polymer surface. This result, together with additional capacitance measurements, indicates that the potential domains are related to the existence of dipoles due to different molecular arrangements. Finally, capacitance measurements as a function of the tip-sample bias voltage show that in all regions large band bending effects take place

  15. Surface potential domains on lamellar P3OT structures

    Energy Technology Data Exchange (ETDEWEB)

    Perez-GarcIa, B [Departamento Fisica, Facultad de Quimica (Campus Espinardo), Universidad de Murcia, E-30100 Murcia (Spain); Abad, J [Departamento Fisica, Facultad de Quimica (Campus Espinardo), Universidad de Murcia, E-30100 Murcia (Spain); Urbina, A [Departamento Electronica, TecnologIa de Computadoras y Proyectos, Universidad Politecnica de Cartagena, E-30202 Cartagena (Spain); Colchero, J [Departamento Fisica, Facultad de Quimica (Campus Espinardo), Universidad de Murcia, E-30100 Murcia (Spain); Palacios-Lidon, E [Departamento Fisica, Facultad de Quimica (Campus Espinardo), Universidad de Murcia, E-30100 Murcia (Spain)

    2008-02-13

    In this work the electrostatic properties of poly(3-octylthiophene) thin films have been studied on a nanometer scale by means of electrostatic force microscopy and Kelvin probe microscopy (KPM). The KPM images reveal that different surface contact potential domains coexist on the polymer surface. This result, together with additional capacitance measurements, indicates that the potential domains are related to the existence of dipoles due to different molecular arrangements. Finally, capacitance measurements as a function of the tip-sample bias voltage show that in all regions large band bending effects take place.

  16. He-, Ne-, and Ar-phosgene intermolecular potential energy surfaces

    DEFF Research Database (Denmark)

    Munteanu, Cristian R.; Henriksen, Christian; Felker, Peter M.

    2013-01-01

    Using the CCSD(T) model, we evaluated the intermolecular potential energy surfaces of the He-, Ne-, and Ar-phosgene complexes. We considered a representative number of intermolecular geometries for which we calculated the corresponding interaction energies with the augmented (He complex) and double......-phosgene surfaces were found to have absolute minima of -72.1, -140.4, and -326.6 cm -1 at distances between the rare-gas atom and the phosgene center of mass of 3.184, 3.254, and 3.516 Å, respectively. The potentials were further used in the evaluation of rovibrational states and the rotational constants...

  17. An adaptive interpolation scheme for molecular potential energy surfaces

    Science.gov (United States)

    Kowalewski, Markus; Larsson, Elisabeth; Heryudono, Alfa

    2016-08-01

    The calculation of potential energy surfaces for quantum dynamics can be a time consuming task—especially when a high level of theory for the electronic structure calculation is required. We propose an adaptive interpolation algorithm based on polyharmonic splines combined with a partition of unity approach. The adaptive node refinement allows to greatly reduce the number of sample points by employing a local error estimate. The algorithm and its scaling behavior are evaluated for a model function in 2, 3, and 4 dimensions. The developed algorithm allows for a more rapid and reliable interpolation of a potential energy surface within a given accuracy compared to the non-adaptive version.

  18. Reversible Compositional Control of Oxide Surfaces by Electrochemical Potentials

    KAUST Repository

    Mutoro, Eva

    2012-01-05

    Perovskite oxides can exhibit a wide range of interesting characteristics such as being catalytically active and electronically/ionically conducting, and thus, they have been used in a number of solid-state devices such as solid oxide fuel cells (SOFCs) and sensors. As the surface compositions of perovskites can greatly influence the catalytic properties, knowing and controlling their surface compositions is crucial to enhance device performance. In this study, we demonstrate that the surface strontium (Sr) and cobalt (Co) concentrations of perovskite-based thin films can be controlled reversibly at elevated temperatures by applying small electrical potential biases. The surface compositional changes of La 0.8Sr 0.2CoO 3-δ (LSC 113), (La 0.5Sr 0.5) 2CoO 4±δ (LSC 214), and LSC 214-decorated LSC 113 films (LSC 113/214) were investigated in situ by utilizing synchrotron-based X-ray photoelectron spectroscopy (XPS), where the largest changes of surface Sr were found for the LSC 113/214 surface. These findings offer the potential of reversibly controlling the surface functionality of perovskites. © 2011 American Chemical Society.

  19. Lunar Surface Potential Increases during Terrestrial Bow Shock Traversals

    Science.gov (United States)

    Collier, Michael R.; Stubbs, Timothy J.; Hills, H. Kent; Halekas, Jasper; Farrell, William M.; Delory, Greg T.; Espley, Jared; Freeman, John W.; Vondrak, Richard R.; Kasper, Justin

    2009-01-01

    Since the Apollo era the electric potential of the Moon has been a subject of interest and debate. Deployed by three Apollo missions, Apollo 12, Apollo 14 and Apollo 15, the Suprathermal Ion Detector Experiment (SIDE) determined the sunlit lunar surface potential to be about +10 Volts using the energy spectra of lunar ionospheric thermal ions accelerated toward the Moon. We present an analysis of Apollo 14 SIDE "resonance" events that indicate the lunar surface potential increases when the Moon traverses the dawn bow shock. By analyzing Wind spacecraft crossings of the terrestrial bow shock at approximately this location and employing current balancing models of the lunar surface, we suggest causes for the increasing potential. Determining the origin of this phenomenon will improve our ability to predict the lunar surface potential in support of human exploration as well as provide models for the behavior of other airless bodies when they traverse similar features such as interplanetary shocks, both of which are goals of the NASA Lunar Science Institute's Dynamic Response of the Environment At the Moon (DREAM) team.

  20. Chiral solitons with bohm potential by He’s variational principle

    International Nuclear Information System (INIS)

    Biswas, A.; Milovic, D.

    2011-01-01

    The chiral nonlinear Schrödinger’s equation with Bohm potential is integrated. The technique that is carried out to integrate this equation is He’s semi-inverse variational principle. The numerical simulation is also included.

  1. Tuning the surface potential of Ag surfaces by chemisorption of oppositely-oriented thiolated carborane dipoles

    Czech Academy of Sciences Publication Activity Database

    Lübben, J.F.; Baše, Tomáš; Rupper, P.; Künniger, T.; Macháček, Jan; Guimond, S.

    2011-01-01

    Roč. 354, č. 1 (2011), s. 168-174 ISSN 0021-9797 R&D Projects: GA AV ČR(CZ) IAA400320901 Keywords : Adsorption * Thiolated carboranes * Silver surface * Surface potential * X-ray photoelectron spectroscopy Subject RIV: CA - Inorganic Chemistry Impact factor: 3.070, year: 2011

  2. Agronomic potential of some agricultural wastes as surface mulches ...

    African Journals Online (AJOL)

    Studies were carried out at the Teaching and Research Farm of the University of Cape Coast, in the minor seasons of 1992 and 1993, to assess the agronomic potential of some common agricultural wastes as surface mulches in terms of weed control, nematode population in soil, root-knot incidence and growth and yield of ...

  3. Surface adhesion and confinement variation of Staphylococcus aurius on SAM surfaces

    Science.gov (United States)

    Amroski, Alicia; Olsen, Morgan; Calabrese, Joseph; Senevirathne, Reshani; Senevirathne, Indrajith

    2012-02-01

    Controlled surface adhesion of non - pathogenic gram positive strain, Staphylococcus aureus is interesting as a model system due to possible development of respective biosensors for prevention and detection of the pathogenic strain methicillin resistant Staphylococcus aureus (MRSA) and further as a study for bio-machine interfacing. Self Assembled Monolayers (SAM) with engineered surfaces of linear thiols on Au(111) were used as the substrate. Sub cultured S. aureus were used for the analysis. The SAM layered surfaces were dipped in 2 -- 4 Log/ml S. aureus solution. Subsequent surface adhesion at different bacterial dilutions on surfaces will be discussed, and correlated with quantitative and qualitative adhesion properties of bacteria on the engineered SAM surfaces. The bacteria adhered SAM surfaces were investigated using intermittent contact, noncontact, lateral force and contact modes of Atomic Force Microscopy (AFM).

  4. Temporal variations in the potential hydrological performance of extensive green roof systems

    Science.gov (United States)

    De-Ville, Simon; Menon, Manoj; Stovin, Virginia

    2018-03-01

    Existing literature provides contradictory information about variation in potential green roof hydrological performance over time. This study has evaluated a long-term hydrological monitoring record from a series of extensive green roof test beds to identify long-term evolutions and sub-annual (seasonal) variations in potential hydrological performance. Monitoring of nine differently-configured extensive green roof test beds took place over a period of 6 years in Sheffield, UK. Long-term evolutions and sub-annual trends in maximum potential retention performance were identified through physical monitoring of substrate field capacity over time. An independent evaluation of temporal variations in detention performance was undertaken through the fitting of reservoir-routing model parameters. Aggregation of the resulting retention and detention variations permitted the prediction of extensive green roof hydrological performance in response to a 1-in-30-year 1-h summer design storm for Sheffield, UK, which facilitated the comparison of multi and sub-annual hydrological performance variations. Sub-annual (seasonal) variation was found to be significantly greater than long-term evolution. Potential retention performance increased by up to 12% after 5-years, whilst the maximum sub-annual variation in potential retention was 27%. For vegetated roof configurations, a 4% long-term improvement was observed for detention performance, compared to a maximum 63% sub-annual variation. Consistent long-term reductions in detention performance were observed in unvegetated roof configurations, with a non-standard expanded-clay substrate experiencing a 45% reduction in peak attenuation over 5-years. Conventional roof configurations exhibit stable long-term hydrological performance, but are nonetheless subject to sub-annual variation.

  5. Improving the variational path integral approach to the quantum double-well potential

    International Nuclear Information System (INIS)

    Bao Jingdong; Wang Hongyu

    2002-01-01

    An improved variational path integral approach is developed and applied to the quantum double-well potential, in which part of the quartic term of the potential is included in the trial action. The expression of the effective classical potential (ECP) under a non-Gaussian expectation is obtained. Here the frequency and fourth-order derivative of the potential are treated as two variational parameters, determined by the minimization of the ECP at each point. We calculate the ECP, the free energy and the level splitting of a symmetrical double-well potential. It is shown that the present results are better than those of the Feynman-Kleinert Gaussian variational method. (author)

  6. Variational assimilation of land surface temperature observations for enhanced river flow predictions

    Science.gov (United States)

    Ercolani, Giulia; Castelli, Fabio

    2016-04-01

    Data assimilation (DA) has the potential of improving hydrologic forecasts. However, many issues arise in case it is employed for spatially distributed hydrologic models that describes processes in various compartments: large dimensionality of the inverse problem, layers governed by different equations, non-linear and discontinuous model structure, complex topology of domains such as surface drainage and river network.On the other hand, integrated models offer the possibility of improving prediction of specific states by exploiting observations of quantities belonging to other compartments. In terms of forecasting river discharges, and hence for their enhancement, soil moisture is a key variable, since it determines the partitioning of rainfall into infiltration and surface runoff. However, soil moisture measurements are affected by issues that could prevent a successful DA and an actual improvement of discharge predictions.In-situ measurements suffer a dramatic spatial scarcity, while observations from satellite are barely accurate and provide spatial information only at a very coarse scale (around 40 km).Hydrologic models that explicitly represent land surface processes of coupled water and energy balance provide a valid alternative to direct DA of soil moisture.They gives the possibility of inferring soil moisture states through DA of remotely sensed Land Surface Temperature (LST), whose measurements are more accurate and with a higher spatial resolution in respect to those of soil moisture. In this work we present the assimilation of LST data in a hydrologic model (Mobidic) that is part of the operational forecasting chain for the Arno river, central Italy, with the aim of improving flood predictions. Mobidic is a raster based, continuous in time and distributed in space hydrologic model, with coupled mass and energy balance at the surface and coupled groundwater and surface hydrology. The variational approach is adopted for DA, since it requires less

  7. Can atom-surface potential measurements test atomic structure models?

    Science.gov (United States)

    Lonij, Vincent P A; Klauss, Catherine E; Holmgren, William F; Cronin, Alexander D

    2011-06-30

    van der Waals (vdW) atom-surface potentials can be excellent benchmarks for atomic structure calculations. This is especially true if measurements are made with two different types of atoms interacting with the same surface sample. Here we show theoretically how ratios of vdW potential strengths (e.g., C₃(K)/C₃(Na)) depend sensitively on the properties of each atom, yet these ratios are relatively insensitive to properties of the surface. We discuss how C₃ ratios depend on atomic core electrons by using a two-oscillator model to represent the contribution from atomic valence electrons and core electrons separately. We explain why certain pairs of atoms are preferable to study for future experimental tests of atomic structure calculations. A well chosen pair of atoms (e.g., K and Na) will have a C₃ ratio that is insensitive to the permittivity of the surface, whereas a poorly chosen pair (e.g., K and He) will have a ratio of C₃ values that depends more strongly on the permittivity of the surface.

  8. High natural gene expression variation in the reef-building coral Acropora millepora: potential for acclimative and adaptive plasticity.

    Science.gov (United States)

    Granados-Cifuentes, Camila; Bellantuono, Anthony J; Ridgway, Tyrone; Hoegh-Guldberg, Ove; Rodriguez-Lanetty, Mauricio

    2013-04-08

    Ecosystems worldwide are suffering the consequences of anthropogenic impact. The diverse ecosystem of coral reefs, for example, are globally threatened by increases in sea surface temperatures due to global warming. Studies to date have focused on determining genetic diversity, the sequence variability of genes in a species, as a proxy to estimate and predict the potential adaptive response of coral populations to environmental changes linked to climate changes. However, the examination of natural gene expression variation has received less attention. This variation has been implicated as an important factor in evolutionary processes, upon which natural selection can act. We acclimatized coral nubbins from six colonies of the reef-building coral Acropora millepora to a common garden in Heron Island (Great Barrier Reef, GBR) for a period of four weeks to remove any site-specific environmental effects on the physiology of the coral nubbins. By using a cDNA microarray platform, we detected a high level of gene expression variation, with 17% (488) of the unigenes differentially expressed across coral nubbins of the six colonies (jsFDR-corrected, p < 0.01). Among the main categories of biological processes found differentially expressed were transport, translation, response to stimulus, oxidation-reduction processes, and apoptosis. We found that the transcriptional profiles did not correspond to the genotype of the colony characterized using either an intron of the carbonic anhydrase gene or microsatellite loci markers. Our results provide evidence of the high inter-colony variation in A. millepora at the transcriptomic level grown under a common garden and without a correspondence with genotypic identity. This finding brings to our attention the importance of taking into account natural variation between reef corals when assessing experimental gene expression differences. The high transcriptional variation detected in this study is interpreted and discussed within the

  9. Seasonal variation in soil and plant water potentials in a Bolivian tropical moist and dry forest

    NARCIS (Netherlands)

    Markesteijn, L.; Iraipi, J.; Bongers, F.; Poorter, L.

    2010-01-01

    We determined seasonal variation in soil matric potentials (¿soil) along a topographical gradient and with soil depth in a Bolivian tropical dry (1160 mm y-1 rain) and moist forest (1580 mm y-1). In each forest we analysed the effect of drought on predawn leaf water potentials (¿pd) and drought

  10. Surface Tension of Multi-phase Flow with Multiple Junctions Governed by the Variational Principle

    International Nuclear Information System (INIS)

    Matsutani, Shigeki; Nakano, Kota; Shinjo, Katsuhiko

    2011-01-01

    We explore a computational model of an incompressible fluid with a multi-phase field in three-dimensional Euclidean space. By investigating an incompressible fluid with a two-phase field geometrically, we reformulate the expression of the surface tension for the two-phase field found by Lafaurie et al. (J Comput Phys 113:134–147, 1994) as a variational problem related to an infinite dimensional Lie group, the volume-preserving diffeomorphism. The variational principle to the action integral with the surface energy reproduces their Euler equation of the two-phase field with the surface tension. Since the surface energy of multiple interfaces even with singularities is not difficult to be evaluated in general and the variational formulation works for every action integral, the new formulation enables us to extend their expression to that of a multi-phase (N-phase, N ≥ 2) flow and to obtain a novel Euler equation with the surface tension of the multi-phase field. The obtained Euler equation governs the equation for motion of the multi-phase field with different surface tension coefficients without any difficulties for the singularities at multiple junctions. In other words, we unify the theory of multi-phase fields which express low dimensional interface geometry and the theory of the incompressible fluid dynamics on the infinite dimensional geometry as a variational problem. We apply the equation to the contact angle problems at triple junctions. We computed the fluid dynamics for a two-phase field with a wall numerically and show the numerical computational results that for given surface tension coefficients, the contact angles are generated by the surface tension as results of balances of the kinematic energy and the surface energy.

  11. Surface Freshwater Storage Variations in the Orinoco Floodplains Using Multi-Satellite Observations

    Directory of Open Access Journals (Sweden)

    Frédéric Frappart

    2014-12-01

    Full Text Available Variations in surface water extent and storage are poorly characterized from regional to global scales. In this study, a multi-satellite approach is proposed to estimate the water stored in the floodplains of the Orinoco Basin at a monthly time-scale using remotely-sensed observations of surface water from the Global Inundation Extent Multi-Satellite (GIEMS and stages from Envisat radar altimetry. Surface water storage variations over 2003–2007 exhibit large interannual variability and a strong seasonal signal, peaking during summer, and associated with the flood pulse. The volume of surface water storage in the Orinoco Basin was highly correlated with the river discharge at Ciudad Bolivar (R = 0.95, the closest station to the mouth where discharge was estimated, although discharge lagged one month behind storage. The correlation remained high (R = 0.73 after removing seasonal effects. Mean annual variations in surface water volume represented ~170 km3, contributing to ~45% of the Gravity Recovery and Climate Experiment (GRACE-derived total water storage variations and representing ~13% of the total volume of water that flowed out of the Orinoco Basin to the Atlantic Ocean.

  12. Three-dimensional potential energy surface of Ar–CO

    Energy Technology Data Exchange (ETDEWEB)

    Sumiyoshi, Yoshihiro, E-mail: y-sumiyoshi@gunma-u.ac.jp [Division of Pure and Applied Science, Graduate School of Science and Technology, Gunma University, 4-2 Aramaki, Maebashi, Gunma 371-8510 (Japan); Endo, Yasuki [Department of Basic Science, Graduate School of Arts and Sciences, The University of Tokyo, Komaba, Meguro-ku, Tokyo 153-8902 (Japan)

    2015-01-14

    A three-dimensional intermolecular potential energy surface of the Ar–CO complex has been determined by fitting most of the previously reported spectroscopic data, where observed transition frequencies by microwave, millimeter-wave, submillimeter-wave, and infrared spectroscopy were reproduced simultaneously within their experimental accuracies. A free rotor model Hamiltonian considering all the freedom of motions for an atom-diatom system was applied to calculate vibration-rotation energies. A three-dimensional potential energy surface obtained by ab initio calculations at the CCSD(T)-F12b/aug-cc-pV5Z level of theory was parameterized by a model function consisting of 46 parameters. They were used as initial values for the least-squares analysis of the experimental data. A total of 20 parameters were optimized to reproduce all the spectroscopic data.

  13. Electronic structure, molecular bonding and potential energy surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Ruedenberg, K. [Ames Laboratory, IA (United States)

    1993-12-01

    By virtue of the universal validity of the generalized Born-Oppenheimer separation, potential energy surfaces (PES`) represent the central conceptual as well as quantitative entities of chemical physics and provide the basis for the understanding of most physicochemical phenomena in many diverse fields. The research in this group deals with the elucidation of general properties of PES` as well as with the quantitative determination of PES` for concrete systems, in particular pertaining to reactions involving carbon, oxygen, nitrogen and hydrogen molecules.

  14. Surface deformation during an action potential in pearled cells

    Science.gov (United States)

    Mussel, Matan; Fillafer, Christian; Ben-Porath, Gal; Schneider, Matthias F.

    2017-11-01

    Electric pulses in biological cells (action potentials) have been reported to be accompanied by a propagating cell-surface deformation with a nanoscale amplitude. Typically, this cell surface is covered by external layers of polymer material (extracellular matrix, cell wall material, etc.). It was recently demonstrated in excitable plant cells (Chara braunii) that the rigid external layer (cell wall) hinders the underlying deformation. When the cell membrane was separated from the cell wall by osmosis, a mechanical deformation, in the micrometer range, was observed upon excitation of the cell. The underlying mechanism of this mechanical pulse has, to date, remained elusive. Herein we report that Chara cells can undergo a pearling instability, and when the pearled fragments were excited even larger and more regular cell shape changes were observed (˜10 -100 μ m in amplitude). These transient cellular deformations were captured by a curvature model that is based on three parameters: surface tension, bending rigidity, and pressure difference across the surface. In this paper these parameters are extracted by curve-fitting to the experimental cellular shapes at rest and during excitation. This is a necessary step to identify the mechanical parameters that change during an action potential.

  15. Theoretical studies of potential energy surfaces and computational methods

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-12-01

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

  16. Potential energy savings using dynamically optimizing control in refrigeration systems under daily variations in ambient temperature

    DEFF Research Database (Denmark)

    Larsen, Lars Finn Sloth; Thybo, Claus; Wisniewski, Rafal

    2007-01-01

    The objective of this study is to investigate the energy saving potential for refrigeration systems by refrigeration more at the colder night time than at the warmer day time. The potential is evaluated using an optimal control policy and illustrated on a simulation example. The results show...... that the significant potential savings depends on two system parameters and the variation of the outdoor temperature. The system dependency is illustrated in a parameter study....

  17. Variation of surface dose in CT; Variacion de la dosis superficial en Tomografia Computarizada

    Energy Technology Data Exchange (ETDEWEB)

    Aviles Lucas, P.; Castellano, I. A.; Dance, D. R.; Vano Carruana, E.; Prieto Martin, C.

    2003-07-01

    An experimental study has been made of the variations of the air kerma-length product at the surface of a phantom exposed in a CT scanner using clinical parameters. the effect of patient size, position within the gantry plane and beam-shaping filter type was studied using three different elliptical phantoms. A dose reduction technique based on a sinusoidal tube current modulation system was also investigated. the result of the variation of the surface dose was analysed for the case of CT fluoroscopy procedures. The surface air kerma-length product was shown to be independent of phantom size (within experimental error) but decreases as the surface moves vertically away from the iso centre. The major contributor to this variation the beam-shaping filter. The possibility of underestimating the surface dose if an AAPM body phantom is used (a 36% increase for the head phantom) is an indirect result of the previous conclusion when applied to CT fluoroscopy. This highlights the importance of considering the size and position of the patient when measuring the does. Finally, when the tube current modulation system was used, the maximum surface dose reduction was 18%. (Author) 23 refs.

  18. In vitro studies on the cytotoxic potential of surface sealants.

    Science.gov (United States)

    Zingler, S; Matthei, B; Kohl, A; Saure, D; Ludwig, B; Diercke, K; Lux, C J; Erber, R

    2015-01-01

    The objective of this in vitro study was an initial screening of the cytotoxic potential of widely used smooth enamel surface sealants. A total of 20 products were allocated to four groups based on their chemical composition: (1) filled resin-based sealants, (2) unfilled resin-based sealants, (3) a resin-modified, glass ionomer-based sealant, and (4) silicone-based sealants. All materials were applied to human enamel slices both in accordance with manufacturers' instructions and in additional experiments applying 50% undercuring and 50% overcuring. An agar overlay assay was then used to test the specimens following ISO 10933. The cytotoxic potential of each material was interpreted based on a reaction index that summarized the decolorization and lysis scores obtained. The cytotoxic potential decreased as follows: unfilled resin-based sealants > filled resin-based sealants > resin-modified, glass ionomer-based sealant > silicone-based sealants. In 75% of the resin-based products, deliberate undercuring was associated with more extensive decolorization zones, leading to higher rates of cytotoxic potential in two of those products. Overcuring, by contrast, was associated with a tendency for smaller decolorization zones in 50% of the resin-based products. Surface sealants derived from resin monomers exhibited cytotoxic potential in the agar overlay assay. There is also evidence of a possible association with curing, as undercuring can increase the cytotoxic potential, whereas normal curing (as per manufacturers' instructions) or overcuring may help minimize such effects. More research into the biological implications of these materials is needed, especially with regard to their potential impact on the adjacent gingiva.

  19. Fine-scale variation in microclimate across an urban landscape shapes variation in mosquito population dynamics and the potential of Aedes albopictus to transmit arboviral disease.

    Directory of Open Access Journals (Sweden)

    Courtney C Murdock

    2017-05-01

    Full Text Available Most statistical and mechanistic models used to predict mosquito-borne disease transmission incorporate climate drivers of disease transmission by utilizing environmental data collected at geographic scales that are potentially coarser than what mosquito populations may actually experience. Temperature and relative humidity can vary greatly between indoor and outdoor environments, and can be influenced strongly by variation in landscape features. In the Aedes albopictus system, we conducted a proof-of-concept study in the vicinity of the University of Georgia to explore the effects of fine-scale microclimate variation on mosquito life history and vectorial capacity (VC. We placed Ae. albopictus larvae in artificial pots distributed across three replicate sites within three different land uses-urban, suburban, and rural, which were characterized by high, intermediate, and low proportions of impervious surfaces. Data loggers were placed into each larval environment and in nearby vegetation to record daily variation in water and ambient temperature and relative humidity. The number of adults emerging from each pot and their body size and sex were recorded daily. We found mosquito microclimate to significantly vary across the season as well as with land use. Urban sites were in general warmer and less humid than suburban and rural sites, translating into decreased larval survival, smaller body sizes, and lower per capita growth rates of mosquitoes on urban sites. Dengue transmission potential was predicted to be higher in the summer than the fall. Additionally, the effects of land use on dengue transmission potential varied by season. Warm summers resulted in a higher predicted VC on the cooler, rural sites, while warmer, urban sites had a higher predicted VC during the cooler fall season.

  20. Fine-scale variation in microclimate across an urban landscape shapes variation in mosquito population dynamics and the potential of Aedes albopictus to transmit arboviral disease.

    Science.gov (United States)

    Murdock, Courtney C; Evans, Michelle V; McClanahan, Taylor D; Miazgowicz, Kerri L; Tesla, Blanka

    2017-05-01

    Most statistical and mechanistic models used to predict mosquito-borne disease transmission incorporate climate drivers of disease transmission by utilizing environmental data collected at geographic scales that are potentially coarser than what mosquito populations may actually experience. Temperature and relative humidity can vary greatly between indoor and outdoor environments, and can be influenced strongly by variation in landscape features. In the Aedes albopictus system, we conducted a proof-of-concept study in the vicinity of the University of Georgia to explore the effects of fine-scale microclimate variation on mosquito life history and vectorial capacity (VC). We placed Ae. albopictus larvae in artificial pots distributed across three replicate sites within three different land uses-urban, suburban, and rural, which were characterized by high, intermediate, and low proportions of impervious surfaces. Data loggers were placed into each larval environment and in nearby vegetation to record daily variation in water and ambient temperature and relative humidity. The number of adults emerging from each pot and their body size and sex were recorded daily. We found mosquito microclimate to significantly vary across the season as well as with land use. Urban sites were in general warmer and less humid than suburban and rural sites, translating into decreased larval survival, smaller body sizes, and lower per capita growth rates of mosquitoes on urban sites. Dengue transmission potential was predicted to be higher in the summer than the fall. Additionally, the effects of land use on dengue transmission potential varied by season. Warm summers resulted in a higher predicted VC on the cooler, rural sites, while warmer, urban sites had a higher predicted VC during the cooler fall season.

  1. Centennial scale variations of sea-surface conditions in Disko Bugt, west Greenland

    Science.gov (United States)

    Allan, E.; de Vernal, A.; Knudsen, M. F.; Moros, M.; Ribeiro, S.; Ouellet-Bernier, M. M.

    2017-12-01

    Palynological analyses of the sediment core MSM343310 from Disko Bugt (68°38'861 N, 53°49'493 W) documents decadal-centennial variations in surface waters during the last 3600 years. The dinocyst assemblages dominated by Islandinium minutum, Brigantedinium spp., Islandinium? cezare and the cyst of Pentapharsodinium dalei, indicate large seasonal gradients of temperature due to stratified surface waters and high dinocyst fluxes (>104 cysts/cm2year1) point to an extremely high productivity. The application of the modern analogue technique to dinocyst assemblages indicates centennial scale variation of sea-surface salinity and temperature, in phase with δ18O fluctuation in the Camp Century ice core. Moreover, the seasonal sea ice cover records an important regime change at about 1.5 ka BP, from winter only sea-ice cover to more unstable conditions with successive cooling pulses reaching up to 8 months/year of ice coverage. The reconstructions of sea-surface conditions from Disko Bugt suggest relationship between hydrographic conditions and regional climate over Greenland. In particular, our record, which shows variations with a mean 200-year period until about 2 ka BP, supports the hypothesis of climate variations driven by the solar variability. Our data that show another 60- to 70-year period after 1.5 ka BP also suggest linkages with the Atlantic Multidecadal Oscillation and lead to propose that the cooling recorded after 1.5 ka BP corresponds to a southeastward migration of the summer polar front.

  2. Spatial and temporal variation of surface waves in shallow waters along the eastern Arabian Sea.

    Digital Repository Service at National Institute of Oceanography (India)

    Anoop, T.R.; SanilKumar, V.; Shanas, P.R.

    We studied the spatial and temporal variation of surface waves along the eastern Arabian Sea during 2011 and 2012. Measured directional wave data at two shallow water locations and re-analysis datasets (ERA-Interim) at 0.751 intervals at four...

  3. Variations of surface temparature with solar activity at two stations in ...

    African Journals Online (AJOL)

    Nigeria Journal of Pure and Applied Physics ... A consistent and persistent diurnal variation in surface air temperature exists which shows an almost constant level in the early morning hours (0000 0600 hours LT.); a rise at sunrise till about 1500 hr LT., a subsequent fall to the constant level by about 1900 hr LT. at sunset.

  4. Nuclear momentum distribution and potential energy surface in hexagonal ice

    Science.gov (United States)

    Lin, Lin; Morrone, Joseph; Car, Roberto; Parrinello, Michele

    2011-03-01

    The proton momentum distribution in ice Ih has been recently measured by deep inelastic neutron scattering and calculated from open path integral Car-Parrinello simulation. Here we report a detailed investigation of the relation between momentum distribution and potential energy surface based on both experiment and simulation results. The potential experienced by the proton is largely harmonic and characterized by 3 principal frequencies, which can be associated to weighted averages of phonon frequencies via lattice dynamics calculations. This approach also allows us to examine the importance of quantum effects on the dynamics of the oxygen nuclei close to the melting temperature. Finally we quantify the anharmonicity that is present in the potential acting on the protons. This work is supported by NSF and by DOE.

  5. Seasonal variation and speciation of dissolved iron in an artificial surface water body

    Directory of Open Access Journals (Sweden)

    Birghila Semaghiul

    2017-12-01

    Full Text Available The aquatic chemistry of iron is an important issue since iron is a micronutrient for the growth of phytoplankton. Its concentration in surface waters involves many environmental aspects, from the quality of a particular water to the control of atmospheric carbon dioxide. Dissolved iron can exist in water as ferrous and ferric iron, and the equilibrium between these two forms, as well as the precipitation and solubilization of iron, depends on many natural and anthropic factors. We studied the variation for an year of Fe(II and total iron concentration into Poarta Alba - Midia Navodari Canal, an artificial surface water which connects Danube River with Black Sea. The results indicate a high iron concentration in surface water and a seasonal variation of iron concentration and speciation, which can be correlated with the oxidable matter content.

  6. Measuring surface flow velocity with smartphones: potential for citizen observatories

    Science.gov (United States)

    Weijs, Steven V.; Chen, Zichong; Brauchli, Tristan; Huwald, Hendrik

    2014-05-01

    Stream flow velocity is an important variable for discharge estimation and research on sediment dynamics. Given the influence of the latter on rating curves (stage-discharge relations), and the relative scarcity of direct streamflow measurements, surface velocity measurements can offer important information for, e.g., flood warning, hydropower, and hydrological science and engineering in general. With the growing amount of sensing and computing power in the hands of more outdoorsy individuals, and the advances in image processing techniques, there is now a tremendous potential to obtain hydrologically relevant data from motivated citizens. This is the main focus of the interdisciplinary "WeSenseIt" project, a citizen observatory of water. In this subproject, we investigate the feasibility of stream flow surface velocity measurements from movie clips taken by (smartphone-) cameras. First results from movie-clip derived velocity information will be shown and compared to reference measurements.

  7. Surface modification of the MoSiON phase shift mask to reduce critical dimension variation

    Science.gov (United States)

    Choo, Hyeokseong; Seo, Dongwan; Lim, Sangwoo

    2013-10-01

    Phase shift masks (PSMs) were introduced to extend the limits of optical lithography. However, cleaning a MoSiON-based PSM pattern with an ammonium hydroxide/hydrogen peroxide mixture (APM), although efficient at cleaning the PSM pattern, etches the PSM layer, inducing changes in the phase angle and transmittance due to the introduction of variation of the critical dimension (CD). In this study, we investigated the effects of plasma treatment and furnace annealing on the etching of the MoSiON PSM in APM. In particular, we found that the etch behavior and surface chemical state after each treatment were correlated. We also compared variations in the CD between patterned PSM layers and blank masks. After O2 or N2 plasma treatment, the top surface of MoSiON had a thicker transition layer with an extreme increase in O, and a huge variation in CD was also observed after APM treatment. However, CD variation of the patterned MoSiON layer was minimal when the sample was first annealed in NH3 ambient gas and then subjected to APM treatment. This phenomenon may be related to an increase in the portion of the SiO2-like state at the top surface of the MoSiON PSM layer and its optimization without a change in the transition layer thickness.

  8. Seasonal Greenland Ice Sheet ice flow variations in regions of differing bed and surface topography

    Science.gov (United States)

    Sole, A. J.; Livingstone, S. J.; Rippin, D. M.; Hill, J.; McMillan, M.; Quincey, D. J.

    2015-12-01

    The contribution of the Greenland Ice Sheet (GrIS) to future sea-level rise is uncertain. Observations reveal the important role of basal water in controlling ice-flow to the ice sheet margin. In Greenland, drainage of large volumes of surface meltwater to the ice sheet bed through moulins and hydrofracture beneath surface lakes dominates the subglacial hydrological system and provides an efficient means of moving mass and heat through the ice sheet. Ice surface and bed topography influence where meltwater can access the bed, and the nature of its subsequent flow beneath the ice. However, no systematic investigation into the influence of topographic variability on Greenland hydrology and dynamics exists. Thus, physical processes controlling storage and drainage of surface and basal meltwater, and the way these affect ice flow are not comprehensively understood. This presents a critical obstacle in efforts to predict the future evolution of the GrIS. Here we present high-resolution satellite mapping of the ice-surface drainage network (e.g. lakes, channels and moulins) and measurements of seasonal variations in ice flow in south west Greenland. The region is comprised of three distinct subglacial terrains which vary in terms of the amplitude and wavelength and thus the degree to which basal topography is reflected in the ice sheet surface. We find that the distribution of surface hydrological features is related to the transfer of bed topography to the ice sheet surface. For example, in areas of thinner ice and high bed relief, moulins occur more frequently and are more uniformly dispersed, indicating a more distributed influx of surface-derived meltwater to the ice sheet bed. We investigate the implications of such spatial variations in surface hydrology on seasonal ice flow rates.

  9. Changes of Surface Electric Potential of Bones Depending on Their Age

    OpenAIRE

    Freimanis, E; Dehtjars, J; Vendiņa, V

    2014-01-01

    The aim of this research was to determine how surface electric potential of bones changes with their age and how it correlates with mechanical properties of bones. Surface electric potential was measured in 6 cross-sectional zones of the tibia. Changes of bones surface electric potential with age were determined and correlations between surface electric potential and mechanical properties were derived.

  10. Effects of microwave electric fields on the translational diffusion of dipolar molecules in surface potential: A simulation study

    Science.gov (United States)

    Kapranov, Sergey V.; Kouzaev, Guennadi A.

    2018-01-01

    Variations of effective diffusion coefficient of polar molecules exposed to microwave electric fields in a surface potential are studied by solving coupled stochastic differential equations of motion with a deterministic component of the surface force. Being an essential tool for the simulation interpretation, a theoretical approach to effective diffusion in surface potential is first developed. The effective diffusion coefficient is represented as the product of the normal diffusion coefficient and potential-dependent correction function, whose temperature dependence is close to the Arrhenius form. The analytically found zero-diffusion condition defines the state of thermal equilibrium at the surface. The diffusion of a water-like dipole molecule in the potential of graphite surface is simulated in the field-free conditions and in the presence of the alternating electric fields of various magnitude intensities and frequencies. Temperature dependence of the correction function exhibits field-induced variations of the effective Lennard-Jones energy parameter. It demonstrates maximum departure from the zero-field value at certain frequencies and intensities, which is associated with variations in the rotational dynamics. A concept of the amplitude-frequency resonance put forward to interpret the simulation results is explained using a heuristic reasoning and is corroborated by semi-quantitative considerations in terms of the Dissado-Hill cluster theory of dielectric relaxation.

  11. An Ab Initio Based Potential Energy Surface for Water

    Science.gov (United States)

    Partridge, Harry; Schwenke, David W.; Langhoff, Stephen R. (Technical Monitor)

    1996-01-01

    We report a new determination of the water potential energy surface. A high quality ab initio potential energy surface (PES) and dipole moment function of water have been computed. This PES is empirically adjusted to improve the agreement between the computed line positions and those from the HITRAN 92 data base. The adjustment is small, nonetheless including an estimate of core (oxygen 1s) electron correlation greatly improves the agreement with experiment. Of the 27,245 assigned transitions in the HITRAN 92 data base for H2(O-16), the overall root mean square (rms) deviation between the computed and observed line positions is 0.125/cm. However the deviations do not correspond to a normal distribution: 69% of the lines have errors less than 0.05/cm. Overall, the agreement between the line intensities computed in the present work and those contained in the data base is quite good, however there are a significant number of line strengths which differ greatly.

  12. Forces on nuclei moving on autoionizing molecular potential energy surfaces.

    Science.gov (United States)

    Moiseyev, Nimrod

    2017-01-14

    Autoionization of molecular systems occurs in diatomic molecules and in small biochemical systems. Quantum chemistry packages enable calculation of complex potential energy surfaces (CPESs). The imaginary part of the CPES is associated with the autoionization decay rate, which is a function of the molecular structure. Molecular dynamics simulations, within the framework of the Born-Oppenheimer approximation, require the definition of a force field. The ability to calculate the forces on the nuclei in bio-systems when autoionization takes place seems to rely on an understanding of radiative damages in RNA and DNA arising from the release of slow moving electrons which have long de Broglie wavelengths. This work addresses calculation of the real forces on the nuclei moving on the CPES. By using the transformation of the time-dependent Schrödinger equation, previously used by Madelung, we proved that the classical forces on nuclei moving on the CPES correlated with the gradient of the real part of the CPES. It was proved that the force on the nuclei of the metastable molecules is time independent although the probability to detect metastable molecules exponentially decays. The classical force is obtained from the transformed Schrödinger equation when ℏ=0 and the Schrödinger equation is reduced to the classical (Newtonian) equations of motion. The forces on the nuclei regardless on what potential energy surface they move (parent CPES or product real PESs) vary in time due to the autoionization process.

  13. Interannual Variation of Surface Circulation in the Japan/East Sea due to External Forcings and Intrinsic Variability

    Science.gov (United States)

    Choi, Byoung-Ju; Cho, Seong Hun; Jung, Hee Seok; Lee, Sang-Ho; Byun, Do-Seong; Kwon, Kyungman

    2018-03-01

    The interannual variation of surface ocean currents can be as large as seasonal variation in the Japan/East Sea (JES). To identify the major factors that cause such interannual variability of surface ocean circulation in the JES, surface circulation was simulated from 1998 to 2009 using a three-dimensional model. Contributions of atmospheric forcing (ATM), open boundary data (OBC), and intrinsic variability (ITV) of the surface flow in the JES on the interannual variability of surface ocean circulation were separately examined using numerical simulations. Variability in surface circulation was quantified in terms of variance in sea surface height, 100-m depth water temperature, and surface currents. ITV was found to be the dominant factor that induced interannual variabilities of surface circulation, the main path of the East Korea Warm Current (EKWC), and surface kinetic energy on a time scale of 2-4 years. OBC and ATM were secondary factors contributing to the interannual variation of surface circulation. Interannual variation of ATM changed the separation latitude of EKWC and increased the variability of surface circulation in the Ulleung Basin. Interannual variation of OBC enhanced low-frequency changes in surface circulation and eddies in the Yamato Basin. It also modulated basin-wide uniform oscillations of sea level. This study suggests that precise estimation of initial conditions using data assimilation is essential for long-term prediction of surface circulation in the JES.

  14. Variation trends of meteorological variables and their impacts on potential evaporation in Hailar region

    Directory of Open Access Journals (Sweden)

    Jin-liang Ren

    2012-06-01

    Full Text Available Evaporation, which is an important factor in the water balance at the basin scale, is a critical variable in the determination of local available water resources. Since the potential evaporation is mainly influenced by meteorological variables, it is necessary to investigate the extent to which different meteorological variables affect the potential evaporation. The aim of this study was to explore the variation trends of different meteorological variables, and their impacts on the potential evaporation. This study selected the Hailar Meteorological Station of the Hailar region, which is situated in a cold, semi-arid, and sub-humid region, as a case study site. Based on observed daily meteorological data from 1951 to 2009, the potential evaporation was calculated with the Penman formula, and the variations of meteorological variables were investigated with the nonparametric Mann-Kendall test. The correlation between the potential evaporation and each meteorological variable at annual and seasonal scales was also analyzed. The results show that the annual and seasonal potential evaporation and air temperature present increasing trends, whereas the wind speed, sunshine duration, and relative humidity present decreasing trends. Among the meteorological variables, the air temperature and relative humidity are the key factors that affect potential evaporation at different time scales, and the impacts of other meteorological variables on the potential evaporation are not significant and vary with time scales.

  15. Surface-wave potential for triggering tectonic (nonvolcanic) tremor

    Science.gov (United States)

    Hill, D.P.

    2010-01-01

    Source processes commonly posed to explain instances of remote dynamic triggering of tectonic (nonvolcanic) tremor by surface waves include frictional failure and various modes of fluid activation. The relative potential for Love- and Rayleigh-wave dynamic stresses to trigger tectonic tremor through failure on critically stressed thrust and vertical strike-slip faults under the Coulomb-Griffith failure criteria as a function of incidence angle is anticorrelated over the 15- to 30-km-depth range that hosts tectonic tremor. Love-wave potential is high for strike-parallel incidence on low-angle reverse faults and null for strike-normal incidence; the opposite holds for Rayleigh waves. Love-wave potential is high for both strike-parallel and strike-normal incidence on vertical, strike-slip faults and minimal for ~45?? incidence angles. The opposite holds for Rayleigh waves. This pattern is consistent with documented instances of tremor triggered by Love waves incident on the Cascadia mega-thrust and the San Andreas fault (SAF) in central California resulting from shear failure on weak faults (apparent friction, ????? 0.2). However, documented instances of tremor triggered by surface waves with strike-parallel incidence along the Nankai megathrust beneath Shikoku, Japan, is associated primarily with Rayleigh waves. This is consistent with the tremor bursts resulting from mixed-mode failure (crack opening and shear failure) facilitated by near-lithostatic ambient pore pressure, low differential stress, with a moderate friction coefficient (?? ~ 0.6) on the Nankai subduction interface. Rayleigh-wave dilatational stress is relatively weak at tectonic tremor source depths and seems unlikely to contribute significantly to the triggering process, except perhaps for an indirect role on the SAF in sustaining tremor into the Rayleigh-wave coda that was initially triggered by Love waves.

  16. The Contribution of Reservoirs to Global Land Surface Water Storage Variations

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Tian; Nijssen, Bart; Gao, Huilin; Lettenmaier, Dennis P.

    2016-12-21

    Man-made reservoirs play a key role in the terrestrial water system. They alter water fluxes at the land surface and impact surface water storage through water management regulations for diverse purposes such as irrigation, municipal water supply, hydropower generation, and flood control. Although most developed countries have established sophisticated observing systems for many variables in the land surface water cycle, long-term and consistent records of reservoir storage are much more limited and not always shared. Furthermore, most land surface hydrological models do not represent the effects of water management activities. Here, the contribution of reservoirs to seasonal water storage variations is investigated using a large-scale water management model to simulate the effects of reservoir management at basin and continental scales. The model was run from 1948 to 2010 at a spatial resolution of 0.258 latitude–longitude. A total of 166 of the largest reservoirs in the world with a total capacity of about 3900 km3 (nearly 60%of the globally integrated reservoir capacity) were simulated. The global reservoir storage time series reflects the massive expansion of global reservoir capacity; over 30 000 reservoirs have been constructed during the past half century, with a mean absolute interannual storage variation of 89 km3. The results indicate that the average reservoir-induced seasonal storage variation is nearly 700 km3 or about 10%of the global reservoir storage. For some river basins, such as the Yellow River, seasonal reservoir storage variations can be as large as 72%of combined snow water equivalent and soil moisture storage.

  17. Sea-surface salinity variations in the northern Caribbean Sea across the Mid-Pleistocene Transition

    OpenAIRE

    Sepulcre, S.; Vidal, L.; Tachikawa, K.; Rostek, F.; Bard, E.

    2011-01-01

    By reconstructing past hydrologic variations in the Northern Caribbean Sea and their influence on the stability of the Atlantic Meridional Overturning Circulation (AMOC) during the last 940 ka, we seek to document climate changes in this tropical area in response to the Mid-Pleistocene Transition (MPT). Using core MD03-2628, we estimated past changes in sea surface salinity (SSS) using Δδ18O, the difference between the modern, and the past &delta...

  18. Phenological Variations in the Surface Flavonoids of Artemisia vulgaris L. and Artemisia absinthium L.

    OpenAIRE

    NIKOLOVA, Milena; VELICKOVIC, Dragan

    2007-01-01

    Qualitative and quantitative variations in the surface flavonoids in relation to phenological development of Artemisia vulgaris L. and Artemisia absinthium L. were examined. Plant material was harvested at different phenological stages (vegetative, before budding, floral budding, flowering, and fruiting) of the life cycle of the species. In A. vulgaris and A. absinthium acetone exudates, 6 and 4 flavonoid aglycones were identified, respectively, by TLC analysis. Quercetin 3,7,3'-trim...

  19. CO dimer: new potential energy surface and rovibrational calculations.

    Science.gov (United States)

    Dawes, Richard; Wang, Xiao-Gang; Carrington, Tucker

    2013-08-15

    The spectrum of CO dimer was investigated by solving the rovibrational Schrödinger equation on a new potential energy surface constructed from coupled-cluster ab initio points. The Schrödinger equation was solved with a Lanczos algorithm. Several 4D (rigid monomer) global ab initio potential energy surfaces (PESs) were made using a previously reported interpolating moving least-squares (IMLS) fitting procedure specialized to describe the interaction of two linear fragments. The potential has two nonpolar minima giving rise to a complicated set of energy level stacks, which are very sensitive to the shapes and relative depths of the two wells. Although the CO dimer has defied previous attempts at an accurate purely ab initio description our best surface yields results in good agreement with experiment. Root-mean-square (rms) fitting errors of less than 0.1 cm(-1) were obtained for each of the fits using 2226 ab initio data at different levels. This allowed direct assessment of the quality of various levels of ab initio theory for prediction of spectra. Our tests indicate that standard CCSD(T) is slow to converge the interaction energy even when sextuple zeta bases as large as ACV6Z are used. The explicitly correlated CCSD(T)-F12b method was found to recover significantly more correlation energy (from singles and doubles) at the CBS limit. Correlation of the core-electrons was found to be important for this system. The best PES was obtained by extrapolation of calculations at the CCSD(T)(AE)-F12b/CVnZ-F12 (n = 3,4) levels. The calculated energy levels were compared to 105 J ≤ 10 levels from experiment. The rms error for 68 levels with J ≤ 6 is only 0.29 cm(-1). The calculated energy levels were assigned stack labels using several tools. New stacks were found. One of them, stack y1, has an energy lower than many previously known stacks and may be observable.

  20. Impurities and Electronic Property Variations of Natural MoS 2 Crystal Surfaces

    KAUST Repository

    Addou, Rafik

    2015-09-22

    Room temperature X-ray photoelectron spectroscopy (XPS), inductively coupled plasma mass spectrometry (ICPMS), high resolution Rutherford backscattering spectrometry (HR-RBS), Kelvin probe method, and scanning tunneling microscopy (STM) are employed to study the properties of a freshly exfoliated surface of geological MoS2 crystals. Our findings reveal that the semiconductor 2H-MoS2 exhibits both n- and p-type behavior, and the work function as measured by the Kelvin probe is found to vary from 4.4 to 5.3 eV. The presence of impurities in parts-per-million (ppm) and a surface defect density of up to 8% of the total area could explain the variation of the Fermi level position. High resolution RBS data also show a large variation in the MoSx composition (1.8 < x < 2.05) at the surface. Thus, the variation in the conductivity, the work function, and stoichiometry across small areas of MoS2 will have to be controlled during crystal growth in order to provide high quality uniform materials for future device fabrication. © 2015 American Chemical Society.

  1. Stabilized quasi-Newton optimization of noisy potential energy surfaces

    International Nuclear Information System (INIS)

    Schaefer, Bastian; Goedecker, Stefan; Alireza Ghasemi, S.; Roy, Shantanu

    2015-01-01

    Optimizations of atomic positions belong to the most commonly performed tasks in electronic structure calculations. Many simulations like global minimum searches or characterizations of chemical reactions require performing hundreds or thousands of minimizations or saddle computations. To automatize these tasks, optimization algorithms must not only be efficient but also very reliable. Unfortunately, computational noise in forces and energies is inherent to electronic structure codes. This computational noise poses a severe problem to the stability of efficient optimization methods like the limited-memory Broyden–Fletcher–Goldfarb–Shanno algorithm. We here present a technique that allows obtaining significant curvature information of noisy potential energy surfaces. We use this technique to construct both, a stabilized quasi-Newton minimization method and a stabilized quasi-Newton saddle finding approach. We demonstrate with the help of benchmarks that both the minimizer and the saddle finding approach are superior to comparable existing methods

  2. Exploring Multiple Potential Energy Surfaces: Photochemistry of Small Carbonyl Compounds

    Directory of Open Access Journals (Sweden)

    Satoshi Maeda

    2012-01-01

    Full Text Available In theoretical studies of chemical reactions involving multiple potential energy surfaces (PESs such as photochemical reactions, seams of intersection among the PESs often complicate the analysis. In this paper, we review our recipe for exploring multiple PESs by using an automated reaction path search method which has previously been applied to single PESs. Although any such methods for single PESs can be employed in the recipe, the global reaction route mapping (GRRM method was employed in this study. By combining GRRM with the proposed recipe, all critical regions, that is, transition states, conical intersections, intersection seams, and local minima, associated with multiple PESs, can be explored automatically. As illustrative examples, applications to photochemistry of formaldehyde and acetone are described. In these examples as well as in recent applications to other systems, the present approach led to discovery of many unexpected nonadiabatic pathways, by which some complicated experimental data have been explained very clearly.

  3. Improved DFT Potential Energy Surfaces via Improved Densities.

    Science.gov (United States)

    Kim, Min-Cheol; Park, Hansol; Son, Suyeon; Sim, Eunji; Burke, Kieron

    2015-10-01

    Density-corrected DFT is a method that cures several failures of self-consistent semilocal DFT calculations by using a more accurate density instead. A novel procedure employs the Hartree-Fock density to bonds that are more severely stretched than ever before. This substantially increases the range of accurate potential energy surfaces obtainable from semilocal DFT for many heteronuclear molecules. We show that this works for both neutral and charged molecules. We explain why and explore more difficult cases, for example, CH(+), where density-corrected DFT results are even better than sophisticated methods like CCSD. We give a simple criterion for when DC-DFT should be more accurate than self-consistent DFT that can be applied for most cases.

  4. Near Surface Seismic Reflection Imaging: Great Potential Under Critical Eye

    Science.gov (United States)

    Miller, R. D.; Peterie, S.; Judy, B. E.

    2014-12-01

    Seismic-reflection imaging has long been a mainstay in the oil and gas exploration community with mind boggling advancements in just the last decade, but its application to engineering, environmental, and groundwater problems has not seen the same level of utilization. A great deal of the problem lies in the many assumptions that are valid for deep exploration that are violated in the very complex near surface. Large channel systems with acquisition geometries conducive for both deep and shallow targets are many times assumed to be capable of extending the imaging depth window. In reality, constraints of the source and sensor/recording systems must be considered, where large powerful sources are needed to image exploration depths while low-energy, high-frequency sources are required for the shallow and thin targets in the near surface. Attempts to make one size fit all will result in artifacts that result in bogus images and characterizations in the shallow subsurface.Narrow optimum offsets, highly attenuative materials, extreme velocity variability, wavefield interference, and low signal-to-noise ratios provide an ideal breeding ground for the generation of artifacts on near-surface seismic-reflection data. With the cost of shallow reflection data being so high relative to other geophysical methods and invasive sampling, sometimes a single failure can hinder the growth in the use of the method. The method is extremely powerful and has the potential to provide vast quantities of information critical to understand the distributed hydrogeological and biogeochemical processes that elude borehole investigations. It is imperative that data be acquired in its rawest possible form and be processed with an eye to each operation. Cost savings sometimes result in one-size-fits-all acquisition and automated processing flows. Attention to detail and following signal from origination to characterization is essential.

  5. Assessment of broiler surface temperature variation when exposed to different air temperatures

    Directory of Open Access Journals (Sweden)

    GR Nascimento

    2011-12-01

    Full Text Available This study was conducted to determine the effect of the air temperature variation on the mean surface temperature (MST of 7- to 35-day-old broiler chickens using infrared thermometry to estimate MST, and to study surface temperature variation of the wings, head, legs, back and comb as affected by air temperature and broiler age. One hundred Cobb® broilers were used in the experiment. Starting on day 7, 10 birds were weekly selected at random, housed in an environmental chamber and reared under three distinct temperatures (18, 25 and 32 ºC to record their thermal profile using an infrared thermal camera. The recorded images were processed to estimate MST by selecting the whole area of the bird within the picture and comparing it with the values obtained using selected equations in literature, and to record the surface temperatures of the body parts. The MST estimated by infrared images were not statistically different (p > 0.05 from the values obtained by the equations. MST values significantly increased (p < 0.05 when the air temperature increased, but were not affected by bird age. However, age influenced the difference between MST and air temperature, which was highest on day 14. The technique of infrared thermal image analysis was useful to estimate the mean surface temperature of broiler chickens.

  6. Impact of Water Withdrawals from Groundwater and Surface Water on Continental Water Storage Variations

    Science.gov (United States)

    Doell, Petra; Hoffmann-Dobrev, Heike; Portmann, Felix T.; Siebert, Stefan; Eicker, Annette; Rodell, Matthew; Strassberg, Gil

    2011-01-01

    Humans have strongly impacted the global water cycle, not only water flows but also water storage. We have performed a first global-scale analysis of the impact of water withdrawals on water storage variations, using the global water resources and use model WaterGAP. This required estimation of fractions of total water withdrawals from groundwater, considering five water use sectors. According to our assessment, the source of 35% of the water withdrawn worldwide (4300 cubic km/yr during 1998-2002) is groundwater. Groundwater contributes 42%, 36% and 27% of water used for irrigation, households and manufacturing, respectively, while we assume that only surface water is used for livestock and for cooling of thermal power plants. Consumptive water use was 1400 cubic km/yr during 1998-2002. It is the sum of the net abstraction of 250 cubic km/yr of groundwater (taking into account evapotranspiration and return flows of withdrawn surface water and groundwater) and the net abstraction of 1150 km3/yr of surface water. Computed net abstractions indicate, for the first time at the global scale, where and when human water withdrawals decrease or increase groundwater or surface water storage. In regions with extensive surface water irrigation, such as Southern China, net abstractions from groundwater are negative, i.e. groundwater is recharged by irrigation. The opposite is true for areas dominated by groundwater irrigation, such as in the High Plains aquifer of the central USA, where net abstraction of surface water is negative because return flow of withdrawn groundwater recharges the surface water compartments. In intensively irrigated areas, the amplitude of seasonal total water storage variations is generally increased due to human water use; however, in some areas, it is decreased. For the High Plains aquifer and the whole Mississippi basin, modeled groundwater and total water storage variations were compared with estimates of groundwater storage variations based on

  7. Comparison of Surface and Column Variations of CO2 Over Urban Areas for Future Active Remote CO2 Sensors

    Science.gov (United States)

    Choi, Yonghoon; Yang, Melissa; Kooi, Susan; Browell, Edward

    2015-01-01

    High resolution in-situ CO2 measurements were recorded onboard the NASA P-3B during the DISCOVER-AQ (Deriving Information on Surface Conditions from Column and Vertically Resolved Observations Relevant to Air Quality) Field Campaign, to investigate the ability of space-based observations to accurately assess near surface conditions related to air quality. This campaign includes, Washington DC/Baltimore, MD (July 2011), San Joaquin Valley, CA (January - February 2013), Houston, TX (September 2013), and Denver, CO (July-August 2014). Each of these campaigns consisted of missed approaches and approximately two hundred vertical soundings of CO2 within the lower troposphere (surface to about 5 km). In this study, surface (0 - 1 km) and column-averaged (0 - 3.5 km) CO2 mixing ratio values from the vertical soundings in the four geographically different urban areas are used to investigate the temporal and spatial variability of CO2 within the different urban atmospheric emission environments. Tracers such as CO, CH2O, NOx, and NMHCs are used to identify the source of CO2 variations in the urban sites. Additionally, we apply nominal CO2 column weighting functions for potential future active remote CO2 sensors operating in the 1.57-microns and 2.05-microns measurement regions to convert the in situ CO2 vertical mixing ratio profiles to variations in CO2 column optical depths, which is what the active remote sensors actually measure. Using statistics calculated from the optical depths at each urban site measured during the DISCOVER-AQ field campaign and for each nominal weighting function, we investigate the natural variability of CO2 columns in the lower troposphere; relate the CO2 column variability to the urban surface emissions; and show the measurement requirements for the future ASCENDS (Active Sensing of CO2 Emissions over Nights, Days, and Seasons) in the continental U.S. urban areas.

  8. GPM and TRMM Radar Vertical Profiles and Impact on Large-scale Variations of Surface Rain

    Science.gov (United States)

    Wang, J. J.; Adler, R. F.

    2017-12-01

    Previous studies by the authors using Tropical Rainfall Measuring Mission (TRMM) and Global Precipitation Measurement (GPM) data have shown that TRMM Precipitation Radar (PR) and GPM Dual-Frequency Precipitation Radar (DPR) surface rain estimates do not have corresponding amplitudes of inter-annual variations over the tropical oceans as do passive microwave observations by TRMM Microwave Imager (TMI) and GPM Microwave Imager (GMI). This includes differences in surface temperature-rainfall variations. We re-investigate these relations with the new GPM Version 5 data with an emphasis on understanding these differences with respect to the DPR vertical profiles of reflectivity and rainfall and the associated convective and stratiform proportions. For the inter-annual variation of ocean rainfall from both passive microwave (TMI and GMI) and active microwave (PR and DPR) estimates, it is found that for stratiform rainfall both TMI-PR and GMI-DPR show very good correlation. However, the correlation of GMI-DPR is much higher than TMI-PR in convective rainfall. The analysis of vertical profile of PR and DPR rainfall during the TRMM and GPM overlap period (March-August, 2014) reveals that PR and DPR have about the same rainrate at 4km and above, but PR rainrate is more than 10% lower that of DPR at the surface. In other words, it seems that convective rainfall is better defined with DPR near surface. However, even though the DPR results agree better with the passive microwave results, there still is a significant difference, which may be a result of DPR retrieval error, or inherent passive/active retrieval differences. Monthly and instantaneous GMI and DPR data need to be analyzed in details to better understand the differences.

  9. Temporal variation of 228Ra in the near-surface Gulf of Mexico

    International Nuclear Information System (INIS)

    Reid, F.D.; Moore, W.S.; Sackett, W.M.

    1979-01-01

    The Mn-fiber technique for extracting radium from seawater has proved useful for studying the marine geochemistry of 228 Ra. In the Gulf of Mexico, this technique was used to measure the surface and near-surface distribution of 226 Ra and 228 Ra. The observed surface distribution of 228 Ra, and particularly the radium activity ratio (228/226) can be explained by known circulation patterns, or, when local surface currents are not well understood, may provide insight into their general characteristics. The radium activity ratio has increased from 0.5 in 1968 to 0.7 in 1973 in the surface Gulf of Mexico. This observed increase cannot be attributed to known anthropogenic or natural source perturbations within the Caribbean Sea-Gulf of Mexico system. Possible causes include a change in the residence time for near-surface water, or variations in the relative dominance of the two eastern Caribbean; the North Equatorial Current and the Guiana Current. The temporal distribution of 228 Ra is unstable and naturally variable over a time period less than or equal to five years in the Gulf of Mexico and by extrapolation, the Caribbean Sea. Therefore, its usefulness in calculations of eddy diffusion coefficients for these regions is greatly diminished. (Auth.)

  10. Lateral variation in crustal and mantle structure in Bay of Bengal based on surface wave data

    Science.gov (United States)

    Kumar, Amit; Mukhopadhyay, Sagarika; Kumar, Naresh; Baidya, P. R.

    2018-01-01

    Surface waves generated by earthquakes that occurred near Sumatra, Andaman-Nicobar Island chain and Sunda arc are used to estimate crustal and upper mantle S wave velocity structure of Bay of Bengal. Records of these seismic events at various stations located along the eastern coast of India and a few stations in the north eastern part of India are selected for such analysis. These stations lie within regional distance of the selected earthquakes. The selected events are shallow focused with magnitude greater than 5.5. Data of 65, 37, 36, 53 and 36 events recorded at Shillong, Bokaro, Visakhapatnam, Chennai and Trivandrum stations respectively are used for this purpose. The ray paths from the earthquake source to the recording stations cover different parts of the Bay of Bengal. Multiple Filtering Technique (MFT) is applied to compute the group velocities of surface waves from the available data. The dispersion curves thus obtained for this data set are within the period range of 15-120 s. Joint inversion of Rayleigh and Love wave group velocity is carried out to obtain the subsurface information in terms of variation of S wave velocity with depth. The estimated S wave velocity at a given depth and layer thickness can be considered to be an average value for the entire path covered by the corresponding ray paths. However, we observe variation in the value of S wave velocity and layer thickness from data recorded at different stations, indicating lateral variation in these two parameters. Thick deposition of sediments is observed along the paths followed by surface waves to Shillong and Bokaro stations. Sediment thickness keeps on decreasing as the surface wave paths move further south. Based on velocity variation the sedimentary layer is further divided in to three parts; on top lay unconsolidated sediment, underlain by consolidated sediment. Below this lies a layer which we consider as meta-sediments. The thickness and velocity of these layers decrease from north

  11. Color Variation on the Surfaces of Jupiter’s Greek and Trojan Asteroids

    Science.gov (United States)

    Chatelain, Joseph; Trilling, David E.; Emery, Joshua P.

    2017-10-01

    The L4 and L5 Lagrange points of Jupiter are populated with thousands of known, and possibly hundreds of thousands of unknown, Greek and Trojan Asteroids. Understanding the environmental and weathering conditions experienced by these objects over their lifetimes could constrain formation models for the Solar System. In an effort to shine some light on this issue, we have collected partial, simultaneous, lightcurves in both Johnson-Cousins V and I filters for a dozen large Jupiter Trojans. We found significant signs of color variation over the surfaces of four of these objects, and more subtle signs on an additional four. The most convincing examples of variation occur on (4709) Ennomos and (4833) Meges. Such a variation in color with rotation likely implies a large surface feature such as a recent crater. That such a high fraction of observed Trojans display these signatures could imply a more active collisional history for Jupiter Trojans than previously thought. It is therefore likely that one or more of the targets for the Lucy mission will have experienced a large, relatively recent, cratering event. This may help us obtain a much more in-depth understanding of the evolutionary processes ongoing for the Jupiter Trojan populations.

  12. Phenotypic variation and water selection potential in the stem structure of invasive alligator weed

    Science.gov (United States)

    Du, Leshan; Yang, Beifen; Guan, Wenbin; Li, Junmin

    2016-02-01

    The morphological and anatomical characteristics of stems have been found to be related to drought resistance in plants. Testing the phenotypic selection of water availability on stem anatomical traits would be useful for exploring the evolutionary potential of the stem in response to water availability. To test the phenotypic variation of the stem anatomical traits of an invasive plant in response to water availability, we collected a total of 320 individuals of Alternanthera philoxeroides from 16 populations from terrestrial and aquatic habitats in 8 plots in China and then analyzed the variation, differentiation, plasticity and selection potential of water availability on the stem anatomical traits. We found that except for the thickness of the cortex, all of the examined phenotypic parameters of the A. philoxeroides stem were significantly and positively correlated with soil water availability. The phenotypic differentiation coefficient for all of the anatomical structural parameters indicated that most of the variation existed between habitats within the same plot, whereas there was little variation among plots or among individuals within the same habitat except for variation in the thickness of the cortex. A significant phenotypic plasticity response to water availability was found for all of the anatomical traits of A. philoxeroides stem except for the thickness of the cortex. The associations between fitness and some of the anatomical traits, such as the stem diameter, the cortex area-to-stem area ratio, the pith cavity area-to-stem area ratio and the density of vascular bundles, differed with heterogeneous water availability. In both the aquatic and terrestrial habitats, no significant directional selection gradient was found for the stem diameter, the cortex area-to-stem area ratio or the density of vascular bundles. These results indicated that the anatomical structure of the A. philoxeroides stem may play an important role in the adaptation to changes

  13. The impact of land and sea surface variations on the Delaware sea breeze at local scales

    Science.gov (United States)

    Hughes, Christopher P.

    The summertime climate of coastal Delaware is greatly influenced by the intensity, frequency, and location of the local sea breeze circulation. Sea breeze induced changes in temperature, humidity, wind speed, and precipitation influence many aspects of Delaware's economy by affecting tourism, farming, air pollution density, energy usage, and the strength, and persistence of Delaware's wind resource. The sea breeze front can develop offshore or along the coastline and often creates a near surface thermal gradient in excess of 5°C. The purpose of this dissertation is to investigate the dynamics of the Delaware sea breeze with a focus on the immediate coastline using observed and modeled components, both at high resolutions (~200m). The Weather Research and Forecasting model (version 3.5) was employed over southern Delaware with 5 domains (4 levels of nesting), with resolutions ranging from 18km to 222m, for June 2013 to investigate the sensitivity of the sea breeze to land and sea surface variations. The land surface was modified in the model to improve the resolution, which led to the addition of land surface along the coastline and accounted for recent urban development. Nine-day composites of satellite sea surface temperatures were ingested into the model and an in-house SST forcing dataset was developed to account for spatial SST variation within the inland bays. Simulations, which include the modified land surface, introduce a distinct secondary atmospheric circulation across the coastline of Rehoboth Bay when synoptic offshore wind flow is weak. Model runs using high spatial- and temporal-resolution satellite sea surface temperatures over the ocean indicate that the sea breeze landfall time is sensitive to the SST when the circulation develops offshore. During the summer of 2013 a field campaign was conducted in the coastal locations of Rehoboth Beach, DE and Cape Henlopen, DE. At each location, a series of eleven small, autonomous thermo-sensors (i

  14. Variation in Pockels constants of silicate glass-ceramics prepared by perfect surface crystallization

    Science.gov (United States)

    Takano, Kazuya; Takahashi, Yoshihiro; Miyazaki, Takamichi; Terakado, Nobuaki; Fujiwara, Takumi

    2018-01-01

    We investigated the Pockels effect in polycrystalline materials consisting of highly oriented polar fresnoite-type Sr2TiSi2O8 fabricated using perfectly surface-crystallized glass-ceramics (PSC-GCs). The chemical composition of the precursor glass was shown to significantly affect the crystallized texture, e.g., the crystal orientation and appearance of amorphous nanoparasites in the domains, resulting in variations in the Pockels constants. Single crystals exhibiting spontaneous polarization possessed large structural anisotropy, leading to a strong dependence of the nonlinear-optical properties on the direction of polarized light. This study suggests that variations in the Pockels constants (r13 and r33) and tuning of the r13/r33 ratio can be realized in PSC-GC materials.

  15. Delta self-consistent field method to obtain potential energy surfaces of excited molecules on surfaces

    DEFF Research Database (Denmark)

    Gavnholt, Jeppe; Olsen, Thomas; Engelund, Mads

    2008-01-01

    is a density-functional method closely resembling standard density-functional theory (DFT), the only difference being that in Delta SCF one or more electrons are placed in higher lying Kohn-Sham orbitals instead of placing all electrons in the lowest possible orbitals as one does when calculating the ground......-photoemission spectroscopy measurements. This comparison shows that the modified Delta SCF method gives results in close agreement with experiment, significantly closer than the comparable methods. For N2 adsorbed on ruthenium (0001) we map out a two-dimensional part of the potential energy surfaces in the ground state...

  16. Homogenization mechanism of the residual surface potential of insulating specimens under electron beam irradiation

    International Nuclear Information System (INIS)

    Li Jingjing; Zhang Haibo; Feng Renjian

    2007-01-01

    A homogenized surface potential is desirable for the observation of a pre-irradiated insulating specimen using a scanning electron microscope because the residual surface potential may affect the imaging properties of the specimen. To homogenize the residual surface potential, the specimen should be subjected to the irradiation of an electron beam with the total electron yield greater than one. The expression of the equilibrium potential is derived based on the charge balance condition in the equilibrium state and the potential value is found to increase mainly with the secondary electron (SE) yield and the most probable emission energy of SEs. Further numerical calculations of SE trajectories show that affected by different surface potentials, SEs leave or return to the specimen surface to change the net charge flux into the specimen. This thereby increases the surface potential below the equilibrium potential and decreases that above the equilibrium potential, homogenizing the surface potential

  17. “Mapping the regional variation in potential vulnerability in Indian ...

    African Journals Online (AJOL)

    GREG

    India is potentially vulnerable to adverse impacts in agriculture on account of climate change. The. Anticipated changes in water availability (surface, freshwater and ground water), temperature rise, soil degradation and the suggested increase in extreme events such as the drought, floods and cyclones will affect agricultural ...

  18. “Mapping the regional variation in potential vulnerability in Indian ...

    African Journals Online (AJOL)

    India is potentially vulnerable to adverse impacts in agriculture on account of climate change. The Anticipated changes in water availability (surface, freshwater and ground water), temperature rise, soil degradation and the suggested increase in extreme events such as the drought, floods and cyclones will affect agricultural ...

  19. Response of rapidly developing extratropical cyclones to sea surface temperature variations over the western Kuroshio-Oyashio confluence region

    Science.gov (United States)

    Hirata, Hidetaka; Kawamura, Ryuichi; Kato, Masaya; Shinoda, Taro

    2016-04-01

    The dynamical response of rapidly developing extratropical cyclones to sea surface temperature (SST) variations over the western Kuroshio-Oyashio confluence (WKOC) region was examined by using regional cloud-resolving simulations. This study specifically highlights an explosive cyclone that occurred in early February 2014 and includes a real SST experiment (CNTL run) and two sensitivity experiments with warm and cool SST anomalies over the WKOC region (warm and cool runs). The results derived from the CNTL run indicated that moisture supply from the ocean was enhanced when the dry air associated with the cold conveyor belt (CCB) overlapped with warm currents. Further, the evaporated moisture contributed substantially to latent heat release over the bent-back front with the aid of the CCB, leading to cyclone intensification and strengthening of the asymmetric structure around the cyclone's center. Such successive processes were more active in the warm run than in the cool run. The dominance of the zonally asymmetric structure resulted in a difference in sea level pressure around the bent-back front between the two runs. The WKOC SST variations have the potential to affect strong wind distributions along the CCB through modification of the cyclone's inner system. Additional experiments with two other cyclones showed that the cyclone response to the WKOC SST variations became evident when the CCB north of the cyclone's center overlapped with that region, confirming that the dry nature of the CCB plays an important role in latent heat release by allowing for larger moisture supply from the ocean.

  20. The Variation of Planetary Surfaces' Structure and Size Distribution with Depth

    Science.gov (United States)

    Charalambous, C. A.; Pike, W. T.

    2014-12-01

    The particle, rock and boulder size distribution of a planetary surface bring important implications not only to crucial aspects of future missions but also to the better understanding of planetary and earth sciences. By exploiting a novel statistical model, the evolution of particle fragmentation phenomena can be understood in terms of a descriptive maturity index, a measure of the number of fragmentation events that have produced the soil. This statistical model, which is mathematically constructed via fundamental physical principles, has been validated by terrestrial mineral grinding data and impact experiments. Applying the model to planetary surfaces, the number of fragmentation events is determined by production function curves that quantify the degree of impact cratering. The model quantifies the variation of the maturity index of the regolith with depth, with a high maturity index at the surface decreasing to a low index corresponding to the megaregolith of a blocky population and fractured bedrock. The measured lunar and martian particle size distributions at the surface is well matched by the model over several orders of magnitude. The continuous transition invoked by the model can be furthermore synthesised to provide temporal and spatial visualisations of the internal architecture of the Martian and Lunar regolith. Finally, the model is applied to the risk assessment and success criteria of future mission landings as well as drilling on planetary surfaces. The solutions to a variety of planetary fragmentation related problems can be found via exact mathematical foundations or through simulations using the particle population provided by the model's maturation.

  1. Does quality control matter? Surface urban heat island intensity variations estimated by satellite-derived land surface temperature products

    Science.gov (United States)

    Lai, Jiameng; Zhan, Wenfeng; Huang, Fan; Quan, Jinling; Hu, Leiqiu; Gao, Lun; Ju, Weimin

    2018-05-01

    The temporally regular and spatially comprehensive monitoring of surface urban heat islands (SUHIs) have been extremely difficult, until the advent of satellite-based land surface temperature (LST) products. However, these LST products have relatively higher errors compared to in situ measurements. This has resulted in comparatively inaccurate estimations of SUHI indicators and, consequently, may have distorted interpretations of SUHIs. Although reports have shown that LST qualities are important for SUHI interpretations, systematic investigations of the response of SUHI indicators to LST qualities across cities with dissimilar bioclimates are rare. To address this issue, we chose eighty-six major cities across mainland China and analyzed SUHI intensity (SUHII) derived from Moderate Resolution Imaging Spectroradiometer (MODIS) LST data. The LST-based SUHII differences due to inclusion or exclusion of MODIS quality control (QC) flags (i.e., ΔSUHII) were evaluated. Our major findings included, but are not limited to, the following four aspects: (1) SUHIIs can be significantly impacted by MODIS QC flags, and the associated QC-induced ΔSUHIIs generally accounted for 24.3% (29.9%) of the total SUHII value during the day (night); (2) the ΔSUHIIs differed between seasons, with considerable differences between transitional (spring and autumn) and extreme (summer and winter) seasons; (3) significant discrepancies also appeared among cities located in northern and southern regions, with northern cities often possessing higher annual mean ΔSUHIIs. The internal variations of ΔSUHIIs within individual cities also showed high heterogeneity, with ΔSUHII variations that generally exceeded 5.0 K (3.0 K) in northern (southern) cities; (4) ΔSUHIIs were negatively related to SUHIIs and cloud cover percentages (mostly in transitional seasons). No significant relationship was found in the extreme seasons. Our findings highlight the need to be extremely cautious when using LST

  2. The shape and surface variation of 2 Pallas from the Hubble Space Telescope.

    Science.gov (United States)

    Schmidt, B E; Thomas, P C; Bauer, J M; Li, J-Y; McFadden, L A; Mutchler, M J; Radcliffe, S C; Rivkin, A S; Russell, C T; Parker, J Wm; Stern, S A

    2009-10-09

    We obtained Hubble Space Telescope images of 2 Pallas in September 2007 that reveal distinct color and albedo variations across the surface of this large asteroid. Pallas's shape is an ellipsoid with radii of 291 (+/-9), 278 (+/-9), and 250 (+/-9) kilometers, implying a density of 2400 (+/-250) kilograms per cubic meter-a value consistent with a body that formed from water-rich material. Our observations are consistent with the presence of an impact feature, 240 (+/-25) kilometers in diameter, within Pallas's ultraviolet-dark terrain. Our observations imply that Pallas is an intact protoplanet that has undergone impact excavation and probable internal alteration.

  3. Local electron tomography using angular variations of surface tangents: Stomo version 2

    Science.gov (United States)

    Petersen, T. C.; Ringer, S. P.

    2012-03-01

    In a recent publication, we investigated the prospect of measuring the outer three-dimensional (3D) shapes of nano-scale atom probe specimens from tilt-series of images collected in the transmission electron microscope. For this purpose alone, an algorithm and simplified reconstruction theory were developed to circumvent issues that arise in commercial "back-projection" computations in this context. In our approach, we give up the difficult task of computing the complete 3D continuum structure and instead seek only the 3D morphology of internal and external scattering interfaces. These interfaces can be described as embedded 2D surfaces projected onto each image in a tilt series. Curves and other features in the images are interpreted as inscribed sets of tangent lines, which intersect the scattering interfaces at unknown locations along the direction of the incident electron beam. Smooth angular variations of the tangent line abscissa are used to compute the surface tangent intersections and hence the 3D morphology as a "point cloud". We have published the explicit details of our alternative algorithm along with the source code entitled "stomo_version_1". For this work, we have further modified the code to efficiently handle rectangular image sets, perform much faster tangent-line "edge detection" and smoother tilt-axis image alignment using simple bi-linear interpolation. We have also adapted the algorithm to detect tangent lines as "ridges", based upon 2nd order partial derivatives of the image intensity; the magnitude and orientation of which is described by a Hessian matrix. Ridges are more appropriate descriptors for tangent-line curves in phase contrast images outlined by Fresnel fringes or absorption contrast data from fine-scale objects. Improved accuracy, efficiency and speed for "stomo_version_2" is demonstrated in this paper using both high resolution electron tomography data of a nano-sized atom probe tip and simulated absorption-contrast images

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

    Directory of Open Access Journals (Sweden)

    N. Tsukahara

    2012-01-01

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

  5. Decadal variations in estimated surface solar radiation over Switzerland since the late 19th century

    Directory of Open Access Journals (Sweden)

    A. Sanchez-Lorenzo

    2012-09-01

    Full Text Available Our knowledge on trends in surface solar radiation (SSR involves uncertainties due to the scarcity of long-term time series of SSR, especially with records before the second half of the 20th century. Here we study the trends of all-sky SSR from 1885 to 2010 in Switzerland, which have been estimated using a homogenous dataset of sunshine duration series. This variable is shown to be a useful proxy data of all-sky SSR, which can help to solve some of the current open issues in the dimming/brightening phenomenon. All-sky SSR has been fairly stable with little variations in the first half of the 20th century, unlike the second half of the 20th century that is characterized also in Switzerland by a dimming from the 1950s to the 1980s and a subsequent brightening. Cloud cover changes seem to explain the major part of the decadal variability observed in all-sky SSR, at least from 1885 to the 1970s; at this point, a discrepancy in the sign of the trend is visible in the all-sky SSR and cloud cover series from the 1970s to the present. Finally, an attempt to estimate SSR series for clear-sky conditions, based also on sunshine duration records since the 1930s, has been made for the first time. The mean clear-sky SSR series shows no relevant changes between the 1930s to the 1950s, then a decrease, smaller than the observed in the all-sky SSR, from the 1960s to 1970s, and ends with a strong increase from the 1980s up to the present. During the three decades from 1981 to 2010 the estimated clear-sky SSR trends reported in this study are in line with previous findings over Switzerland based on direct radiative flux measurements. Moreover, the signal of the El Chichón and Pinatubo volcanic eruption visible in the estimated clear-sky SSR records further demonstrates the potential to infer aerosol-induced radiation changes from sunshine duration observations.

  6. Near-surface remote sensing of spatial and temporal variation in canopy phenology

    Science.gov (United States)

    Andrew D. Richardson; Bobby H. Braswell; David Y. Hollinger; Julian P. Jenkins; Scott V. Ollinger

    2009-01-01

    There is a need to document how plant phenology is responding to global change factors, particularly warming trends. "Near-surface" remote sensing, using radiometric instruments or imaging sensors, has great potential to improve phenological monitoring because automated observations can be made at high temporal frequency. Here we build on previous work and...

  7. Spatiotemporal Variation in Surface Urban Heat Island Intensity and Associated Determinants across Major Chinese Cities

    Directory of Open Access Journals (Sweden)

    Juan Wang

    2015-03-01

    Full Text Available Urban heat islands (UHIs created through urbanization can have negative impacts on the lives of people living in cities. They may also vary spatially and temporally over a city. There is, thus, a need for greater understanding of these patterns and their causes. While previous UHI studies focused on only a few cities and/or several explanatory variables, this research provides a comprehensive and comparative characterization of the diurnal and seasonal variation in surface UHI intensities (SUHIIs across 67 major Chinese cities. The factors associated with the SUHII were assessed by considering a variety of related social, economic and natural factors using a regression tree model. Obvious seasonal variation was observed for the daytime SUHII, and the diurnal variation in SUHII varied seasonally across China. Interestingly, the SUHII varied significantly in character between northern and southern China. Southern China experienced more intense daytime SUHIIs, while the opposite was true for nighttime SUHIIs. Vegetation had the greatest effect in the day time in northern China. In southern China, annual electricity consumption and the number of public buses were found to be important. These results have important theoretical significance and may be of use to mitigate UHI effects.

  8. An assessment of surface emissivity variation effects on plasma uniformity analysis using IR cameras

    Science.gov (United States)

    Greenhalgh, Abigail; Showers, Melissa; Biewer, Theodore

    2017-10-01

    The Prototype-Material Plasma Exposure eXperiment (Proto-MPEX) is a linear plasma device operating at Oak Ridge National Laboratory (ORNL). Its purpose is to test plasma source and heating concepts for the planned Material Plasma Exposure eXperiment (MPEX), which has the mission to test the plasma-material interactions under fusion reactor conditions. In this device material targets will be exposed to high heat fluxes (>10 MW/m2). To characterize the heat fluxes to the target a IR thermography system is used taking up to 432 frames per second videos. The data is analyzed to determine the surface temperature on the target in specific regions of interest. The IR analysis has indicated a low level of plasma uniformity; the plasma often deposits more heat to the edge of the plate than the center. An essential parameter for IR temperature calculation is the surface emissivity of the plate (stainless steel). A study has been performed to characterize the variation in the surface emissivity of the plate as its temperature changes and its surface finish is modified by plasma exposure.

  9. Potential energy surface for ? dissociation including spin-orbit effects

    Science.gov (United States)

    Siebert, Matthew R.; Aquino, Adelia J. A.; de Jong, Wibe A.; Granucci, Giovanni; Hase, William L.

    2012-10-01

    Previous experiments [J. Phys. Chem. A 116, 2833 (2012)] have studied the dissociation of 1,2-diiodoethane radical cation ( ? ) and found a one-dimensional distribution of translational energy, an odd finding considering most product relative translational energy distributions are two-dimensional. The goal of this study is to obtain an accurate understanding of the potential energy surface (PES) topology for the unimolecular decomposition reaction ? → C2H4I+ + I•. This is done through comparison of many single-reference electronic structure methods, coupled-cluster single-point (energy) calculations, and multi-reference energy calculations used to quantify spin-orbit (SO) coupling effects. We find that the structure of the ? reactant has a substantial effect on the role of the SO coupling on the reaction energy. Both the BHandH and MP2 theories with an ECP/6-31++G** basis set, and without SO coupling corrections, provide accurate models for the reaction energetics. MP2 theory gives an unsymmetric structure with different C-I bond lengths, resulting in a SO energy for ? similar to that for the product I-atom and a negligible SO correction to the reaction energy. In contrast, DFT gives a symmetric structure for ? , similar to that of the neutral C2H4I2 parent, resulting in a substantial SO correction and increasing the reaction energy by 6.0-6.5 kcalmol-1. Also, we find that, for this system, coupled-cluster single-point energy calculations are inaccurate, since a small change in geometry can lead to a large change in energy.

  10. Contributions to the geomagnetic secular variation from a reanalysis of core surface dynamics

    Science.gov (United States)

    Barrois, O.; Gillet, N.; Aubert, J.

    2017-10-01

    We invert for motions at the surface of Earth's core under spatial and temporal constraints that depart from the mathematical smoothings usually employed to ensure spectral convergence of the flow solutions. Our spatial constraints are derived from geodynamo simulations. The model is advected in time using stochastic differential equations coherent with the occurrence of geomagnetic jerks. Together with a Kalman filter, these spatial and temporal constraints enable the estimation of core flows as a function of length and time-scales. From synthetic experiments, we find it crucial to account for subgrid errors to obtain an unbiased reconstruction. This is achieved through an augmented state approach. We show that a significant contribution from diffusion to the geomagnetic secular variation should be considered even on short periods, because diffusion is dynamically related to the rapidly changing flow below the core surface. Our method, applied to geophysical observations over the period 1950-2015, gives access to reasonable solutions in terms of misfit to the data. We highlight an important signature of diffusion in the Eastern equatorial area, where the eccentric westward gyre reaches low latitudes, in relation with important up/downwellings. Our results also confirm that the dipole decay, observed over the past decades, is primarily driven by advection processes. Our method allows us to provide probability densities for forecasts of the core flow and the secular variation.

  11. Spatiotemporal variation of surface shortwave forcing from fire-induced albedo change in interior Alaska

    Science.gov (United States)

    Huang, Shengli; Dahal, Devendra; Liu, Heping; Jin, Suming; Young, Claudia J.; Liu, Shuang; Liu, Shu-Guang

    2015-01-01

    The albedo change caused by both fires and subsequent succession is spatially heterogeneous, leading to the need to assess the spatiotemporal variation of surface shortwave forcing (SSF) as a component to quantify the climate impacts of high-latitude fires. We used an image reconstruction approach to compare postfire albedo with the albedo assuming fires had not occurred. Combining the fire-caused albedo change from the 2001-2010 fires in interior Alaska and the monthly surface incoming solar radiation, we examined the spatiotemporal variation of SSF in the early successional stage of around 10 years. Our results showed that while postfire albedo generally increased in fall, winter, and spring, some burned areas could show an albedo decrease during these seasons. In summer, the albedo increased for several years and then declined again. The spring SSF distribution did not show a latitudinal decrease from south to north as previously reported. The results also indicated that although the SSF is usually largely negative in the early successional years, it may not be significant during the first postfire year. The annual 2005-2010 SSF for the 2004 fire scars was -1.30, -4.40, -3.31, -4.00, -3.42, and -2.47 Wm-2. The integrated annual SSF map showed significant spatial variation with a mean of -3.15 Wm-2 and a standard deviation of 3.26 Wm-2, 16% of burned areas having positive SSF. Our results suggest that boreal deciduous fires would be less positive for climate change than boreal evergreen fires. Future research is needed to comprehensively investigate the spatiotemporal radiative and non-radiative forcings to determine the effect of boreal fires on climate.

  12. Seasonal Variations of the Surface Urban Heat Island in a Semi-Arid City

    Directory of Open Access Journals (Sweden)

    Sirous Haashemi

    2016-04-01

    Full Text Available The process of the surface urban heat island (SUHI varies with latitude, climate, topography and meteorological conditions. This study investigated the seasonal variability of SUHI in the Tehran metropolitan area, Iran, with respect to selected surface biophysical variables. Terra Moderate Resolution Imaging Spectroradiometer (MODIS Land Surface Temperature (LST was retrieved as nighttime LST data, while daytime LST was retrieved from Landsat 8 Thermal Infrared Sensor (TIRS using the split-window algorithm. Both data covered the time period from September 2013 to September 2015. To assess SUHI intensity, we employed three SUHI indicators, i.e., the LST difference of urban-rural, that of urban-agriculture and that of urban-water. Physical and biophysical surface variables, including land use and land cover (LULC, elevation, impervious surface (IS, fractional vegetation cover (FVC and albedo, were selected to estimate the relationship between LST seasonal variability and the surface properties. Results show that an inversion of the SUHI phenomenon (i.e., surface urban cool island existed at daytime with the maximal value of urban-rural LST difference of −4 K in March; whereas the maximal value of SUHI at nighttime yielded 3.9 K in May. When using the indicators of urban-agriculture and urban-water LST differences, the maximal value of SUHI was found to be 8.2 K and 15.5 K, respectively. Both results were observed at daytime, suggesting the role of bare soils in the inversion of the SUHI phenomenon with the urban-rural indicator. Maximal correlation was observed in the relationship between night LST and elevation in spring (coefficient: −0.76, night LST and IS in spring (0.60, night LST and albedo in winter (−0.53 and day LST with fractional vegetation cover in summer (−0.41. The relationship between all surface properties with LST possessed large seasonal variations, and thus, using these relationships for SUHI modeling may not be

  13. Ab initio potential energy surface and vibration-rotation energy levels of beryllium monohydroxide.

    Science.gov (United States)

    Koput, Jacek

    2017-01-05

    The accurate potential energy surface of beryllium monohydroxide, BeOH, in its ground electronic state X 2A' has been determined from ab initio calculations using the coupled-cluster approach in conjunction with the correlation-consistent core-valence basis sets up to septuple-zeta quality. The higher-order electron correlation, scalar relativistic, and adiabatic effects were taken into account. The BeOH molecule was confirmed to be bent at equilibrium, with the BeOH angle of 141.2° and the barrier to linearity of 129 cm -1 . The vibration-rotation energy levels of the BeOH and BeOD isotopologues were predicted using a variational approach and compared with recent experimental data. The results can be useful in a further analysis of high-resolution vibration-rotation spectra of these interesting species. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  14. Ab initio potential energy surface and vibration-rotation energy levels of sulfur dioxide.

    Science.gov (United States)

    Koput, Jacek

    2017-05-05

    An accurate potential energy surface of sulfur dioxide, SO 2 , in its ground electronic state X∼ 1A1 has been determined from ab initio calculations using the coupled-cluster approach in conjunction with the correlation-consistent basis sets up to septuple-zeta quality. The results obtained with the conventional and explicitly correlated coupled-cluster methods are compared. The role of the core-electron correlation, higher-order valence-electron correlation, scalar relativistic, and adiabatic effects in determining the structure and dynamics of the SO 2 molecule is discussed. The vibration-rotation energy levels of the 32 SO 2 and 34 SO 2 isotopologues were predicted using a variational approach. It was shown that the inclusion of the aforementioned effects was mandatory to attain the "spectroscopic" accuracy. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  15. Surface grafted polymer brushes: potential applications in dengue biosensors

    International Nuclear Information System (INIS)

    Baratela, Fernando Jose Costa; Higa, Olga Zazuco; Faria, Henrique Antonio Mendonca de; Queiroz, Alvaro Antonio Alencar de

    2013-01-01

    A polymer brush membrane-based ultrasensitive biosensor for dengue diagnosis was constructed using poly(hydroxyethyl methacrylate) (PHEMA) brushes immobilized onto low density polyethylene (LDPE) films. LDPE surface films were initially modified by Ar + ion irradiation to activate the polymer surface. Subsequently, graft polymerization of 2-hydroxyethyl methacrylate onto the activated LDPE surface was carried out under aqueous conditions to create patterned polymer brushes of PHEMA. The grafted PHEMA brushes were characterized by Fourier transform-infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) and contact angle analysis. The SEM observations showed that selective surface activation with Ar+ implantation and graft polymerization on the selectively activated surface had occurred. The PHEMA brushes were electrically characterized in the presence of concentrations of human immunoglobulin (IgG). The proposed amperometric biosensor was successfully used for determination of IgG in physiologic samples with excellent responses. (author)

  16. Surface grafted polymer brushes: potential applications in dengue biosensors

    Energy Technology Data Exchange (ETDEWEB)

    Baratela, Fernando Jose Costa; Higa, Olga Zazuco, E-mail: ozahiga@ipen.br [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Faria, Henrique Antonio Mendonca de; Queiroz, Alvaro Antonio Alencar de, E-mail: alencar@unifei.edu.br [Universidade Federal de Itajuba (UNIFEI), Itajuba, MG (Brazil). Instituto de Fisica e Quimica

    2013-07-01

    A polymer brush membrane-based ultrasensitive biosensor for dengue diagnosis was constructed using poly(hydroxyethyl methacrylate) (PHEMA) brushes immobilized onto low density polyethylene (LDPE) films. LDPE surface films were initially modified by Ar{sup +} ion irradiation to activate the polymer surface. Subsequently, graft polymerization of 2-hydroxyethyl methacrylate onto the activated LDPE surface was carried out under aqueous conditions to create patterned polymer brushes of PHEMA. The grafted PHEMA brushes were characterized by Fourier transform-infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM) and contact angle analysis. The SEM observations showed that selective surface activation with Ar+ implantation and graft polymerization on the selectively activated surface had occurred. The PHEMA brushes were electrically characterized in the presence of concentrations of human immunoglobulin (IgG). The proposed amperometric biosensor was successfully used for determination of IgG in physiologic samples with excellent responses. (author)

  17. Morphological variation in salamanders and their potential response to climate change

    Science.gov (United States)

    Ficetola, Gentile Francesco; Colleoni, Emiliano; Renaud, Julien; Scali, Stefano; Padoa-Schioppa, Emilio; Thuiller, Wilfried

    2016-01-01

    Despite the recognition that some species might quickly adapt to new conditions under climate change, demonstrating and predicting such a fundamental response is challenging. Morphological variations in response to climate may be caused by evolutionary changes or phenotypic plasticity, or both, but teasing apart these processes is difficult. Here we built on the number of thoracic vertebrae (NTV) in ectothermic vertebrates, a known genetically-based feature, to establish a link with body size and evaluate how climate change might affect the future morphological response of this group of species. First we show that in old-world salamanders, NTV variation is strongly related to changes in body size. Secondly, using 22 salamander species as a case study, we found support for relationships between the spatial variation in selected bioclimatic variables and NTV for most of species. For 44% of species, precipitation and aridity were the predominant drivers of geographical variation of the NTV. Temperature features were dominant for 31% of species, while for 19% temperature and precipitation played a comparable role. This two-step analysis demonstrates that ectothermic vertebrates may evolve in response to climate change by modifying the number of thoracic vertebrae. These findings allow to develop scenarios for potential morphological evolution under future climate change, and to identify areas and species in which the most marked evolutionary responses are expected. Resistance to climate change estimated from species distribution models was positively related to present-day species morphological response, suggesting that the ability of morphological evolution may play a role for species’ persistence under climate change. The possibility that present-day capacity for local adaptation might help the resistance response to climate change can be integrated into analyses of the impact of global changes, and should also be considered when planning management actions

  18. Glucocorticoids in Fish Eggs: Variation, Interactions with the Environment, and the Potential to Shape Offspring Fitness.

    Science.gov (United States)

    Sopinka, N M; Capelle, P M; Semeniuk, C A D; Love, O P

    Wild and captive vertebrates face multiple stressors that all have the potential to induce chronic maternal stress (i.e., sustained, elevated plasma glucocorticoids), resulting in embryo exposure to elevated maternally derived glucocorticoids. In oviparous taxa such as fish, maternally derived glucocorticoids in eggs are known for their capacity to shape offspring phenotype. Using a variety of methodologies, scientists have quantified maternally derived levels of egg cortisol, the primary glucocorticoid in fishes, and examined the cascading effects of egg cortisol on progeny phenotype. Here we summarize and interpret the current state of knowledge on egg cortisol in fishes and the relationships linking maternal stress/state to egg cortisol and offspring phenotype/fitness. Considerable variation in levels of egg cortisol exists across species and among females within a species; this variation is hypothesized to be due to interspecific differences in reproductive life history and intraspecific differences in female condition. Outcomes of experimental studies manipulating egg cortisol vary both inter- and intraspecifically. Moreover, while exogenous elevation of egg cortisol (as a proxy for maternal stress) induces phenotypic changes commonly considered to be maladaptive (e.g., smaller offspring size), emerging work in other taxa suggests that there can be positive effects on fitness when the offspring's environment is taken into account. Investigations into (i) mechanisms by which egg cortisol elicits phenotypic change in offspring (e.g., epigenetics), (ii) maternal and offspring buffering capacity of cortisol, and (iii) factors driving natural variation in egg cortisol and how this variation affects offspring phenotype and fitness are all germane to discussions on egg glucocorticoids as signals of maternal stress.

  19. Renewable Energy Potentials along the Bay of Bengal due to Tidal Water Level Variation

    Directory of Open Access Journals (Sweden)

    Ahmad Myisha

    2018-01-01

    Full Text Available The projected increase in energy demand coupled with concerns regarding present reliance on fossil fuel and associated environmental concerns had led to increased interest in exploiting renewable energy sources. Among different renewable energy sources, tidal energy is unique and most suitable because of its predictable nature and capability to ensure supply security. Tide consists of both kinetic and potential energy which can be converted to electricity using well-proven technology. The potential energy of tides - the principal focus of the study, is stored due to rise and fall of the sea level. Head difference created due to tidal variation between basin side and sea side of a barrage stores potential energy which is converted into fast-moving water that rotates turbine and generates electricity. Bangladesh with its long coastline has promising prospects of tidal energy resource development. The study focuses on tidal energy resource exploration and exploitation along several competent locations of the Bengal coastline. Tidal records of flood and ebb tide of these locations are analyzed to calculate the potential energy. Finally, available potential techniques of energy extraction are evaluated for annually generated energy estimation. This study investigates the prospect and utilization of tidal energy concept and reviews the possibilities and opportunities of employment of the technology for sustainable development and climate change mitigation in context of Bangladesh.

  20. Preanalytical and analytical variation of surface-enhanced laser desorption-ionization time-of-flight mass spectrometry of human serum

    DEFF Research Database (Denmark)

    Albrethsen, Jakob; Bøgebo, Rikke; Olsen, Jesper

    2006-01-01

    BACKGROUND: Surface-enhanced laser desorption-ionization time-of-flight (SELDI-TOF) mass spectrometry of human serum is a potential diagnostic tool in human diseases. In the present study, the preanalytical and analytical variation of SELDI-TOF mass spectrometry of serum was assessed in healthy...... was 18% (6%-34%, n=4) for 16 peaks, and inter-individual CV was 38% (16%-56%, n=16) for 20 peaks. CONCLUSIONS: The pre-analytical and analytical conditions of SELDI-TOF mass spectrometry of serum have a significant impact on the protein peaks, with the number of peaks low and the assay variation high...

  1. Mediation of rapid electrical, metabolic, transpirational, and photosynthetic changes by factors released from wounds. I. variation potentials and putative action potentials in intact plants

    Science.gov (United States)

    S.J. Barres; T.J.Sambeek Perry; Barbara G. Pickard

    1976-01-01

    Damaging representative plants from five angiosperm families by heating or crushing a small portion of a single leaf results in an electrical change which may spread throughout the shoot. In Mimosa similar changes have previously been identified as variation potentials.Except in one of the five plants, a variation...

  2. Seasonal Variation in Flocculation Potential of River Water: Roles of the Organic Matter Pool

    Directory of Open Access Journals (Sweden)

    Byung Joon Lee

    2017-05-01

    Full Text Available Organic matter in the water environment can enhance either flocculation or stabilization and, thus, controls the fate and transportation of cohesive sediments and causes seasonal variation in the turbidity of river water, determining floc morphology and settling velocity. The aim of this study was to elucidate the way that biological factors change the organic matter composition and enhances either flocculation or stabilization in different seasons. Jar test experiments were performed using a mixture of standard kaolinite and the filtered river water samples collected (bi-weekly or monthly from April to December 2015 upstream a constructed weir in Nakdong River, to estimate the flocculation potential of the seasonal river water samples. Chlorophyll-a concentration, algae number concentration, and the fluorescence characteristics of organic matter were used to represent the biological factors. Our results revealed that flocculation potential depended not only on the algal population dynamics, but also the origins (or chemical composition of organic matter in the river water. Extracellular polymeric substances (EPS, as algal organic matter, enhanced flocculation, while humic substances (HS, as terrestrial organic matter, enhanced stabilization, rather than flocculation. Since flocculation potential reached its maximum around the peaks of algal population, algae-produced EPS likely enhanced flocculation by binding sediment particles in the flocs. This observation supports previous findings of seasonal variation in EPS production and EPS-mediated flocculation. However, when HS was transported from the surrounding basin by a heavy rainfall event, cohesive sediments tended to be rather stabilized. Supplementary flocculation potential tests, which were performed with artificial water containing refined EPS and HS, also showed the opposing effects of EPS and HS.

  3. The variations of human sex ratio at birth during and after wars, and their potential explanations.

    Science.gov (United States)

    James, William H

    2009-03-07

    Data on wartime sex ratios (proportions male at birth) are reviewed. Two sorts of variation are empirically well supported viz. (a) rises during and just after both World Wars and (b) a fall in Iran during the Iran-Iraq War. Potential explanations are offered here for these rises and fall. The fall seems plausibly explained by psychological stress causing pregnant women disproportionately to abort male fetuses. The rises may be explained by either or both of two different forms of hypothesis viz. (i) Kanazawa's "returning soldier" hypothesis and (ii) variation in coital rates. The coital rate hypothesis potentially accounts, in slightly different ways, for the rises both during, and just after, some wars. The argument that coital rate affects sex ratio just after wars seems to be supported by evidence that in some combatant countries, dizygotic (DZ) twinning rates (which also reportedly vary with coital rate) peaked after the World Wars. The suggestion that war is associated with rises in sex ratio at birth was first made more than two centuries ago. However, I have been unable to locate direct supporting sex ratio data relating to any conflict before World War One. So it would be useful if historical demographers were to search for such data relating to these earlier wars.

  4. Geometrical treatment of non-potential interactions: the exterior variational calculus, dynamical systems, physical 1-forms and variational selfadjointness

    International Nuclear Information System (INIS)

    Trostel, R.

    1982-01-01

    A mathematical objective of this paper is to provide geometrical formulation of the integrability conditions for the existence of an action functional, that is, to provide a geometrical counterpart (similar to that by Abraham, Marsden, and Hughes) of the variational and functional approach to self-adjointness. This objective is achieved via the exterior variational calculus, an exterior differential calculus on the vector space of functions depending on time or space time, using from the outset extensively the concept of functional differentiation as its foundation. Variational self-adjointness equals the variational closure of the physical 1-form, the vanishing of a generalized curl-operation applied to the equations of motion. The convenience of this more formal approach is demonstrated, not only when deriving the conditions of variational self-adjointness for materials of differential type of arbitrary order (particles or fields), using roughly no more than Dirac's delta-distributions, but also when treating materials of a broader class (including causal and acausal constitutive functionals, materials of rate type, integral type, etc.). A physical objective of this paper is achieved by pointing out that, as physics is primarily concerned with the solutions of the evolution equations, i.e., with the set of the zero points of the physical 1-form, an equivalence relation among the physical 1-forms on the infinite dimensional vector space of functions is constructed by leaving the set of their zero points unchanged. Using this result, a direct Lagrangian universality is indicated and an almost one presented. Moreover, all physical 1-forms connected by invertible supermatrices (thus mixing the evolution law of different times or space-time) are equivalent. Choosing these supermatrices to be diagonal in time or space-time yields the indirect analytical representation factors

  5. Revealing textural variations at the groundwater-surface water interface using induced polarisation techniques

    Science.gov (United States)

    McLachlan, P.; Binley, A. M.; Chambers, J. E.

    2016-12-01

    The groundwater-surface water (GW-SW) interface actively governs the transfer of water, nutrients and contaminants between groundwater systems and surface water environments. It is capable of mitigating environmental pollution by attenuating and transforming contaminants transported by groundwater discharging to the surface or by surface water recharging to the subsurface. The ability of the GW-SW interface to mitigate pollution is linked to its hydrological and physiochemical properties, the presence of grain surfaces, and its consequent ability to host diverse microbial populations. Despite its importance, characterising the GW-SW interface remains a challenge as traditional methods are often intrusive, environmentally damaging or labour intensive and so they often provide spatially sparse, or spatially restricted, information. There is therefore a requirement for methods which can provide information about the GW-SW interface at high spatial resolution and over large areas. In recent years there has been increased interest in using induced polarisation in field based exploration to characterise grain surface properties of unconsolidated geological materials. Induced polarisation may offer the potential to interrogate textural properties of the GW-SW interface, such as cation exchange and grain surface area which are important for determining the biogeochemical properties of the subsurface. Here we demonstrate the ability of induced polarisation measurements to reveal contrasts in the textural properties of two sites on a 200 m river meander (River Leith, Cumbria, UK). Previous work has revealed that both sites are distinctive in terms of their hydrology, fluvial deposits and biogeochemistry. We present in-stream induced polarisation measurements in addition to lab based measurements of induced polarisation, cation exchange capacity, grain size distribution and surface area on samples obtained from drilling.

  6. Discharge estimation in ungauged basins through variational data assimilation : The potential of the SWOT mission.

    Science.gov (United States)

    Oubanas, H.; Gejadze, I.; Malaterre, P. O.; Durand, M. T.; Wei, R.; Frasson, R. P. M.; Domeneghetti, A.

    2017-12-01

    This work investigates the estimation of river discharge from simulated observations of the forthcoming Surface Water and Ocean Topography (SWOT) mission, to be launched in 2021, using a variant of the standard variational data assimilation method `4D-Var'. The hydrology SWOT simulator, developed at the Jet Propulsion Laboratory (JPL) has been used to simulate the expected performance of the KaRIn instrument onboard the satellite, producing synthetic SWOT observations of height and width, at each satellite overpass. SWOT data products were synthesized at the spatial scale of 200 m along the river centerline. Using a 1.5D full Saint-Venant hydraulic model, variational data assimilation simultaneously estimates the inflow discharge, river bathymetry and bed roughness. The proposed method has been designed for an application to fully ungauged basins; therefore, the prior information is derived from the SWOT observations only and the globally available ancillary information. Two reaches of the Po and Sacramento Rivers of about 130 km and 150 km, respectively, have been considered in this study. Discharge was successfully recovered at the overpass time with a relative-root-mean-square error of 16% and 12.3% for the Po and Sacramento Rivers, respectively. The estimates of the bed level and the roughness coefficient demonstrate a local improvement; however they may not provide reliable global information of the river bathymetry and roughness.

  7. Candida albicans CUG Mistranslation Is a Mechanism To Create Cell Surface Variation

    OpenAIRE

    Miranda, Isabel; Silva-Dias, Ana; Rocha, Rita; Teixeira-Santos, Rita; Coelho, Carolina; Gon?alves, Teresa; Santos, Manuel A. S.; Pina-Vaz, Cid?lia; Solis, Norma V.; Filler, Scott G.; Rodrigues, Ac?cio G.

    2013-01-01

    ABSTRACT In the human fungal pathogen Candida albicans, the CUG codon is translated 97% of the time as serine and 3% of the time as leucine, which potentially originates an array of proteins resulting from the translation of a single gene. Genes encoding cell surface proteins are enriched in CUG codons; thus, CUG mistranslation may influence the interactions of the organism with the host. To investigate this, we compared a C.?albicans strain that misincorporates 28% of leucine at CUGs with a ...

  8. Surface Temperature Variation Prediction Model Using Real-Time Weather Forecasts

    Science.gov (United States)

    Karimi, M.; Vant-Hull, B.; Nazari, R.; Khanbilvardi, R.

    2015-12-01

    Combination of climate change and urbanization are heating up cities and putting the lives of millions of people in danger. More than half of the world's total population resides in cities and urban centers. Cities are experiencing urban Heat Island (UHI) effect. Hotter days are associated with serious health impacts, heart attaches and respiratory and cardiovascular diseases. Densely populated cities like Manhattan, New York can be affected by UHI impact much more than less populated cities. Even though many studies have been focused on the impact of UHI and temperature changes between urban and rural air temperature, not many look at the temperature variations within a city. These studies mostly use remote sensing data or typical measurements collected by local meteorological station networks. Local meteorological measurements only have local coverage and cannot be used to study the impact of UHI in a city and remote sensing data such as MODIS, LANDSAT and ASTER have with very low resolution which cannot be used for the purpose of this study. Therefore, predicting surface temperature in urban cities using weather data can be useful.Three months of Field campaign in Manhattan were used to measure spatial and temporal temperature variations within an urban setting by placing 10 fixed sensors deployed to measure temperature, relative humidity and sunlight. Fixed instrument shelters containing relative humidity, temperature and illumination sensors were mounted on lampposts in ten different locations in Manhattan (Vant-Hull et al, 2014). The shelters were fixed 3-4 meters above the ground for the period of three months from June 23 to September 20th of 2013 making measurements with the interval of 3 minutes. These high resolution temperature measurements and three months of weather data were used to predict temperature variability from weather forecasts. This study shows that the amplitude of spatial and temporal variation in temperature for each day can be predicted

  9. Wegner Estimates for Some Random Operators with Anderson-type Surface Potentials

    Science.gov (United States)

    Kitagaki, Yoshihiko

    2010-03-01

    For Schrödinger operator with random potentials concentrated near a surface, Wegner-type estimates are proven by using the spectral averaging method of Combes, Hislop and Klopp. These estimates allow us to show the local regularity of the integrated density of surface states at the gap of the background periodic operator. Acoustic operator with random surface potentials is treated similarly.

  10. Frost behavior of a fin surface with temperature variation along heat exchanger fins

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jung Soo; Kim, Min Soo; Lee, Kwan Soo [Hanyang Univ., Seoul (Korea, Republic of); Kim, Ook Joong [Korea Institute of Machinery and Materials, Daejeon (Korea, Republic of)

    2007-07-01

    This paper presents a mathematical model for predicting the frost behavior formed on heat exchanger fins, considering fin heat conduction under frosting condition. The model is composed of air-side, the frost layer, and fin region, and they are coupled to the frost layer. The frost behavior is more accurately predicted with fin heat conduction considered (Case A) than with a constant fin surface temperature assumed (Case B). The results indicate that the frost thickness and heat transfer rate for Case B are over-predicted in most regions of the fin, as compared to those for Case A. Also, for Case A, the maximum frost thickness varies little with the fin length variations, and the extension of the fin length over 30 mm contributes insignificantly to heat transfer.

  11. Variational analysis for simulating free-surface flows in a porous medium

    Directory of Open Access Journals (Sweden)

    Shabbir Ahmed

    2003-01-01

    is used to obtain a discrete form of equations for a two-dimensional domain. The matrix characteristics and the stability criteria have been investigated to develop a stable numerical algorithm for solving the governing equation. A computer programme has been written to solve a symmetric positive definite system obtained from the variational finite element analysis. The system of equations is solved using the conjugate gradient method. The solution generates time-varying hydraulic heads in the subsurface. The interfacing free surface between the unsaturated and saturated zones in the variably saturated domain is located, based on the computed hydraulic heads. Example problems are investigated. The finite element solutions are compared with the exact solutions for the example problems. The numerical characteristics of the finite element solution method are also investigated using the example problems.

  12. Patterns of morphological variation in enamel-dentin junction and outer enamel surface of human molars.

    Science.gov (United States)

    Morita, Wataru; Yano, Wataru; Nagaoka, Tomohito; Abe, Mikiko; Ohshima, Hayato; Nakatsukasa, Masato

    2014-06-01

    Tooth crown patterning is governed by the growth and folding of the inner enamel epithelium (IEE) and the following enamel deposition forms outer enamel surface (OES). We hypothesized that overall dental crown shape and covariation structure are determined by processes that configurate shape at the enamel-dentine junction (EDJ), the developmental vestige of IEE. This this hypothesis was tested by comparing patterns of morphological variation between EDJ and OES in human permanent maxillary first molar (UM1) and deciduous second molar (um2). Using geometric morphometric methods, we described morphological variation and covariation between EDJ and OES, and evaluated the strength of two components of phenotypic variability, canalization and morphological integration, in addition to the relevant evolutionary flexibility, i.e. the ability to respond to selective pressure. The strength of covariation between EDJ and OES was greater in um2 than in UM1, and the way that multiple traits covary between EDJ and OES was different between these teeth. The variability analyses showed that EDJ had less shape variation and a higher level of morphological integration than OES, which indicated that canalization and morphological integration acted as developmental constraints. These tendencies were greater in UM1 than in um2. On the other hand, EDJ and OES had a comparable level of evolvability in these teeth. Amelogenesis could play a significant role in tooth shape and covariation structure, and its influence was not constant among teeth, which may be responsible for the differences in the rate and/or period of enamel formation. © 2014 Anatomical Society.

  13. Three-dimensional shape variation of talar surface morphology in hominoid primates.

    Science.gov (United States)

    Parr, W C H; Soligo, C; Smaers, J; Chatterjee, H J; Ruto, A; Cornish, L; Wroe, S

    2014-07-01

    The hominoid foot is of particular interest to biological anthropologists, as changes in its anatomy through time reflect the adoption of terrestrial locomotion, particularly in species of Australopithecus and Homo. Understanding the osteological morphology associated with changes in whole foot function and the development of the plantar medial longitudinal foot arch are key to understanding the transition through habitual bipedalism in australopithecines to obligate bipedalism and long-distance running in Homo. The talus is ideal for studying relationships between morphology and function in this context, as it is a major contributor to the adduction-abduction, plantar-dorsal flexion and inversion-eversion of the foot, and transmits all forces encountered from the foot to the leg. The talar surface is predominantly covered by articular facets, which have different quantifiable morphological characters, including surface area, surface curvature and orientation. The talus also presents challenges to the investigator, as its globular shape is very difficult to quantify accurately and reproducibly. Here we apply a three-dimensional approach using type 3 landmarks (slid semilandmarks) that are geometrically homologous to determine overall talar shape variations in a range of living and fossil hominoid taxa. Additionally, we use novel approaches to quantify the relative orientations and curvatures of talar articular facets by determining the principal vectors of facet orientation and fitting spheres to articular facets. The resulting metrics are analysed using phylogenetic regressions and principal components analyses. Our results suggest that articular surface curvatures reflect locomotor specialisations with, in particular, orangutans having more highly curved facets in all but the calcaneal facet. Similarly, our approach to quantifying articular facet orientation appears to be effective in discriminating between extant hominoid species, and may therefore provide a

  14. Interannual Variation of the Surface Temperature of Tropical Forests from Satellite Observations

    Directory of Open Access Journals (Sweden)

    Huilin Gao

    2016-01-01

    Full Text Available Land surface temperatures (LSTs within tropical forests contribute to climate variations. However, observational data are very limited in such regions. This study used passive microwave remote sensing data from the Special Sensor Microwave/Imager (SSM/I and the Special Sensor Microwave Imager Sounder (SSMIS, providing observations under all weather conditions, to investigate the LST over the Amazon and Congo rainforests. The SSM/I and SSMIS data were collected from 1996 to 2012. The morning and afternoon observations from passive microwave remote sensing facilitate the investigation of the interannual changes of LST anomalies on a diurnal basis. As a result of the variability of cloud cover and the corresponding reduction of solar radiation, the afternoon LST anomalies tend to vary more than the morning LST anomalies. The dominant spatial and temporal patterns for interseasonal variations of the LST anomalies over the tropical rainforest were analyzed. The impacts of droughts and El Niños on this LST were also investigated. Differences between early morning and late afternoon LST anomalies were identified by the remote sensing product, with the morning LST anomalies controlled by humidity (according to comparisons with the National Centers for Environmental Prediction (NCEP reanalysis data.

  15. Seasonal variation in aragonite saturation in surface waters of Puget Sound – a pilot study

    Directory of Open Access Journals (Sweden)

    Gregory Pelletier

    2018-01-01

    Full Text Available A pilot study of sampling, using monthly marine flights over spatially distributed stations, was conducted with the aim to characterize the carbonate system in Puget Sound over a full year-long period. Surface waters of Puget Sound were found to be under-saturated with respect to aragonite during October–March, and super-saturated during April–September. Highest pCO2 and lowest pH occurred during the corrosive October–March period. Lowest pCO2 and highest pH occurred during the super-saturated April–September period. The monthly variations in pCO2 , pH, and aragonite saturation state closely followed the variations in monthly average chlorophyll a. Super-saturated conditions during April–September are likely strongly influenced by photosynthetic uptake of CO2 during the phytoplankton growing season. The relationship between phytoplankton production, the carbonate system, and aragonite saturation state suggests that long-term trends in eutrophication processes may contribute to trends in ocean acidification in Puget Sound

  16. Distribution and temporal variation of trace metal enrichment in surface sediments of San Jorge Bay, Chile.

    Science.gov (United States)

    Valdés, Jorge; Román, Domingo; Guiñez, Marcos; Rivera, Lidia; Morales, Tatiana; Morales, Tomás; Avila, Juan; Cortés, Pedro

    2010-08-01

    Cu, Pb, and Hg concentrations were determined in surface sediment samples collected at three sites in San Jorge Bay, northern Chile. This study aims to evaluate differences in their spatial distribution and temporal variability. The highest metal concentrations were found at the site "Puerto", where minerals (Cu and Pb) have been loaded for more than 60 years. On the other hand, Hg does not pose a contamination problem in this bay. Cu and Pb concentrations showed significant variations from 1 year to another. These variations seem to be a consequence of the combination of several factors, including changes in the loading and/or storage of minerals in San Jorge Bay, the dredging of bottom sediments (especially at Puerto), and seasonal changes in physical-chemical properties of the water column that modify the exchange of metals at the sediment-water interface. Differences in the contamination factor and geoaccumulation index suggest that pre-industrial concentrations measured in marine sediments of this geographical zone, were better than geological values (average shale, continental crust average) for evaluating the degree of contamination in this coastal system. Based on these last two indexes, San Jorge Bay has a serious problem of Cu and Pb pollution at the three sampling locations. However, only Cu exceeds the national maximum values used to evaluate ecological risk and the health of marine environments. It is suggested that Chilean environmental legislation for marine sediment quality--presently under technical discussion--is not an efficient tool for protecting the marine ecosystem.

  17. Effects of Viscosity Variation and Surface Roughness on the Couple stress Squeeze Film Characteristics of Short Journal Bearings

    Directory of Open Access Journals (Sweden)

    G.H. Ayyappa

    2015-03-01

    Full Text Available The theoretical analysis of the combined effects of surface roughness and viscosity variation on the couple stress squeeze film characteristics of short journal bearings is presented. The modified stochastic Reynold’s equation accounting for the viscosity variation of couple stresses fluid and randomized surface roughness structure on bearing surface is mathematically derived using the Christensen stochastic theory. It is observed that, the transverse roughness pattern improves the squeeze film characteristics whereas the bearing performance is affected due to the presence of one dimensional longitudinal surface roughness. Further, it is observed that, the effect of viscosity variation is to reduce the load carrying capacity and squeeze film time as compared to the case of constant viscosity.

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

    International Nuclear Information System (INIS)

    Nir, Dror.

    1993-03-01

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

  19. Investigating the time-dependent zeta potential of wood surfaces.

    Science.gov (United States)

    Muff, Livius F; Luxbacher, Thomas; Burgert, Ingo; Michen, Benjamin

    2018-05-15

    This work reports on streaming potential measurements through natural capillaries in wood and investigates the cause of a time-dependent zeta potential measured during the equilibration of wood cell-walls with an electrolyte solution. For the biomaterial, this equilibration phase takes several hours, which is much longer than for many other materials that have been characterized by electrokinetic measurements. During this equilibration phase the zeta potential magnitude is decaying due to two parallel mechanisms: (i) the swelling of the cell-wall which causes a dimensional change reducing the charge density at the capillary interface; (ii) the transport of ions from the electrolyte solution into the permeable cell-wall which alters the electrical potential at the interface by internal charge compensation. The obtained results demonstrate the importance of equilibration kinetics for an accurate determination of the zeta potential, especially for materials that interact strongly with the measurement electrolyte. Moreover, the change in zeta potential with time can be correlated with the bulk swelling of wood if the effect of electrolyte ion diffusion is excluded. This study shows the potential of streaming potential measurements of wood, and possibly of other hygroscopic and nanoporous materials, to reveal kinetic information about their interaction with liquids, such as swelling and ion uptake. Copyright © 2018 Elsevier Inc. All rights reserved.

  20. Seasonal and latitudinal variations of surface fluxes at two Arctic terrestrial sites

    Science.gov (United States)

    Grachev, Andrey A.; Persson, P. Ola G.; Uttal, Taneil; Akish, Elena A.; Cox, Christopher J.; Morris, Sara M.; Fairall, Christopher W.; Stone, Robert S.; Lesins, Glen; Makshtas, Alexander P.; Repina, Irina A.

    2017-11-01

    This observational study compares seasonal variations of surface fluxes (turbulent, radiative, and soil heat) and other ancillary atmospheric/surface/permafrost data based on in-situ measurements made at terrestrial research observatories located near the coast of the Arctic Ocean. Hourly-averaged multiyear data sets collected at Eureka (Nunavut, Canada) and Tiksi (East Siberia, Russia) are analyzed in more detail to elucidate similarities and differences in the seasonal cycles at these two Arctic stations, which are situated at significantly different latitudes (80.0°N and 71.6°N, respectively). While significant gross similarities exist in the annual cycles of various meteorological parameters and fluxes, the differences in latitude, local topography, cloud cover, snowfall, and soil characteristics produce noticeable differences in fluxes and in the structures of the atmospheric boundary layer and upper soil temperature profiles. An important factor is that even though higher latitude sites (in this case Eureka) generally receive less annual incoming solar radiation but more total daily incoming solar radiation throughout the summer months than lower latitude sites (in this case Tiksi). This leads to a counter-intuitive state where the average active layer (or thaw line) is deeper and the topsoil temperature in midsummer are higher in Eureka which is located almost 10° north of Tiksi. The study further highlights the differences in the seasonal and latitudinal variations of the incoming shortwave and net radiation as well as the moderating cloudiness effects that lead to temporal and spatial differences in the structure of the atmospheric boundary layer and the uppermost ground layer. Specifically the warm season (Arctic summer) is shorter and mid-summer amplitude of the surface fluxes near solar noon is generally less in Eureka than in Tiksi. During the dark Polar night and cold seasons (Arctic winter) when the ground is covered with snow and air temperatures

  1. Estimation of Land Surface Fluxes and Their Uncertainty via Variational Data Assimilation Approach

    Science.gov (United States)

    Abdolghafoorian, A.; Farhadi, L.

    2016-12-01

    Accurate estimation of land surface heat and moisture fluxes as well as root zone soil moisture is crucial in various hydrological, meteorological, and agricultural applications. "In situ" measurements of these fluxes are costly and cannot be readily scaled to large areas relevant to weather and climate studies. Therefore, there is a need for techniques to make quantitative estimates of heat and moisture fluxes using land surface state variables. In this work, we applied a novel approach based on the variational data assimilation (VDA) methodology to estimate land surface fluxes and soil moisture profile from the land surface states. This study accounts for the strong linkage between terrestrial water and energy cycles by coupling the dual source energy balance equation with the water balance equation through the mass flux of evapotranspiration (ET). Heat diffusion and moisture diffusion into the column of soil are adjoined to the cost function as constraints. This coupling results in more accurate prediction of land surface heat and moisture fluxes and consequently soil moisture at multiple depths with high temporal frequency as required in many hydrological, environmental and agricultural applications. One of the key limitations of VDA technique is its tendency to be ill-posed, meaning that a continuum of possibilities exists for different parameters that produce essentially identical measurement-model misfit errors. On the other hand, the value of heat and moisture flux estimation to decision-making processes is limited if reasonable estimates of the corresponding uncertainty are not provided. In order to address these issues, in this research uncertainty analysis will be performed to estimate the uncertainty of retrieved fluxes and root zone soil moisture. The assimilation algorithm is tested with a series of experiments using a synthetic data set generated by the simultaneous heat and water (SHAW) model. We demonstrate the VDA performance by comparing the

  2. Natural abundance variations in stable isotopes and their potential uses in animal physiological ecology.

    Science.gov (United States)

    Gannes, L Z; Martínez del Rio, C; Koch, P

    1998-03-01

    Chemical, biological, and physical processes lead to distinctive "isotopic signatures" in biological materials that allow tracing of the origins of organic substances. Isotopic variation has been extensively used by plant physiological ecologists and by paleontologists, and recently ecologists have adopted the use of stable isotopes to measure ecosystem patterns and processes. To date, animal physiological ecologists have made minimal use of naturally occurring stable isotopes as tracers. Here we provide a review of the current and potential uses of naturally occurring stable isotopes in animal physiological ecology. We outline the physical and biological processes that lead to variation in isotopic abundance in plants and animals. We summarize current uses in animal physiological ecology (diet reconstruction and animal movement patterns), and suggest areas of research where the use of stable isotopes can be fruitful (protein balance and turnover and the allocation of dietary nutrients). We argue that animal physiological ecologists can benefit from including the measurement of naturally occurring stable isotopes in their battery of techniques. We also argue that animal physiologists can make an important contribution to the emerging field of stable isotopes in biology by testing experimentally the plethora of assumptions upon which the techniques rely.

  3. Solar tidal variations of coefficients of second harmonic of gravitational potential of Mercury

    Science.gov (United States)

    Ferrandiz, Jose; Barkin, Yury

    2010-05-01

    Variations of coefficients of the second harmonic of Mercury potential caused by the solar tides have been studied. In the paper we use analytical expressions for tidal variations of Stoks coefficients obtained for model of the elastic celestial body with concentric distributions of masses and elastic parameters (Love numbers) and their reduced form with using fundamental elastic parameter k2 of the Mercury. Taking into account the resonant properties of the Mercury motion variations of the Mercury potential coefficients we present in the form of Fourier series on the multiple of corresponding arguments of the Mercury orbital theory. Evaluations of the amplitudes and periods of observed variations of Mercury potential have been tabulated for base elastic model of the Mercury characterized by hypothetic elastic parameter (Love number) k2=0.37 (Dehant et al., 2005). Tidal variations of polar moment of inertia of the Mercury (due to tidal deformations) lead to remarkable variations of the Mercury rotation. Tidal variations of the Mercury axial rotation also have been determined and tabulated. From our results it follows that the tide periodic variations of gravitational coefficients of the Mercury in a few orders bigger then corresponding tidal variations of Earth's geopotential coefficients (Ferrandiz, Getino, 1993). Variations coefficients of the second harmonic of Mercury potential. These variations are determined by the known formulae for variations of coefficients of the second harmonic of geopotential (Ferrandiz, Getino, 1993). Here we present these formulae in some special form as applied to the considered problem about the Mercury tidal deformations: ( ) δJ2 = - 3Tα23-2, δC22 = T α21 - α22 -4, δS22 = T α1α2-2, δC21 = Tα1α3, δS21 = T α2α3. Here T = k2(M R3 -ma3 ) = 1.667 × 10-7 is a estimation of some conditional coefficient of tidal deformation of Mercury. m and Rare the mass and the mean radius of Mercury. Here we have used standard values of

  4. Potential energy surfaces for Ж = , Ne- Ba nuclei

    Indian Academy of Sciences (India)

    112Ba nu- clei in an axially deformed relativistic mean field approach. A quadratic constraint scheme is applied to determine the complete energy surface for a wide range of the quadrupole deformation. The NL3, NL-RA1 and TM1 parameter sets ...

  5. Effect of potential attraction term on surface tension of ionic liquids

    Science.gov (United States)

    Vaziri, N.; Khordad, R.; Rezaei, G.

    2018-03-01

    In this work, we have studied the effect of attraction term of molecular potential on surface tension of ionic liquids (ILs). For this purpose, we have introduced two different potential models to obtain analytical expressions for the surface tension of ILs. The introduced potential models have different attraction terms. The obtained surface tensions in this work have been compared with other theoretical methods and also experimental data. Using the calculated surface tension, the sound velocity is also estimated. We have studied the structural effects on the surface tensions of imidazolium-based ionic liquids. It is found that the cation alkyl chain length and the anion size play important roles to the surface tension of the selected ionic liquids. The calculated surface tensions show a good harmony with experimental data. It is clear that the attraction term of molecular potential has an important role on surface tension and sound velocity of our system.

  6. Surface modification induced phase transformation and structure variation on the rapidly solidified recast layer of titanium

    Energy Technology Data Exchange (ETDEWEB)

    Tsai, Ming-Hung [Department of Mechanical Engineering and Graduate Institute of Mechanical and Precision Engineering, National Kaoshiung University of Applied Sciences, Kaoshiung 807, Taiwan (China); School of Dentistry, College of Oral Medicine, Taipei Medical University, Taipei 110, Taiwan (China); Haung, Chiung-Fang [School of Dental Technology, College of Oral Medicine, Taipei Medical University, Taipei 110, Taiwan (China); Division of Family and Operative Dentistry, Department of Dentistry, Taipei Medical University Hospital, Taipei 110, Taiwan (China); Research Center for Biomedical Devices and Prototyping Production, Taipei Medical University, Taipei 110, Taiwan (China); Shyu, Shih-Shiun [Department of Dentistry, Taipei Tzu Chi Hospital, Buddhist Tzu Chi Medical Foundation, New Taipei City 231, Taiwan (China); Chou, Yen-Ru [Research Center for Biomedical Devices and Prototyping Production, Taipei Medical University, Taipei 110, Taiwan (China); Graduate Institute of Biomedical Materials and Tissue Engineering, College of Oral Medicine, Taipei Medical University, Taipei 110, Taiwan (China); Research Center for Biomedical Implants and Microsurgery Devices, Taipei Medical University, Taipei 110, Taiwan (China); Lin, Ming-Hong [Department of Mechanical Engineering and Graduate Institute of Mechanical and Precision Engineering, National Kaoshiung University of Applied Sciences, Kaoshiung 807, Taiwan (China); Peng, Pei-Wen, E-mail: apon@tmu.edu.tw [School of Dental Technology, College of Oral Medicine, Taipei Medical University, Taipei 110, Taiwan (China); and others

    2015-08-15

    In this study, neodymium-doped yttrium orthovanadate (Nd:YVO{sub 4}) as a laser source with different scanning speeds was used on biomedical Ti surface. The microstructural and biological properties of laser-modified samples were investigated by means of optical microscope, electron microscope, X-ray diffraction, surface roughness instrument, contact angle and cell cytotoxicity assay. After laser modification, the rough volcano-like recast layer with micro-/nanoporous structure and wave-like recast layer with nanoporous structure were generated on the surfaces of laser-modified samples, respectively. It was also found out that, an α → (α + rutile-TiO{sub 2}) phase transition occurred on the recast layers of laser-modified samples. The Ti surface becomes hydrophilic at a high speed laser scanning. Moreover, the cell cytotoxicity assay demonstrated that laser-modified samples did not influence the cell adhesion and proliferation behaviors of osteoblast (MG-63) cell. The laser with 50 mm/s scanning speed induced formation of rough volcano-like recast layer accompanied with micro-/nanoporous structure, which can promote cell adhesion and proliferation of MG-63 cell on Ti surface. The results indicated that the laser treatment was a potential technology to enhance the biocompatibility for titanium. - Highlights: • Laser induced the formation of recast layer with micro-/nanoporous structure on Ti. • An α → (α + rutile-TiO{sub 2}) phase transition was observed within the recast layer. • The Ti surface becomes hydrophilic at a high speed laser scanning. • Laser-modified samples exhibit good biocompatibility to osteoblast (MG-63) cell.

  7. Temporal aspects of surface water quality variation using robust statistical tools.

    Science.gov (United States)

    Mustapha, Adamu; Aris, Ahmad Zaharin; Ramli, Mohammad Firuz; Juahir, Hafizan

    2012-01-01

    Robust statistical tools were applied on the water quality datasets with the aim of determining the most significance parameters and their contribution towards temporal water quality variation. Surface water samples were collected from four different sampling points during dry and wet seasons and analyzed for their physicochemical constituents. Discriminant analysis (DA) provided better results with great discriminatory ability by using five parameters with (P < 0.05) for dry season affording more than 96% correct assignation and used five and six parameters for forward and backward stepwise in wet season data with P-value (P < 0.05) affording 68.20% and 82%, respectively. Partial correlation results revealed that there are strong (r(p) = 0.829) and moderate (r(p) = 0.614) relationships between five-day biochemical oxygen demand (BOD(5)) and chemical oxygen demand (COD), total solids (TS) and dissolved solids (DS) controlling for the linear effect of nitrogen in the form of ammonia (NH(3)) and conductivity for dry and wet seasons, respectively. Multiple linear regression identified the contribution of each variable with significant values r = 0.988, R(2) = 0.976 and r = 0.970, R(2) = 0.942 (P < 0.05) for dry and wet seasons, respectively. Repeated measure t-test confirmed that the surface water quality varies significantly between the seasons with significant value P < 0.05.

  8. Temporal Aspects of Surface Water Quality Variation Using Robust Statistical Tools

    Directory of Open Access Journals (Sweden)

    Adamu Mustapha

    2012-01-01

    Full Text Available Robust statistical tools were applied on the water quality datasets with the aim of determining the most significance parameters and their contribution towards temporal water quality variation. Surface water samples were collected from four different sampling points during dry and wet seasons and analyzed for their physicochemical constituents. Discriminant analysis (DA provided better results with great discriminatory ability by using five parameters with (P<0.05 for dry season affording more than 96% correct assignation and used five and six parameters for forward and backward stepwise in wet season data with P-value (P<0.05 affording 68.20% and 82%, respectively. Partial correlation results revealed that there are strong (rp=0.829 and moderate (rp=0.614 relationships between five-day biochemical oxygen demand (BOD5 and chemical oxygen demand (COD, total solids (TS and dissolved solids (DS controlling for the linear effect of nitrogen in the form of ammonia (NH3 and conductivity for dry and wet seasons, respectively. Multiple linear regression identified the contribution of each variable with significant values r = 0.988, R2 = 0.976 and r = 0.970, R2 = 0.942 (P<0.05 for dry and wet seasons, respectively. Repeated measure t-test confirmed that the surface water quality varies significantly between the seasons with significant value P<0.05.

  9. Partitioning Evapotranspiration in Semiarid Grassland and Shrubland Ecosystems Using Diurnal Surface Temperature Variation

    Science.gov (United States)

    Moran, M. Susan; Scott, Russell L.; Keefer, Timothy O.; Paige, Ginger B.; Emmerich, William E.; Cosh, Michael H.; O'Neill, Peggy E.

    2007-01-01

    The encroachment of woody plants in grasslands across the Western U.S. will affect soil water availability by altering the contributions of evaporation (E) and transpiration (T) to total evapotranspiration (ET). To study this phenomenon, a network of flux stations is in place to measure ET in grass- and shrub-dominated ecosystems throughout the Western U.S. A method is described and tested here to partition the daily measurements of ET into E and T based on diurnal surface temperature variations of the soil and standard energy balance theory. The difference between the mid-afternoon and pre-dawn soil surface temperature, termed Apparent Thermal Inertia (I(sub A)), was used to identify days when E was negligible, and thus, ET=T. For other days, a three-step procedure based on energy balance equations was used to estimate Qe contributions of daily E and T to total daily ET. The method was tested at Walnut Gulch Experimental Watershed in southeast Arizona based on Bowen ratio estimates of ET and continuous measurements of surface temperature with an infrared thermometer (IRT) from 2004- 2005, and a second dataset of Bowen ratio, IRT and stem-flow gage measurements in 2003. Results showed that reasonable estimates of daily T were obtained for a multi-year period with ease of operation and minimal cost. With known season-long daily T, E and ET, it is possible to determine the soil water availability associated with grass- and shrub-dominated sites and better understand the hydrologic impact of regional woody plant encroachment.

  10. Wright Valley Sediments as Potential Analogs for Martian Surface Processes

    Science.gov (United States)

    Englert, P. A. J.; Bishop, J. L.; Patel, S.; Gibson, E. K.; Koeberl, C.

    2015-12-01

    The Antarctic Dry Valleys (ADV) may provide a unique terrestrial analog for current Martian surface processes. The Wright Valley located in the ADV contains streams, lakes and ponds that host highly saline, sedimentary environments. This project highlights comparisons of formation and salt accumulation processes at the Don Juan Pond (DJP) and Don Quixote Pond (DQP). These are located in the north and south forks of the Wright Valley, which are unique areas where unusual terrestrial processes can be studied. DQP is located in the western part of the north fork about 100 m above mean seawater level. The DQP Valley walls are up to 2500 m high and the brine is seasonally frozen. DJP from the south fork is located ~9 km west of Lake Vanda. The basin floor is 117 m above mean seawater level with activity to the north and south rising above 1000 m. The DJP brine does not freeze and may be a model environment for Ca and Cl weathering and distribution on Mars. Our findings indicate that DJP and DQP have formed in similar climatic and geological environments, but likely experienced different formation conditions. Samples were collected from surface, soil pits and depth profiles during the 1979/1980, the 1990/1991 and the 2005/2006 field seasons. Elemental abundances and mineralogy were evaluated for several sets of sediments. The DJP basin shows low surface abundances of halite and relatively high abundances of sulfates throughout with gypsum or anhydrite dominating at different locations. The DQP area has high surface abundances of halite with gypsum present as the major sulfate. Two models have been proposed to explain these differences: DQP may have formed through a combination of shallow and some deep groundwater influx, while deep groundwater upwelling likely played the dominant role of salt formation at DJP. Our study seeks to understand the formation of DQP and DJP as unique terrestrial processes and as models for Ca, Cl, and S weathering and distribution on Mars.

  11. Long-term variations in the surface air 7Be concentration and climatic changes.

    Science.gov (United States)

    Jiwen, Liu; Starovoitova, Valeriia N; Wells, Douglas P

    2013-02-01

    We have used EML Surface Air Sampling Program (SASP) data to analyze the long-term trend in (7)Be surface concentration and address possible correlation between this long-term trend and climatic changes, namely changes in precipitation patterns and temperature. In this paper we present (7)Be concentration data from 23 sites, spanning over 25 years, all over the world, and extract long-term trend parameter using two independent techniques. The (7)Be concentrations in most stations show a pronounced decreasing trend, potentially corresponding to statistically significant changes in transporting (7)Be from upper atmosphere source to these sites. Weak negative correlation between (7)Be concentration and amount of precipitation was also observed. However, more data from more representative sites around the world are needed the statistical robustness of this trend. Published by Elsevier Ltd.

  12. High-accuracy water potential energy surface for the calculation of infrared spectra

    Science.gov (United States)

    Mizus, Irina I.; Kyuberis, Aleksandra A.; Zobov, Nikolai F.; Makhnev, Vladimir Yu.; Polyansky, Oleg L.; Tennyson, Jonathan

    2018-03-01

    Transition intensities for small molecules such as water and CO2 can now be computed with such high accuracy that they are being used to systematically replace measurements in standard databases. These calculations use high-accuracy ab initio dipole moment surfaces and wave functions from spectroscopically determined potential energy surfaces (PESs). Here, an extra high-accuracy PES of the water molecule (H216O) is produced starting from an ab initio PES which is then refined to empirical rovibrational energy levels. Variational nuclear motion calculations using this PES reproduce the fitted energy levels with a standard deviation of 0.011 cm-1, approximately three times their stated uncertainty. The use of wave functions computed with this refined PES is found to improve the predicted transition intensities for selected (problematic) transitions. A new room temperature line list for H216O is presented. It is suggested that the associated set of line intensities is the most accurate available to date for this species. This article is part of the theme issue `Modern theoretical chemistry'.

  13. High-accuracy water potential energy surface for the calculation of infrared spectra.

    Science.gov (United States)

    Mizus, Irina I; Kyuberis, Aleksandra A; Zobov, Nikolai F; Makhnev, Vladimir Yu; Polyansky, Oleg L; Tennyson, Jonathan

    2018-03-13

    Transition intensities for small molecules such as water and CO 2 can now be computed with such high accuracy that they are being used to systematically replace measurements in standard databases. These calculations use high-accuracy ab initio dipole moment surfaces and wave functions from spectroscopically determined potential energy surfaces (PESs). Here, an extra high-accuracy PES of the water molecule (H 2 16 O) is produced starting from an ab initio PES which is then refined to empirical rovibrational energy levels. Variational nuclear motion calculations using this PES reproduce the fitted energy levels with a standard deviation of 0.011 cm -1 , approximately three times their stated uncertainty. The use of wave functions computed with this refined PES is found to improve the predicted transition intensities for selected (problematic) transitions. A new room temperature line list for H 2 16 O is presented. It is suggested that the associated set of line intensities is the most accurate available to date for this species.This article is part of the theme issue 'Modern theoretical chemistry'. © 2018 The Author(s).

  14. Adsorption of lysozyme on base metal surfaces in the presence of an external electric potential.

    Science.gov (United States)

    Ei Ei, Htwe; Nakama, Yuhi; Tanaka, Hiroshi; Imanaka, Hiroyuki; Ishida, Naoyuki; Imamura, Koreyoshi

    2016-11-01

    The impact of external electric potential on the adsorption of a protein to base metal surfaces was examined. Hen egg white lysozyme (LSZ) and six types of base metal plates (stainless steel SUS316L (St), Ti, Ta, Zr, Cr, or Ni) were used as the protein and adsorption surface, respectively. LSZ was allowed to adsorb on the surface under different conditions (surface potential, pH, electrolyte type and concentration, surface material), which was monitored using an ellipsometer. LSZ adsorption was minimized in the potential range above a certain threshold and, in the surface potential range below the threshold, decreasing the surface potential increased the amount of protein adsorbed. The threshold potential for LSZ adsorption was shifted toward a positive value with increasing pH and was lower for Ta and Zr than for the others. A divalent anion salt (K2SO4) as an electrolyte exhibited the adsorption of LSZ in the positive potential range while a monovalent salt (KCl) did not. A comprehensive consideration of the obtained results suggests that two modes of interactions, namely the electric force by an external electric field and electrostatic interactions with ionized surface hydroxyl groups, act on the LSZ molecules and determine the extent of suppression of LSZ adsorption. All these findings appear to support the view that a base metal surface can be controlled for the affinity to a protein by manipulating the surface electric potential as has been reported on some electrode materials. Copyright © 2016 Elsevier B.V. All rights reserved.

  15. Calculation of the surface potential and surface charge density by measurement of the three-phase contact angle.

    Science.gov (United States)

    Horiuchi, H; Nikolov, A; Wasan, D T

    2012-11-01

    The silica/silicon wafer is widely used in the semiconductor industry in the manufacture of electronic devices, so it is essential to understand its physical chemistry and determine the surface potential at the silica wafer/water interface. However, it is difficult to measure the surface potential of a silica/silicon wafer directly due to its high electric resistance. In the present study, the three-phase contact angle (TPCA) on silica is measured as a function of the pH. The surface potential and surface charge density at the silica/water surface are calculated by a model based on the Young-Lippmann equation in conjunction with the Gouy-Chapman model for the electric double layer. In measurements of the TPCA on silica, two distinct regions were identified with a boundary at pH 9.5-showing a dominance of the surface ionization of silanol groups below pH 9.5 and a dominance of the dissolution of silica into the aqueous solution above pH 9.5. Since the surface chemistry changes above pH 9.5, the model is applied to solutions below pH 9.5 (ionization dominant) for the calculation of the surface potential and surface charge density at the silica/aqueous interface. In order to evaluate the model, a galvanic mica cell was made of a mica sheet and the surface potential was measured directly at the mica/water interface. The model results are also validated by experimental data from the literature, as well as the results obtained by the potentiometric titration method and the electro-kinetic measurements. Copyright © 2012 Elsevier Inc. All rights reserved.

  16. Oxathiiranes 8 On the OCS2 Singlet Potential Energy Surface

    DEFF Research Database (Denmark)

    Carlsen, Lars

    1982-01-01

    as the fragmentations of the possible intermediates 1–5 have been studied theoretically within the semiempirical cndo/B framework as conceivable ground-state reactions. On the basis of mo correlations and potential energy changes along the reaction paths, supplementary with previously reported experimental data...

  17. Interannual variations in length of day and atmospheric angular momentum, and their seasonal associations with El Niño/Southern Oscillation-like sea surface temperature patterns

    Science.gov (United States)

    Li, Yuefeng; Xiao, Ziniu; Shi, Wenjing; Zhong, Qi; Wang, Qiguang; Li, Huanlian

    2017-12-01

    This study examines the seasonal connections between the interannual variations in LOD (length of day)/AAMglobe (the relative atmospheric angular momentum for the whole globe) and the ENSO-like SST (El Niño/Southern Oscillation-like sea surface temperature) pattern and corresponding zonal and vertical circulations. Consistent with previous studies, the ENSO-like SST impact the following season LOD/AAMglobe, with the strongest correlations in DJF (December, January, and February), when it is likely to be the peak El Niño/La Niña period. Lag correlations between the interannual variations in LOD/AAMglobe and surface temperature, and the interannual variations in LOD and both zonal circulation and vertical airflow around the equator, consistently indicate that the LOD/AAMglobe reflect the potential impacts of variations in the Earth's rotation rate on the following season's sea surface temperatures (SST) over the tropical central and eastern Pacific (where the ENSO-like SST pattern is located). Moreover, the centers of strongest variation in the AAMcolumn (the relative atmospheric angular momentum for an air column and the unit mass over a square meter) are located over the mid-latitudinal North Pacific in DJF and MAM (March, April, and May), and over the mid-latitudinal South Pacific in JJA (June, July, and August) and SON (September, October, and November). This suggests that the AAMcolumn over the mid-latitudinal Pacific around 30°N (30°S) dominate the modulation of Earth's rotation rate, and then impact the variations in LOD during DJF and MAM (JJA and SON).

  18. Calculation of surface potentials at the silica-water interface using molecular dynamics: Challenges and opportunities

    Science.gov (United States)

    Lowe, Benjamin M.; Skylaris, Chris-Kriton; Green, Nicolas G.; Shibuta, Yasushi; Sakata, Toshiya

    2018-04-01

    Continuum-based methods are important in calculating electrostatic properties of interfacial systems such as the electric field and surface potential but are incapable of providing sufficient insight into a range of fundamentally and technologically important phenomena which occur at atomistic length-scales. In this work a molecular dynamics methodology is presented for interfacial electric field and potential calculations. The silica-water interface was chosen as an example system, which is highly relevant for understanding the response of field-effect transistors sensors (FET sensors). Detailed validation work is presented, followed by the simulated surface charge/surface potential relationship. This showed good agreement with experiment at low surface charge density but at high surface charge density the results highlighted challenges presented by an atomistic definition of the surface potential. This methodology will be used to investigate the effect of surface morphology and biomolecule addition; both factors which are challenging using conventional continuum models.

  19. An accurate global potential energy surface, dipole moment surface, and rovibrational frequencies for NH3

    Science.gov (United States)

    Huang, Xinchuan; Schwenke, David W.; Lee, Timothy J.

    2008-12-01

    A global potential energy surface (PES) that includes short and long range terms has been determined for the NH3 molecule. The singles and doubles coupled-cluster method that includes a perturbational estimate of connected triple excitations and the internally contracted averaged coupled-pair functional electronic structure methods have been used in conjunction with very large correlation-consistent basis sets, including diffuse functions. Extrapolation to the one-particle basis set limit was performed and core correlation and scalar relativistic contributions were included directly, while the diagonal Born-Oppenheimer correction was added. Our best purely ab initio PES, denoted "mixed," is constructed from two PESs which differ in whether the ic-ACPF higher-order correlation correction was added or not. Rovibrational transition energies computed from the mixed PES agree well with experiment and the best previous theoretical studies, but most importantly the quality does not deteriorate even up to 10300cm-1 above the zero-point energy (ZPE). The mixed PES was improved further by empirical refinement using the most reliable J =0-2 rovibrational transitions in the HITRAN 2004 database. Agreement between high-resolution experiment and rovibrational transition energies computed from our refined PES for J =0-6 is excellent. Indeed, the root mean square (rms) error for 13 HITRAN 2004 bands for J =0-2 is 0.023cm-1 and that for each band is always ⩽0.06cm-1. For J =3-5 the rms error is always ⩽0.15cm-1. This agreement means that transition energies computed with our refined PES should be useful in the assignment of new high-resolution NH3 spectra and in correcting mistakes in previous assignments. Ideas for further improvements to our refined PES and for extension to other isotopolog are discussed.

  20. Erosive potential of energy drinks on the dentine surface.

    Science.gov (United States)

    Pinto, Shelon C S; Bandeca, Matheus C; Silva, Carolina N; Cavassim, Rodrigo; Borges, Alvaro H; Sampaio, José E C

    2013-02-19

    Considering the current high consumption of energy drinks, the aim of the present study is to evaluate the influence of energy drinks in removing the smear layer and exposing dentinal tubules on root surface. Dentine root surfaces were exposed using a diamond bur. Forty movements of scaling were performed in the area prepared in order to create a smear layer. One hundred and thirty specimens were obtained from 35 teeth. Specimens were randomly distributed into 12 groups (n = 10) and divided into subgroups according to the application: topical (n = 5) and friction (n = 5). Twelve energy drinks were evaluated: RedBull, Burn, TNT, Flash Power, Flying Horse, Sports Drink, Ionic, Hot Power, Army Power, Gladiator and Bug. Distilled water was used as a control group. The specimens were analysed by scanning electron microscopy. Topical application: a significant influence of energy drinks on smear layer removal was found for FlyingHorse and Bug when compared with the control group. Friction application: significant smear layer removal was found for Burn, FlyingHorse, Gladiator, SportsDrinks, when compared with the control group. Comparing the different application forms, a statistically significant difference was found for Army Power. Considering the significant smear layer removal, energy drinks can be an important etiological factor for cervical dentine hypersensitivity.

  1. Influence of surface conductivity on the apparent zeta potential of calcite.

    Science.gov (United States)

    Li, Shuai; Leroy, Philippe; Heberling, Frank; Devau, Nicolas; Jougnot, Damien; Chiaberge, Christophe

    2016-04-15

    Zeta potential is a physicochemical parameter of particular importance in describing the surface electrical properties of charged porous media. However, the zeta potential of calcite is still poorly known because of the difficulty to interpret streaming potential experiments. The Helmholtz-Smoluchowski (HS) equation is widely used to estimate the apparent zeta potential from these experiments. However, this equation neglects the influence of surface conductivity on streaming potential. We present streaming potential and electrical conductivity measurements on a calcite powder in contact with an aqueous NaCl electrolyte. Our streaming potential model corrects the apparent zeta potential of calcite by accounting for the influence of surface conductivity and flow regime. We show that the HS equation seriously underestimates the zeta potential of calcite, particularly when the electrolyte is diluted (ionic strength ⩽ 0.01 M) because of calcite surface conductivity. The basic Stern model successfully predicted the corrected zeta potential by assuming that the zeta potential is located at the outer Helmholtz plane, i.e. without considering a stagnant diffuse layer at the calcite-water interface. The surface conductivity of calcite crystals was inferred from electrical conductivity measurements and computed using our basic Stern model. Surface conductivity was also successfully predicted by our surface complexation model. Copyright © 2016 Elsevier Inc. All rights reserved.

  2. Temporal variations of potential fecundity of southern blue whiting (Micromesistius australis australis) in the Southeast Pacific

    Science.gov (United States)

    Flores, Andrés; Wiff, Rodrigo; Díaz, Eduardo; Carvajal, Bernardita

    2017-08-01

    Fecundity is a key aspect of fish species reproductive biology because it relates directly to total egg production. Yet, despite such importance, fecundity estimates are lacking or scarce for several fish species. The gravimetric method is the most-used one to estimate fecundity by essentially scaling up the oocyte density to the ovary weight. It is a relatively simple and precise technique, but also time consuming because it requires counting all oocytes in an ovary subsample. The auto-diametric method, on the other hand, is relatively new for estimating fecundity, representing a rapid alternative, because it requires only an estimation of mean oocyte density from mean oocyte diameter. Using the extensive database available from commercial fishery and design surveys for southern blue whiting Micromesistius australis australis in the Southeast Pacific, we compared estimates of fecundity using both gravimetric and auto-diametric methods. Temporal variations in potential fecundity from the auto-diametric method were evaluated using generalised linear models considering predictors from maternal characteristics such as female size, condition factor, oocyte size, and gonadosomatic index. A global and time-invariant auto-diametric equation was evaluated using a simulation procedure based on non-parametric bootstrap. Results indicated there were not significant differences regarding fecundity estimates between the gravimetric and auto-diametric method (p > 0.05). Simulation showed the application of a global equation is unbiased and sufficiently precise to estimate time-invariant fecundity of this species. Temporal variations on fecundity were explained by maternal characteristic, revealing signals of fecundity down-regulation. We discuss how oocyte size and nutritional condition (measured as condition factor) are one of the important factors determining fecundity. We highlighted also the relevance of choosing the appropriate sampling period to conduct maturity studies

  3. Sensitivity analysis and parameter estimation for distributed hydrological modeling: potential of variational methods

    Directory of Open Access Journals (Sweden)

    W. Castaings

    2009-04-01

    Full Text Available Variational methods are widely used for the analysis and control of computationally intensive spatially distributed systems. In particular, the adjoint state method enables a very efficient calculation of the derivatives of an objective function (response function to be analysed or cost function to be optimised with respect to model inputs.

    In this contribution, it is shown that the potential of variational methods for distributed catchment scale hydrology should be considered. A distributed flash flood model, coupling kinematic wave overland flow and Green Ampt infiltration, is applied to a small catchment of the Thoré basin and used as a relatively simple (synthetic observations but didactic application case.

    It is shown that forward and adjoint sensitivity analysis provide a local but extensive insight on the relation between the assigned model parameters and the simulated hydrological response. Spatially distributed parameter sensitivities can be obtained for a very modest calculation effort (~6 times the computing time of a single model run and the singular value decomposition (SVD of the Jacobian matrix provides an interesting perspective for the analysis of the rainfall-runoff relation.

    For the estimation of model parameters, adjoint-based derivatives were found exceedingly efficient in driving a bound-constrained quasi-Newton algorithm. The reference parameter set is retrieved independently from the optimization initial condition when the very common dimension reduction strategy (i.e. scalar multipliers is adopted.

    Furthermore, the sensitivity analysis results suggest that most of the variability in this high-dimensional parameter space can be captured with a few orthogonal directions. A parametrization based on the SVD leading singular vectors was found very promising but should be combined with another regularization strategy in order to prevent overfitting.

  4. Potential surface for the collinear collision of Ne and H/sub 2//sup +/. [eendoergicity, surface parametrization

    Energy Technology Data Exchange (ETDEWEB)

    Hayes, E.F.; Siu, A.K.Q.; Chapman, F.M. Jr.; Matcha, R.L.

    1976-09-01

    A potential energy surface for the Ne--H/sub 2//sup +/ reaction has been obtained in the LCAO--MO--SCF approximation. Analysis of the surface indicates that the reaction Ne+H/sub 2//sup +/..-->..NeH/sup +/+H should proceed with an endoergicity of 12 kcal/mole, in agreement with the experimental results of Chupka and Russell. Several procedures for parameterizing a diatomics-in-molecules (DIM) representation of the NeH/sub 2//sup +/ surface are considered. The results show that an accurate representation of the SCF surface can be obtained from the DIM model using a minimum of diatomic and triatomic data. (AIP)

  5. Surface self-potential patterns related to transmissive fracture trends during a water injection test

    Science.gov (United States)

    DesRoches, A. J.; Butler, K. E.; MacQuarrie, K. TB

    2018-03-01

    Variations in self-potential (SP) signals were recorded over an electrode array during a constant head injection test in a fractured bedrock aquifer. Water was injected into a 2.2 m interval isolated between two inflatable packers at 44 m depth in a vertical well. Negative SP responses were recorded on surface corresponding to the start of the injection period with strongest magnitudes recorded in electrodes nearest the well. SP response decreased in magnitude at electrodes further from the well. Deflation of the packer system resulted in a strong reversal in the SP signal. Anomalous SP patterns observed at surface at steady state were found to be aligned with dominant fracture strike orientations found within the test interval. Numerical modelling of fluid and current flow within a simplified fracture network showed that azimuthal patterns in SP are mainly controlled by transmissive fracture orientations. The strongest SP gradients occur parallel to hydraulic gradients associated with water flowing out of the transmissive fractures into the tighter matrix and other less permeable cross-cutting fractures. Sensitivity studies indicate that increasing fracture frequency near the well increases the SP magnitude and enhances the SP anomaly parallel to the transmissive set. Decreasing the length of the transmissive fractures leads to more fluid flow into the matrix and into cross-cutting fractures proximal to the well, resulting in a more circular and higher magnitude SP anomaly. Results from the field experiment and modelling provide evidence that surface-based SP monitoring during constant head injection tests has the ability to identify groundwater flow pathways within a fractured bedrock aquifer.

  6. Electrohydrodynamics of binary electrolytes driven by modulated surface potentials

    DEFF Research Database (Denmark)

    Mortensen, Asger; Olesen, Laurits Højgaard; Belmon, L.

    2005-01-01

    We study the electrohydrodynamics of the Debye screening layer that arises in an aqueous binary solution near a planar insulating wall when applying a spatially modulated ac voltage. Combining this with first order perturbation theory we establish the governing equations for the full nonequilibrium...... problem and obtain analytic solutions in the bulk for the pressure and velocity fields of the electrolyte and for the electric potential. We find good agreement between the numerics of the full problem and the analytics of the linear theory. Our work provides the theoretical foundations of circuit models...

  7. Temporal variation of coastal surface sediment bacterial communities along an environmental pollution gradient.

    Science.gov (United States)

    Thiyagarajan, V; Tsoi, M M Y; Zhang, W; Qian, P Y

    2010-07-01

    Terminal restriction fragment length polymorphism analysis (T-RFLP) was used to track the changes of bacterial community compositions (BCC) in coastal surface sediments along an environmental pollution gradient between 2004 and 2006. BCC in the chronically contaminated sites showed the largest deviation from those in the adjacent sites. Surprisingly, BCC at two contrasting environments (oceanic vs. river-influenced) were more similar. Unexpectedly, the BCC did not recover (when compared to oceanic control site) even after 5 years of pollution abatement initiatives in Victoria Harbour, Hong Kong. On the other hand, disposal of treated sewage for 5 years in one of the sites did not significantly affect the BCC. A striking seasonal variation in the BCC was observed at only the polluted sites. Although factors other than pollution gradients may explain the observed BCC patterns, the information presented here can be useful in predicting long-term effects of pollution on BCC. Furthermore, this study suggests that BCC analysis using T-RFLP is a faster, reliable and easier approach to monitor microbenthic community response to environmental pollution gradient in coastal sediments. 2010 Elsevier Ltd. All rights reserved.

  8. Diffusion Filters for Variational Data Assimilation of Sea Surface Temperature in an Intermediate Climate Model

    Directory of Open Access Journals (Sweden)

    Xuefeng Zhang

    2015-01-01

    Full Text Available Sequential, adaptive, and gradient diffusion filters are implemented into spatial multiscale three-dimensional variational data assimilation (3DVAR as alternative schemes to model background error covariance matrix for the commonly used correction scale method, recursive filter method, and sequential 3DVAR. The gradient diffusion filter (GDF is verified by a two-dimensional sea surface temperature (SST assimilation experiment. Compared to the existing DF, the new GDF scheme shows a superior performance in the assimilation experiment due to its success in extracting the spatial multiscale information. The GDF can retrieve successfully the longwave information over the whole analysis domain and the shortwave information over data-dense regions. After that, a perfect twin data assimilation experiment framework is designed to study the effect of the GDF on the state estimation based on an intermediate coupled model. In this framework, the assimilation model is subject to “biased” initial fields from the “truth” model. While the GDF reduces the model bias in general, it can enhance the accuracy of the state estimation in the region that the observations are removed, especially in the South Ocean. In addition, the higher forecast skill can be obtained through the better initial state fields produced by the GDF.

  9. Intermolecular potential energy surface and thermophysical properties of ethylene oxide

    International Nuclear Information System (INIS)

    Crusius, Johann-Philipp; Hassel, Egon; Hellmann, Robert; Bich, Eckard

    2014-01-01

    A six-dimensional potential energy hypersurface (PES) for two interacting rigid ethylene oxide (C 2 H 4 O) molecules was determined from high-level quantum-chemical ab initio calculations. The counterpoise-corrected supermolecular approach at the MP2 and CCSD(T) levels of theory was utilized to determine interaction energies for 10178 configurations of two molecules. An analytical site-site potential function with 19 sites per ethylene oxide molecule was fitted to the interaction energies and fine tuned to agree with data for the second acoustic virial coefficient from accurate speed of sound measurements. The PES was validated by computing the second virial coefficient, shear viscosity, and thermal conductivity. The values of these properties are substantiated by the best experimental data as they tend to fall within the uncertainty intervals and also obey the experimental temperature functions, except for viscosity, where experimental data are insufficient. Due to the lack of reliable data, especially for the transport properties, our calculated values are currently the most accurate estimates for these properties of ethylene oxide

  10. Intermolecular potential energy surface and thermophysical properties of ethylene oxide

    Energy Technology Data Exchange (ETDEWEB)

    Crusius, Johann-Philipp, E-mail: johann-philipp.crusius@uni-rostock.de; Hassel, Egon [Lehrstuhl für Technische Thermodynamik, Universität Rostock, 18059 Rostock (Germany); Hellmann, Robert; Bich, Eckard [Institut für Chemie, Universität Rostock, 18059 Rostock (Germany)

    2014-10-28

    A six-dimensional potential energy hypersurface (PES) for two interacting rigid ethylene oxide (C{sub 2}H{sub 4}O) molecules was determined from high-level quantum-chemical ab initio calculations. The counterpoise-corrected supermolecular approach at the MP2 and CCSD(T) levels of theory was utilized to determine interaction energies for 10178 configurations of two molecules. An analytical site-site potential function with 19 sites per ethylene oxide molecule was fitted to the interaction energies and fine tuned to agree with data for the second acoustic virial coefficient from accurate speed of sound measurements. The PES was validated by computing the second virial coefficient, shear viscosity, and thermal conductivity. The values of these properties are substantiated by the best experimental data as they tend to fall within the uncertainty intervals and also obey the experimental temperature functions, except for viscosity, where experimental data are insufficient. Due to the lack of reliable data, especially for the transport properties, our calculated values are currently the most accurate estimates for these properties of ethylene oxide.

  11. Ab Initio and DFT Potential Energy Surfaces for Cyanuric Chloride Reactions

    National Research Council Canada - National Science Library

    Pai, Sharmila

    1998-01-01

    ... on the potential energy surface were calculated using the 6-31G and 6-311 +Gbasis sets. DFT(B3LYP) geometry optimizations and zero-point corrections for critical points on the potential energy surface were calculated with the 6-31G, 6-311...

  12. 3D Printed Potential and Free Energy Surfaces for Teaching Fundamental Concepts in Physical Chemistry

    Science.gov (United States)

    Kaliakin, Danil S.; Zaari, Ryan R.; Varganov, Sergey A.

    2015-01-01

    Teaching fundamental physical chemistry concepts such as the potential energy surface, transition state, and reaction path is a challenging task. The traditionally used oversimplified 2D representation of potential and free energy surfaces makes this task even more difficult and often confuses students. We show how this 2D representation can be…

  13. Characterization of electrical conductivity of carbon fiber reinforced plastic using surface potential distribution

    Science.gov (United States)

    Kikunaga, Kazuya; Terasaki, Nao

    2018-04-01

    A new method of evaluating electrical conductivity in a structural material such as carbon fiber reinforced plastic (CFRP) using surface potential is proposed. After the CFRP was charged by corona discharge, the surface potential distribution was measured by scanning a vibrating linear array sensor along the object surface with a high spatial resolution over a short duration. A correlation between the weave pattern of the CFRP and the surface potential distribution was observed. This result indicates that it is possible to evaluate the electrical conductivity of a material comprising conducting and insulating regions.

  14. Prediction of hydrocarbon surface seepage potential using infiltrometer data

    Science.gov (United States)

    Connors, J. J.; Jackson, J. L.; Engle, R. A.; Connors, J. L.

    2017-12-01

    Environmental regulations addressing above-ground storage tank (AST) spill control activities typically require owners/operators to demonstrate that local soil permeability values are low enough to adequately contain released liquids while emergency-response procedures are conducted. Frequently, geotechnical borings and soil samples/analyses, and/or monitoring well slug-test analyses, are used to provide hydraulic conductivity data for the required calculations. While these techniques are useful in assessing hydrological characteristics of the subsurface, they do not always assess the uppermost surface soil layer, where the bulk of the containment can occur. This layer may have been subject to long-term permeability-reduction by activities such as compaction by vehicular and foot traffic, micro-coatings by hydrophobic pollutants, etc. This presentation explores the usefulness of dual-ring infiltrometers, both in field and bench-scale tests, to rapidly acquire actual hydraulic conductivity values of surficial soil layers, which can be much lower than subsurface values determined using more traditional downhole geotechnical and hydrogeological approaches.

  15. Arctic and Antarctic diurnal and seasonal variations of snow albedo from multiyear Baseline Surface Radiation Network measurements

    OpenAIRE

    Wang, Xianwei; Zender, Charles S

    2011-01-01

    This study analyzes diurnal and seasonal variations of snow albedo at four Baseline Surface Radiation Network stations in the Arctic and Antarctica from 2003 to 2008 to elucidate similarities and differences in snow albedo diurnal cycles across geographic zones and to assess how diurnal changes in snow albedo affect the surface energy budget. At the seasonal scale, the daily albedo for the perennial snow at stations South Pole and Georg von Neumayer in Antarctica has a similar symmetric varia...

  16. Dissociative chemisorption of methane on Ni(111) using a chemically accurate fifteen dimensional potential energy surface.

    Science.gov (United States)

    Zhou, Xueyao; Nattino, Francesco; Zhang, Yaolong; Chen, Jun; Kroes, Geert-Jan; Guo, Hua; Jiang, Bin

    2017-11-22

    A fifteen-dimensional global potential energy surface for the dissociative chemisorption of methane on the rigid Ni(111) surface is developed by a high fidelity fit of ∼200 000 DFT energy points computed using a specific reaction parameter density functional designed to reproduce experimental data. The permutation symmetry and surface periodicity are rigorously enforced using the permutation invariant polynomial-neural network approach. The fitting accuracy of the potential energy surface is thoroughly investigated by examining both static and dynamical attributes of CHD 3 dissociation on the frozen surface. This potential energy surface is expected to be chemically accurate as after correction for surface temperature effects it reproduces the measured initial sticking probabilities of CHD 3 on Ni(111) for various incidence conditions.

  17. Spatial-temporal variations of phosphorus fractions in surface water and suspended particles in the Daliao River Estuary, Northeast China.

    Science.gov (United States)

    Zhang, Lei; Qin, Yanwen; Han, Chaonan; Cao, Wei; Ma, Yingqun; Shi, Yao; Liu, Zhichao; Yang, Chenchen

    2016-08-01

    The transport and storage of phosphorus in estuary is a complex biogeochemical process as the result of the convergence of fresh and saline water. The objective of the current study is to investigate the spatial-temporal variations of phosphorus fractions in surface water and suspended particles of Daliao River Estuary, China. Samples were collected in August (wet season) and November (dry season), 2013. The results showed that total particulate phosphorus (TPP) in water accounted for more than 50 % of the total phosphorus (TP). Meanwhile, in suspended particles, more than 62 % of particulate phosphorus was in the form of bioavailable phosphorus, including exchangeable phosphorus (Exc-P), extractable organic phosphorus (Exo-P), and iron-bound phosphorus (Fe-P), which meant that the potential impacts of bioavailable phosphorus in suspended particles on estuarine water environment cannot be ignored. There were significantly seasonal variations of phosphorus fractions in the Daliao River Estuary. The concentrations of phosphorus fractions in water in wet season were much lower than that in dry season because of the dilution effect of larger rainfall in wet season. In addition, spatial distribution characteristics of phosphorus fractions were also obvious. Due to terrigenous phosphorus input from the upstream of tidal reach and seawater dilution effect in coastal estuary, total dissolved phosphorus (TDP) concentrations in water gradually decreased from tidal reach to coastal estuary. However, the concentrations of TPP and TP in water and Exo-P in suspended particles presented spatial fluctuation, and these were greatly attributed to sediment re-suspension in coastal estuary.

  18. Variations in amounts and potential sources of volatile organic chemicals in new cars

    International Nuclear Information System (INIS)

    Chien, Y.-C.

    2007-01-01

    This study examines inter-brand, intra-brand and intra-model variations in volatile organic chemical (VOC) levels inside new cars. The effect of temperature on interior VOC levels was examined using model automobiles with and without the air-conditioning running. Potential sources of VOC were assessed by comparing VOC levels with two interior trims (leather and fabric) and by analyzing VOC emissions from various interior components. Five brands of new car, both domestic and imported, were tested. Twelve targeted VOCs were collected on solid sorbents and analyzed using thermal desorption and GC/FID. VOCs from interior parts and adhesives were identified using solid phase micro-extraction (SPME) coupled with GC/MS. The VOC concentrations varied markedly among brands and within models, and individual VOC levels ranged from below the detection limit (a few μg per cubic meter) to thousands of μg per cubic meter. The intra-model variability (mean, 47%) in the VOC levels was approximately 50% that within each brand (mean, 95%). Although interior trim levels affected VOC levels, the effects differed among brands. Reduction of the cabin temperature reduced most VOC levels, but the impact was not statistically significant. Screening tests for VOCs from interior parts revealed that butylated hydroxytoluene (BHT), a common anti-oxidant, was the most common chemical. Long-chain aliphatic hydrocarbons, particularly C14-C17, were identified in most grease (lubricant) samples, and toluene and xylenes were ubiquitously present in adhesive samples. Process-related compounds, such as plasticizer, were also identified in interior parts. In-cabin VOC levels varied significantly among makes/models and interior trims. Concerned consumers should purchase older new cars from manufacturers since VOC levels inside car cabins normally declines over time. Improved processes or materials with lower VOC emission potential should be used to minimize in-cabin VOC sources for new cars

  19. Discordant distribution of populations and genetic variation in a sea star with high dispersal potential.

    Science.gov (United States)

    Keever, Carson C; Sunday, Jennifer; Puritz, Jonathan B; Addison, Jason A; Toonen, Robert J; Grosberg, Richard K; Hart, Michael W

    2009-12-01

    Patiria miniata, a broadcast-spawning sea star species with high dispersal potential, has a geographic range in the intertidal zone of the northeast Pacific Ocean from Alaska to California that is characterized by a large range gap in Washington and Oregon. We analyzed spatial genetic variation across the P. miniata range using multilocus sequence data (mtDNA, nuclear introns) and multilocus genotype data (microsatellites). We found a strong phylogeographic break at Queen Charlotte Sound in British Columbia that was not in the location predicted by the geographical distribution of the populations. However, this population genetic discontinuity does correspond to previously described phylogeographic breaks in other species. Northern populations from Alaska and Haida Gwaii were strongly differentiated from all southern populations from Vancouver Island and California. Populations from Vancouver Island and California were undifferentiated with evidence of high gene flow or very recent separation across the range disjunction between them. The surprising and discordant spatial distribution of populations and alleles suggests that historical vicariance (possibly caused by glaciations) and contemporary dispersal barriers (possibly caused by oceanographic conditions) both shape population genetic structure in this species.

  20. Modafinil improves event related potentials P300 and contingent negative variation after 24 h sleep deprivation.

    Science.gov (United States)

    Ray, Koushik; Chatterjee, Abhirup; Panjwani, Usha; Kumar, Sanjeev; Sahu, Surajit; Ghosh, Sayan; Thakur, Lalan; Anand, Jag Parvesh

    2012-08-21

    The efficacy of modafinil as a countermeasure in the reduction of cognitive decline following 24 h of sleep deprivation (SD) on subjective sleepiness scales, event-related potential (ERP) P300, and contingent negative variation (CNV) was evaluated. Eleven healthy males, age 25-30 years participated. The experiment was performed in five sessions on different days between 7 and 8a.m. Session 1, baseline recordings; Session 2, after one night's SD; Session 3, 48 h of recovery from SD; Session 4, after 1 week of Session 1, following one night's SD along with modafinil (400mg/day); Session 5, 48 h of recovery after SD+modafinil. Subjective sleepiness scores increased significantly after SD as compared to baseline (Pmodafinil supplementation. There was an increase in N100 and P300 peak latencies of ERP following SD (Pmodafinil (Pmodafinil (Pmodafinil (Pmodafinil in a dose of 400mg/day, reduces the subjective sleepiness and cognitive decline following 24 h of SD. Copyright © 2012 Elsevier Inc. All rights reserved.

  1. Identification of a potential toxic hot spot associated with AVS spatial and seasonal variation.

    Science.gov (United States)

    Campana, O; Rodríguez, A; Blasco, J

    2009-04-01

    In risk assessment of aquatic sediments, much attention is paid to the difference between acid-volatile sulfide (AVS) and simultaneously extracted metals (SEMs) as indicators of metal availability. Ten representative sampling sites were selected along the estuary of the Guadalete River. Surficial sediments were sampled in winter and summer to better understand SEM and AVS spatial and seasonal distributions and to establish priority risk areas. Total SEM concentration (SigmaSEM) ranged from 0.3 to 4.7 micromol g(-1). It was not significantly different between seasons, however, it showed a significant difference between sampling stations. AVS concentrations were much more variable, showing significant spatial and temporal variations. The values ranged from 0.8 to 22.4 micromol g(-1). The SEM/AVS ratio was found to be <1 at all except one station located near the mouth of the estuary. The results provided information on a potential pollution source near the mouth of the estuary, probably associated with vessel-related activities carried out in a local harbor area located near the station.

  2. Variations in pCO2 during summer in the surface water of an unproductive lake in northern Sweden

    International Nuclear Information System (INIS)

    Jonsson, A.; Aaberg, J.; Jansson, M.

    2007-01-01

    Unproductive lakes are generally supersaturated with carbon dioxide (CO 2 ) and emit CO 2 to the atmosphere continuously during ice-free periods. However, temporal variation of the partial pressure of CO 2 (pCO 2 ) and thus of CO 2 evasion to atmosphere is poorly documented. We therefore carried out temporally high-resolution (every 6 h) measurements of the pCO 2 using an automated logger system in the surface water of a subarctic, unproductive, lake in the birch forest belt. The study period was June-September 2004. We found that the pCO 2 showed large seasonal variation, but low daily variation. The seasonal variation was likely mainly caused by variations in input and mineralization of allochthonous organic matter. Stratification depth probably also influenced pCO 2 of the surface water by controlling the volume in which mineralization of dissolved organic carbon (DOC) occurred. In lakes, with large variations in pCO 2 , as in our study lake a high (weekly) sampling intensity is recommended for obtaining accurate estimates of the evasion of CO 2

  3. Effect of surface roughness variation on the transmission characteristics of D-shaped fibers with ambient index change

    International Nuclear Information System (INIS)

    Kim, Hyun-Joo; Kwon, Oh-Jang; Han, Young-Geun

    2010-01-01

    The influence of surface roughness on the sensitivity of D-shaped fibers to changes in the ambient index was investigated. In order to obtain D-shaped fibers with different surface roughness, we polished one side of the fibers by using different abrasive grits. The topographies of the surfaces of the polished D-shaped fibers were then observed by using atomic force microscopy (AFM). The light scattered from the rough surfaces of the D-shaped fibers was measured by using optical microscopy. The effect of an ambient index change on the transmission characteristics of D-shaped fibers was measured for various values of the surface roughness. The experimental results indicate that variations in the surface roughness have a considerable influence on the sensitivity of the transmission characteristics of D-shaped fibers to changes in the ambient index.

  4. Microbial Biofilm Community Variation in Flowing Habitats: Potential Utility as Bioindicators of Postmortem Submersion Intervals

    Directory of Open Access Journals (Sweden)

    Jennifer M. Lang

    2016-01-01

    Full Text Available Biofilms are a ubiquitous formation of microbial communities found on surfaces in aqueous environments. These structures have been investigated as biomonitoring indicators for stream heath, and here were used for the potential use in forensic sciences. Biofilm successional development has been proposed as a method to determine the postmortem submersion interval (PMSI of remains because there are no standard methods for estimating the PMSI and biofilms are ubiquitous in aquatic habitats. We sought to compare the development of epinecrotic (biofilms on Sus scrofa domesticus carcasses and epilithic (biofilms on unglazed ceramic tiles communities in two small streams using bacterial automated ribosomal intergenic spacer analysis. Epinecrotic communities were significantly different from epilithic communities even though environmental factors associated with each stream location also had a significant influence on biofilm structure. All communities at both locations exhibited significant succession suggesting that changing communities throughout time is a general characteristic of stream biofilm communities. The implications resulting from this work are that epinecrotic communities have distinctive shifts at the first and second weeks, and therefore the potential to be used in forensic applications by associating successional changes with submersion time to estimate a PMSI. The influence of environmental factors, however, indicates the lack of a successional pattern with the same organisms and a focus on functional diversity may be more applicable in a forensic context.

  5. Radiation balance at the surface in the city of São Paulo, Brazil: diurnal and seasonal variations

    NARCIS (Netherlands)

    Ferreira, M.J.; Oliveira, de A.P.; Soares, J.; Codato, G.; Wilde Barbaro, E.; Escobedo, J.F.

    2012-01-01

    The main goal of this work is to describe the diurnal and seasonal variations of the radiation balance components at the surface in the city of São Paulo based on observations carried out during 2004. Monthly average hourly values indicate that the amplitudes of the diurnal cycles of net radiation

  6. Ab initio potential energy and dipole moment surfaces for CS2: determination of molecular vibrational energies.

    Science.gov (United States)

    Pradhan, Ekadashi; Carreón-Macedo, José-Luis; Cuervo, Javier E; Schröder, Markus; Brown, Alex

    2013-08-15

    The ground state potential energy and dipole moment surfaces for CS2 have been determined at the CASPT2/C:cc-pVTZ,S:aug-cc-pV(T+d)Z level of theory. The potential energy surface has been fit to a sum-of-products form using the neural network method with exponential neurons. A generic interface between neural network potential energy surface fitting and the Heidelberg MCTDH software package is demonstrated. The potential energy surface has also been fit using the potfit procedure in MCTDH. For fits to the low-energy regions of the potential, the neural network method requires fewer parameters than potfit to achieve high accuracy; global fits are comparable between the two methods. Using these potential energy surfaces, the vibrational energies have been computed for the four most abundant CS2 isotopomers. These results are compared to experimental and previous theoretical data. The current potential energy surfaces are shown to accurately reproduce the low-lying vibrational energies within a few wavenumbers. Hence, the potential energy and dipole moments surfaces will be useful for future study on the control of quantum dynamics in CS2.

  7. Spatial distribution, temporal variation and risks of parabens and their chlorinated derivatives in urban surface water in Beijing, China

    Energy Technology Data Exchange (ETDEWEB)

    Li, Wenhui; Gao, Lihong [School of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Shi, Yali; Wang, Yuan [State Key Laboratory of Environmental Chemistry and Ecotoxicology, Research Center for Eco-Environmental Science, Chinese Academy of Sciences, Beijing 100085 (China); Liu, Jiemin, E-mail: liujm@ustb.edu.cn [School of Chemistry and Biological Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Cai, Yaqi, E-mail: caiyaqi@rcees.ac.cn [State Key Laboratory of Environmental Chemistry and Ecotoxicology, Research Center for Eco-Environmental Science, Chinese Academy of Sciences, Beijing 100085 (China)

    2016-01-01

    The occurrence and distribution of 13 target compounds, including eight parabens, four chlorinated parabens and p-hydroxybenzoic acid (PHBA), were detected in surface water samples at 35 sampling sites in the Beijing River system, China. The surface water samples were collected from the main rivers and lakes in the urban area monthly from July 2013 to June 2014 (except the frozen period). Laboratory analyses revealed that parabens were ubiquitous in the surface water of Beijing. PHBA was the predominant compound in the surface water samples, with the average concentration of 239 ng L{sup −1}, followed by the total amount of chlorinated parabens (average 50.1 ng/L) and parabens (average 44.3 ng/L). It is noteworthy that octylparaben with longer chain was firstly detected in the surface water. Significant difference was observed for paraben concentrations from different sampling sites, and the highest level of parabens was found in the Xiaotaihou River, which was mainly due to the untreated sewage discharge. Seasonal variation of target compounds in the urban surface water was also studied, and parabens exhibited a different temporal variation from chlorinated derivatives. A combination of factors including high residual chlorine level and water temperature as well as intense ultraviolet radiation might enhance the persistence of chlorinated parabens in chlorinated water during the wet season. Risk assessment showed that parabens and their chlorinated derivatives are not likely to produce biological effects on aquatic ecosystems at current levels in the surface water of Beijing. - Highlights: • Parabens and chlorinated parabens are ubiquitous in surface water in Beijing. • Octylparaben with longer chain was firstly detected in surface water. • Untreated sewage discharge was the main source of parabens in river. • Parabens exhibited a different seasonal variation from chlorinated derivatives. • The risks of target compounds are negligible at

  8. Candida albicans CUG mistranslation is a mechanism to create cell surface variation.

    Science.gov (United States)

    Miranda, Isabel; Silva-Dias, Ana; Rocha, Rita; Teixeira-Santos, Rita; Coelho, Carolina; Gonçalves, Teresa; Santos, Manuel A S; Pina-Vaz, Cidália; Solis, Norma V; Filler, Scott G; Rodrigues, Acácio G

    2013-08-30

    In the human fungal pathogen Candida albicans, the CUG codon is translated 97% of the time as serine and 3% of the time as leucine, which potentially originates an array of proteins resulting from the translation of a single gene. Genes encoding cell surface proteins are enriched in CUG codons; thus, CUG mistranslation may influence the interactions of the organism with the host. To investigate this, we compared a C. albicans strain that misincorporates 28% of leucine at CUGs with a wild-type parental strain. The first strain displayed increased adherence to inert and host molecules. In addition, it was less susceptible to phagocytosis by murine macrophages, probably due to reduced exposure of cell surface β-glucans. To prove that these phenotypes occurred due to serine/leucine exchange, the C. albicans adhesin and invasin ALS3 was expressed in Saccharomyces cerevisiae in its two natural isoforms (Als3p-Leu and Als3p-Ser). The cells with heterologous expression of Als3p-Leu showed increased adherence to host substrates and flocculation. We propose that CUG mistranslation has been maintained during the evolution of C. albicans due to its potential to generate cell surface variability, which significantly alters fungus-host interactions. The translation of genetic information into proteins is a highly accurate cellular process. In the human fungal pathogen Candida albicans, a unique mistranslation event involving the CUG codon occurs. The CUG codon is mainly translated as serine but can also be translated as leucine. Leucine and serine are two biochemically distinct amino acids, hydrophobic and hydrophilic, respectively. The increased rate of leucine incorporation at CUG decoding triggers C. albicans virulence attributes, such as morphogenesis, phenotypic switching, and adhesion. Here, we show that CUG mistranslation masks the fungal cell wall molecule β-glucan that is normally recognized by the host immune system, delaying its response. Furthermore, we demonstrate

  9. Leishmania-specific surface antigens show sub-genus sequence variation and immune recognition.

    Directory of Open Access Journals (Sweden)

    Daniel P Depledge

    2010-09-01

    Full Text Available A family of hydrophilic acylated surface (HASP proteins, containing extensive and variant amino acid repeats, is expressed at the plasma membrane in infective extracellular (metacyclic and intracellular (amastigote stages of Old World Leishmania species. While HASPs are antigenic in the host and can induce protective immune responses, the biological functions of these Leishmania-specific proteins remain unresolved. Previous genome analysis has suggested that parasites of the sub-genus Leishmania (Viannia have lost HASP genes from their genomes.We have used molecular and cellular methods to analyse HASP expression in New World Leishmania mexicana complex species and show that, unlike in L. major, these proteins are expressed predominantly following differentiation into amastigotes within macrophages. Further genome analysis has revealed that the L. (Viannia species, L. (V. braziliensis, does express HASP-like proteins of low amino acid similarity but with similar biochemical characteristics, from genes present on a region of chromosome 23 that is syntenic with the HASP/SHERP locus in Old World Leishmania species and the L. (L. mexicana complex. A related gene is also present in Leptomonas seymouri and this may represent the ancestral copy of these Leishmania-genus specific sequences. The L. braziliensis HASP-like proteins (named the orthologous (o HASPs are predominantly expressed on the plasma membrane in amastigotes and are recognised by immune sera taken from 4 out of 6 leishmaniasis patients tested in an endemic region of Brazil. Analysis of the repetitive domains of the oHASPs has shown considerable genetic variation in parasite isolates taken from the same patients, suggesting that antigenic change may play a role in immune recognition of this protein family.These findings confirm that antigenic hydrophilic acylated proteins are expressed from genes in the same chromosomal region in species across the genus Leishmania. These proteins are

  10. Construction of Potential Energy Surfaces for Theoretical Studies of Spectroscopy and Dynamics

    Science.gov (United States)

    Dawes, Richard

    2015-06-01

    Accurate potential energy surfaces (PESs) combined with methods to solve the Schrödinger equation for the nuclei permit the prediction and interpretation of various types of molecular spectra and/or dynamics. Part of this talk describes the development of a PES generator (software code) which uses parallel processing on High-Performance Computing (HPC) clusters to construct PESs automatically. Thousands of ab initio data are computed at geometries chosen by an algorithm and fit to a functional form. This strategy is particularly successful when the electronic structure is robustly convergent (such as vdWs systems composed of two closed-shell monomers). Results for a few of such systems [e.g., (CO)2, (NNO)2, CO2-CS2, (OCS)2] will be presented. The electronic structure of molecules is difficult to describe continuously across global reactive PESs since it changes qualitatively as bonds are formed and broken along reaction coordinates. I will discuss a high-level ab initio method (GDW-SA-CASSCF/MRCI) designed to allow the electronic wavefunction to smoothly evolve across the PES and provide an accurate and balanced description of the various regions. These methods are combined to study a number of small gas-phased molecules from the areas of atmospheric, combustion and interstellar chemistry including a large variational calculation of all the bound vibrational states of ozone and the photodissociation dynamics of the simplest Criegee intermediate (CH2OO).

  11. Impacts of early autumn Arctic sea ice concentration on subsequent spring Eurasian surface air temperature variations

    Science.gov (United States)

    Chen, Shangfeng; Wu, Renguang

    2017-11-01

    This study reveals a close relation between autumn Arctic sea ice change (SIC) in the Laptev Sea-eastern Siberian Sea-Beaufort Sea and subsequent spring Eurasian surface air temperature (SAT) variation. Specifically, more (less) SIC over the above regions in early autumn generally correspond to SAT warming (cooling) over the mid-high latitudes of Eurasia during subsequent spring. Early autumn Arctic SIC affects spring Eurasian SAT via modulating spring Arctic Oscillation (AO) associated atmospheric changes. The meridional temperature gradient over the mid-high latitudes decreases following the Arctic sea ice loss. This results in deceleration of prevailing westerly winds over the mid-latitudes of the troposphere, which leads to increase in the upward propagation of planetary waves and associated Eliassen-Palm flux convergence in the stratosphere over the mid-high latitudes. Thereby, westerly winds in the stratosphere are reduced and the polar vortex is weakened. Through the wave-mean flow interaction and downward propagation of zonal wind anomalies, a negative spring AO pattern is formed in the troposphere, which favors SAT cooling over Eurasia. The observed autumn Arctic SIC-spring Eurasian SAT connection is reproduced in the historical simulation (1850-2005) of the flexible global ocean-atmosphere-land system model, spectral version 2 (FGOALS-s2). The FGOALS-s2 also simulates the close connection between autumn SIC and subsequent spring AO. Further analysis suggests that the prediction skill of the spring Eurasian SAT was enhanced when taking the autumn Arctic SIC signal into account.

  12. Establishing geochemical background variation and threshold values for 59 elements in Australian surface soil.

    Science.gov (United States)

    Reimann, Clemens; de Caritat, Patrice

    2017-02-01

    During the National Geochemical Survey of Australia over 1300 top (0-10cm depth) and bottom (~60-80cm depth) sediment samples (including ~10% field duplicates) were collected from the outlet of 1186 catchments covering 81% of the continent at an average sample density of 1 site/5200km 2 . The Australian surface soil. Different methods of obtaining geochemical threshold values, which differentiate between background and those samples with unusually high element concentrations and requiring attention, are presented and compared to Western Australia's 'ecological investigation levels' (EILs) established for 14 PTEs. For Mn and V these EILs are so low that an unrealistically large proportion (~24%) of the sampled sites would need investigation in Australia. For the 12 remaining elements (As, Ba, Cd, Co, Cr, Cu, Hg, Mo, Ni, Pb, Sn and Zn) few sample sites require investigation and as most of these are located far from human activity centres, they potentially suggest either minor local contamination or mineral exploration potential rather than pollution. No major diffuse source of contamination by PTEs affects Australian soil at the continental scale. Of the statistical methods used to establish geochemical threshold values, the most pertinent results come from identifying breaks in cumulative probability distributions, the Tukey inner fence and the 98th percentile. Geochemical threshold values for 59 elements, including emerging 'high-tech' critical elements such as lanthanides, Be, Ga or Ge, for which no EILs currently exist, are presented. Crown Copyright © 2016. Published by Elsevier B.V. All rights reserved.

  13. Widespread sequence variations in VAMP1 across vertebrates suggest a potential selective pressure from botulinum neurotoxins.

    Directory of Open Access Journals (Sweden)

    Lisheng Peng

    2014-07-01

    Full Text Available Botulinum neurotoxins (BoNT/A-G, the most potent toxins known, act by cleaving three SNARE proteins required for synaptic vesicle exocytosis. Previous studies on BoNTs have generally utilized the major SNARE homologues expressed in brain (VAMP2, syntaxin 1, and SNAP-25. However, BoNTs target peripheral motor neurons and cause death by paralyzing respiratory muscles such as the diaphragm. Here we report that VAMP1, but not VAMP2, is the SNARE homologue predominantly expressed in adult rodent diaphragm motor nerve terminals and in differentiated human motor neurons. In contrast to the highly conserved VAMP2, BoNT-resistant variations in VAMP1 are widespread across vertebrates. In particular, we identified a polymorphism at position 48 of VAMP1 in rats, which renders VAMP1 either resistant (I48 or sensitive (M48 to BoNT/D. Taking advantage of this finding, we showed that rat diaphragms with I48 in VAMP1 are insensitive to BoNT/D compared to rat diaphragms with M48 in VAMP1. This unique intra-species comparison establishes VAMP1 as a physiological toxin target in diaphragm motor nerve terminals, and demonstrates that the resistance of VAMP1 to BoNTs can underlie the insensitivity of a species to members of BoNTs. Consistently, human VAMP1 contains I48, which may explain why humans are insensitive to BoNT/D. Finally, we report that residue 48 of VAMP1 varies frequently between M and I across seventeen closely related primate species, suggesting a potential selective pressure from members of BoNTs for resistance in vertebrates.

  14. Effects of flexoelectricity and surface elasticity on piezoelectric potential in a bent ZnO nanowire

    Science.gov (United States)

    Zhang, Shuangzhe; Yao, Haiyan; Fan, Wenliang; Hao, Yu; Wu, Xudong; Hou, Dongyuan

    2017-01-01

    In this work, a rapid model is established to study the effects of flexoelectricity and surface elasticity on the piezoelectric potential of a bent ZnO nanowire. Based on the piezoelectric theory and core-surface model, the distribution of piezoelectric potential of the ZnO nanowire is investigated. The analytical solution shows that the flexoelectricity and surface elasticity both significantly influence the piezoelectric potential. However, the effect of flexoelectricity is longitudinal dependent, which vanishes on the top side of nanowire, but only left surface elasticity effect on the potential. Simulation results show that the maximum value of potential on the top side of nanowire is about ± 220.5mV, of which result is lower compared to other theoretical models, but it should be more reasonable.

  15. Analysis of genetic variation and potential applications in genome-scale metabolic modeling

    Directory of Open Access Journals (Sweden)

    João Gonçalo Rocha Cardoso

    2015-02-01

    Full Text Available Genetic variation is the motor of evolution and allows organisms to overcome the environmental challenges they encounter. It can be both beneficial and harmful in the process of engineering cell factories for the production of proteins and chemicals. Throughout the history of biotechnology, there have been efforts to exploit genetic variation in our favor to create strains with favorable phenotypes. Genetic variation can either be present in natural populations or it can be artificially created by mutagenesis and selection or adaptive laboratory evolution. On the other hand, unintended genetic variation during a long term production process may lead to significant economic losses and it is important to understand how to control this type of variation. With the emergence of next-generation sequencing technologies, genetic variation in microbial strains can now be determined on an unprecedented scale and resolution by re-sequencing thousands of strains systematically. In this article, we review challenges in the integration and analysis of large-scale re-sequencing data, present an extensive overview of bioinformatics methods for predicting the effects of genetic variants on protein function, and discuss approaches for interfacing existing bioinformatics approaches with genome-scale models of cellular processes in order to predict effects of sequence variation on cellular phenotypes.

  16. Potential sputtering from a Si surface by very highly charged ion impact

    International Nuclear Information System (INIS)

    Tona, Masahide; Watanabe, Hirofumi; Takahashi, Satoshi; Nakamura, Nobuyuki; Yoshiyasu, Nobuo; Sakurai, Makoto; Yamada, Chikashi; Ohtani, Shunsuke

    2007-01-01

    We have observed radiation effect in collision of slow highly charged ions with the following target materials; a SiO 2 thin film, a Si(1 1 1)-(7 x 7) surface and a hydrogen terminated Si(1 1 1)-(1 x 1) surface. Secondary ion mass spectrometry and scanning tunneling microscopy revealed some features due to 'potential sputtering'; (a) strong dependence of secondary particle emission on the surface condition, (b) high yield of positive ion emission including cluster fragments and (c) creation of nanometer sized surface structure. The mechanism for the potential sputtering is briefly discussed, based on the 'Coulomb explosion' model

  17. Cardiac Body Surface Potentials in Rats with Experimental Pulmonary Hypertension during Ventricular Depolarization.

    Science.gov (United States)

    Suslonova, O V; Smirnova, S L; Roshchevskaya, I M

    2016-11-01

    The spatial and the amplitude-temporal parameters of cardiac body surface potentials were examined in female Wistar rats with experimental pulmonary hypertension during ventricular depolarization. The cardiac body surface potentials have been led from 64 subcutaneous electrodes evenly distributed across the chest surface prior to and 4 weeks after subcutaneous injection of a single dose of monocrotaline (60 mg/kg). Right ventricular hypertrophy and electrophysiological remodeling of the heart developed in rats with experimental pulmonary hypertension in 4 weeks after monocrotaline injection; these changes led to a significant increase in amplitude and temporal characteristics of the cardioelectric field on the body surface in comparison with the initial state.

  18. Ground state potential energy surfaces around selected atoms from resonant inelastic x-ray scattering.

    Science.gov (United States)

    Schreck, Simon; Pietzsch, Annette; Kennedy, Brian; Såthe, Conny; Miedema, Piter S; Techert, Simone; Strocov, Vladimir N; Schmitt, Thorsten; Hennies, Franz; Rubensson, Jan-Erik; Föhlisch, Alexander

    2016-01-29

    Thermally driven chemistry as well as materials' functionality are determined by the potential energy surface of a systems electronic ground state. This makes the potential energy surface a central and powerful concept in physics, chemistry and materials science. However, direct experimental access to the potential energy surface locally around atomic centers and to its long-range structure are lacking. Here we demonstrate how sub-natural linewidth resonant inelastic soft x-ray scattering at vibrational resolution is utilized to determine ground state potential energy surfaces locally and detect long-range changes of the potentials that are driven by local modifications. We show how the general concept is applicable not only to small isolated molecules such as O2 but also to strongly interacting systems such as the hydrogen bond network in liquid water. The weak perturbation to the potential energy surface through hydrogen bonding is observed as a trend towards softening of the ground state potential around the coordinating atom. The instrumental developments in high resolution resonant inelastic soft x-ray scattering are currently accelerating and will enable broad application of the presented approach. With this multidimensional potential energy surfaces that characterize collective phenomena such as (bio)molecular function or high-temperature superconductivity will become accessible in near future.

  19. Analysis of genetic variation and potential applications in genome-scale metabolic modeling

    DEFF Research Database (Denmark)

    Cardoso, Joao; Andersen, Mikael Rørdam; Herrgard, Markus

    2015-01-01

    , there have been efforts to exploit genetic variation in our favor to create strains with favorable phenotypes. Genetic variation can either be present in natural populations or it can be artificially created by mutagenesis and selection or adaptive laboratory evolution. On the other hand, unintended genetic......Genetic variation is the motor of evolution and allows organisms to overcome the environmental challenges they encounter. It can be both beneficial and harmful in the process of engineering cell factories for the production of proteins and chemicals. Throughout the history of biotechnology...

  20. Genetics in endocrinology: genetic variation in deiodinases: a systematic review of potential clinical effects in humans

    NARCIS (Netherlands)

    Verloop, H.; Dekkers, O.M.; Peeters, R.P.; Schoones, J.W.; Smit, J.W.

    2014-01-01

    Iodothyronine deiodinases represent a family of selenoproteins involved in peripheral and local homeostasis of thyroid hormone action. Deiodinases are expressed in multiple organs and thyroid hormone affects numerous biological systems, thus genetic variation in deiodinases may affect multiple

  1. Poloidal density variation of impurities in a rotating tokamak plasma - flux surface coordinates and effect on transport coefficients

    International Nuclear Information System (INIS)

    Romanelli, M.

    1999-09-01

    The poloidal variation of impurity densities over magnetic surfaces brings about an enhancement of neoclassical transport coefficients, as shown by Romanelli and Ottaviani for impurities in the Pfirsch Schlueter regime and by Helander for particles in the banana-plateau regime, both in a large aspect ratio tokamak. The same effect will occur in a finite aspect ratio tokamak and therefore it is considered to be relevant for inclusion in transport codes for comparison with the experimental measurements of impurity transport. Here an expression for the impurity-density poloidal-variation generated by the fast toroidal rotation of the plasma column is presented in general coordinates. (author)

  2. Seasonal and spatial variations in microbial activity at various phylogenetic resolutions at a groundwater – surface water interface

    DEFF Research Database (Denmark)

    Yu, Ran; Smets, Barth F.; Gan, Ping

    2014-01-01

    We investigated the seasonal and spatial variation in activity and density of the metabolically active in situ microbial community (AIMC) at a landfill leachate-impacted groundwater – surface water interface (GSI). A series of AIMC traps were designed and implemented for AIMC sampling and microbial...... analysis. Consistently higher microbial activities with less variation in depth were measured in the AIMC traps than in the ambient sediments. Flood disturbance appeared to control AIMC activity distributions at the gradually elevated GSI. The highest AIMC activities were generally obtained from locations...

  3. Characterization and potential functional significance of human-chimpanzee large INDEL variation

    Directory of Open Access Journals (Sweden)

    Polavarapu Nalini

    2011-10-01

    Full Text Available Abstract Background Although humans and chimpanzees have accumulated significant differences in a number of phenotypic traits since diverging from a common ancestor about six million years ago, their genomes are more than 98.5% identical at protein-coding loci. This modest degree of nucleotide divergence is not sufficient to explain the extensive phenotypic differences between the two species. It has been hypothesized that the genetic basis of the phenotypic differences lies at the level of gene regulation and is associated with the extensive insertion and deletion (INDEL variation between the two species. To test the hypothesis that large INDELs (80 to 12,000 bp may have contributed significantly to differences in gene regulation between the two species, we categorized human-chimpanzee INDEL variation mapping in or around genes and determined whether this variation is significantly correlated with previously determined differences in gene expression. Results Extensive, large INDEL variation exists between the human and chimpanzee genomes. This variation is primarily attributable to retrotransposon insertions within the human lineage. There is a significant correlation between differences in gene expression and large human-chimpanzee INDEL variation mapping in genes or in proximity to them. Conclusions The results presented herein are consistent with the hypothesis that large INDELs, particularly those associated with retrotransposons, have played a significant role in human-chimpanzee regulatory evolution.

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

    DEFF Research Database (Denmark)

    Olsen, Thomas; Gavnholt, Jeppe; Schiøtz, Jakob

    2009-01-01

    We present a model for desorption induced by (multiple) electronic transitions [DIET (DIMET)] based on potential energy surfaces calculated with the delta self-consistent field extension of density-functional theory. We calculate potential energy surfaces of CO and NO molecules adsorbed on various...... transition-metal surfaces and show that classical nuclear dynamics does not suffice for propagation in the excited state. We present a simple Hamiltonian describing the system with parameters obtained from the excited-state potential energy surface and show that this model can describe desorption dynamics...... in both the DIET and DIMET regimes and reproduce the power-law behavior observed experimentally. We observe that the internal stretch degree of freedom in the molecules is crucial for the energy transfer between the hot electrons and the molecule when the coupling to the surface is strong....

  5. [The relationship between the variation rate of MODIS land surface temperature and AMSR-E soil moisture and its application to downscaling].

    Science.gov (United States)

    Wang, An-Qi; Xie, Chao; Shi, Jian-Cheng; Gong, Hui-Li

    2013-03-01

    Using AMSR-E soil moisture, MODIS land surface temperature (Ts) and vegetation index product, the authors discuss the relationship between the variation rate of land surface temperature and surface soil moisture. Selecting the plains region of central United States as the study area, the authors propose the distribution triangle of the variation rate of land surface temperature and soil moisture. In the present paper, temperature variation and vegetation index (TVVI), a new index containing the information of temperature variation and vegetation, is introduced. The authors prove that TVVI and soil moisture show a steady relationship of exponential function; and build a quantitative model of soil moisture(SM) and instantaneous surface temperature variation (VTs). The authors later achieve downscaling of AMSR-E soil moisture data, through the above stated functional relationships and high-resolution MODIS data. Comparison with measured data on ground surface indicates that this method of downscaling is of high precision

  6. Surface potential effects in low-energy current image diffraction patterns observed on the Al(001) surface

    International Nuclear Information System (INIS)

    Fine structure observed in high-resolution low-energy electron diffraction (LEED) measurements near the energy threshold for emergence of new beams has been attributed to surface barrier effects. Recently, the surface barrier has been suggested as the source of the fine structure observed in current image diffraction (CID) patterns obtained by rastering the primary beam across an Al(001) crystal surface at a constant energy. This suggestion was based on kinematic arguments which correlated the emergence angle for a new electron beam with the observed structure in the CID pattern. In this work, the angular dependence of the elastic component of the total crystal reflectivity is calculated at constant energy. The calculations are based on full dynamical theories such as used in LEED but incorporating different surface barrier models to account for the saturating image potential. The results are compared with the experimental CID results

  7. Population variation in anti-S. aureus IgG isotypes influences surface protein A mediated immune subversion.

    Science.gov (United States)

    Whitehouse, Julia; Flaxman, Amy; Rollier, Christine; O'Shea, Matthew K; Fallowfield, Joanne; Lindsay, Michael; Gunner, Frances; Knox, Kyle; Wyllie, David H; Yamaguchi, Yuko

    2016-04-04

    Staphylococcus aureus is a pathogen which causes life-threatening infection, the incidence of which rises during adult life. This, together with the emergence of drug-resistant strains and the expansion of more susceptible elderly populations, represents the rationale for the ongoing development of S. aureus vaccines targeting adult populations. Humoral responses to S. aureus naturally develop early in life, influence susceptibility to infection, and potentially influence the effect of vaccination. Despite this, the nature of pre-existing anti-S. aureus antibodies in healthy adult populations is not fully characterised. Immunoglobulin levels against S. aureus surface antigens were measured by a filter membrane enzyme-linked immunosorbent assay using fixed ΔSpA S. aureus as an antigen in serum samples obtained from three clinical cohorts comprising 133 healthy adult volunteers from 19 to 65 years of age. Functional capacity of antibody was also assessed, using antibody-mediated attachment of FITC-stained S. aureus to differentiated HL-60 cells. Wide variation in the concentrations of immunoglobulins recognising S. aureus surface antigens was observed among individuals in all three cohorts. There was a decline of anti-S. aureus IgG1 with age, and a similar trend was observed in IgM, but not in IgA or other IgG sub-classes. Antibody mediated bacterial attachment to cells was associated with IgG1 and IgG3 concentrations in serum. The presence of SpA on the bacterial cell surface reduced antibody-mediated binding of bacteria to phagocytes in serum with low, but not high, levels of naturally occurring anti-S. aureus IgG3 antibodies. Naturally acquired immunoglobulin responses to S. aureus are heterogeneous in populations and their concentrations alter during adulthood. Elevated IgG1 or IgG3 titres against S. aureus enhance S. aureus recognition by phagocytosis and may be correlates of natural protection and/or vaccine efficacy in adult populations. Copyright © 2016 The

  8. Predicting Indian Summer Monsoon onset through variations of surface air temperature and relative humidity

    Science.gov (United States)

    Stolbova, Veronika; Surovyatkina, Elena; Kurths, Jurgen

    2015-04-01

    Indian Summer Monsoon (ISM) rainfall has an enormous effect on Indian agriculture, economy, and, as a consequence, life and prosperity of more than one billion people. Variability of the monsoonal rainfall and its onset have a huge influence on food production, agricultural planning and GDP of the country, which on 22% is determined by agriculture. Consequently, successful forecasting of the ISM onset is a big challenge and large efforts are being put into it. Here, we propose a novel approach for predictability of the ISM onset, based on critical transition theory. The ISM onset is defined as an abrupt transition from sporadious rainfall to spatially organized and temporally sustained rainfall. Taking this into account, we consider the ISM onset as is a critical transition from pre-monsoon to monsoon, which take place in time and also in space. It allows us to suggest that before the onset of ISM on the Indian subcontinent should be areas of critical behavior where indicators of the critical transitions can be detected through an analysis of observational data. First, we identify areas with such critical behavior. Second, we use detected areas as reference points for observation locations for the ISM onset prediction. Third, we derive a precursor for the ISM onset based on the analysis of surface air temperature and relative humidity variations in these reference points. Finally, we demonstrate the performance of this precursor on two observational data sets. The proposed approach allows to determine ISM onset in advance in 67% of all considered years. Our proposed approach is less effective during the anomalous years, which are associated with weak/strong monsoons, e.g. El-Nino, La-Nina or positive Indian Ocean Dipole events. The ISM onset is predicted for 23 out of 27 normal monsoon years (85%) during the past 6 decades. In the anomalous years, we show that time series analysis in both areas during the pre-monsoon period reveals indicators whether the

  9. Sea-surface salinity variations in the northern Caribbean Sea across the Mid-Pleistocene Transition

    Directory of Open Access Journals (Sweden)

    S. Sepulcre

    2011-02-01

    Full Text Available By reconstructing past hydrologic variations in the Northern Caribbean Sea and their influence on the stability of the Atlantic Meridional Overturning Circulation (AMOC during the last 940 ka, we seek to document climate changes in this tropical area in response to the Mid-Pleistocene Transition (MPT. Using core MD03-2628, we estimated past changes in sea surface salinity (SSS using Δδ18O, the difference between the modern, and the past δ18O of seawater (obtained by combining alkenone thermometer data with the δ18O of the planktonic foraminifera Globigerinoides rube (white and corrected for ice-sheet volume effects. Today, the lowest SSS values in the area studied are associated with the northernmost location of the Inter-Tropical Convergence Zone (ITCZ. The Δδ18O record obtained from core MD03-2628 exhibits glacial/interglacial cyclicity with higher values during all glacial periods spanning the last 940 ka, indicating increased SSS. A long-term trend was also observed in the Δδ18O values that exhibited a shift toward lower values for interglacial periods during the last 450 ka, as compared to interglacial stages older than 650 ka. A rise in SSS during glacial stages may be related to the southernmost location of the ITCZ, which is induced by a steeper cross-equator temperature gradient and associated with reduced northward cross-equatorial oceanic transport. Therefore, the results suggest a permanent link between the tropical salinity budget and the AMOC during the last 940 ka. Following the MPT, lower salinities during the last five interglacial stages indicated a northernmost ITCZ location that was forced by changes in the cross-equator temperature gradient and that was associated with the poleward position of Southern Oceanic Fronts that amplify the transport of heat and moisture to the North Atlantic. These processes may have contributed to the amplification of the

  10. Mixed Potential Energy Surfaces of the Ultrafast Isomerization of Retinal in Bacteriorhodopsin

    OpenAIRE

    Prokhorenko Valentyn I.; Morizumi Takefumi; Halpin Alexei; Johnson Philip J. M.; Ernst Oliver P.; Dwayne Miller R. J.

    2013-01-01

    We observe, using electronic two-dimensional photon echo spectroscopy, that the cis and trans potential energy surfaces of the ultrafast isomerization of retinal in bacteriorhodopsin are mixed via the hydrogen out of plane (HOOP) mode.

  11. Mixed Potential Energy Surfaces of the Ultrafast Isomerization of Retinal in Bacteriorhodopsin

    Directory of Open Access Journals (Sweden)

    Prokhorenko Valentyn I.

    2013-03-01

    Full Text Available We observe, using electronic two-dimensional photon echo spectroscopy, that the cis and trans potential energy surfaces of the ultrafast isomerization of retinal in bacteriorhodopsin are mixed via the hydrogen out of plane (HOOP mode.

  12. Quantum Nuclear Extension of Electron Nuclear Dynamics on Folded Effective-Potential Surfaces

    DEFF Research Database (Denmark)

    Hall, B.; Deumens, E.; Ohrn, Y.

    2014-01-01

    A perennial problem in quantum scattering calculations is accurate theoretical treatment of low energy collisions. We propose a method of extracting a folded, nonadiabatic, effective potential energy surface from electron nuclear dynamics (END) trajectories; we then perform nuclear wave packet...

  13. a Study on Variations of Shoreline Changes and Temporal-Spatial Potentiality for Cloud Seeding at Urumia Lake

    Science.gov (United States)

    Agha Taher, R.; Jafari, M.; Fallah, M.; Alavi, A.

    2015-12-01

    Protecting the living environment has become one of the greatest human concerns; sudden increase of population, industry and technology development, unrestrained over consumption of the citizens and climate changes, have all caused many problems for mankind. Shores are special zones that are in contact with three Atmosphere, Hydrosphere and Lithosphere environments of earth. Shore lines are of the most important linear features of the earth's surface which have an animated and alive nature. In this regard, optimized management of the shores and environmental protection for stable development require observing the shorelines and their variations. Protection of shorelines within appropriate time periods is of high importance for the purpose of optimized management of the shores. The twenty first century has been called the era of information explosion. A time that, through benefits of new technologies, information experts attempt to generate more and up to date information in various fields and to provide them for managers and decision makers in order to be considered for future planning and also to assist the planners to arrange and set a comprehensive plan. Aerial images and remote sensing technology are economic methods to acquire the required data. Such methods are free from common time and place limitations in survey based methods. Among remote sensing data, the ones acquired from optical images have several benefits which include low cost, interpretation simplicity and ease of access. That is why most of the researches concerning extraction of shorelines are practiced using optical images. On the other hand, wide range coverage of satellite images along with rapid access to them caused these images to be used extensively for extracting the shorelines. The attempt in this research is to use satellite images and their application in order to study variations of the shorelines. Thus, for this purpose, Landsat satellite images from TM and ETM+ sensors in the 35

  14. First Principle Calculation of Electronic, Optical Properties and Photocatalytic Potential of CuO Surfaces

    OpenAIRE

    Ahmad, Faozan

    2016-01-01

    We have performed DFT calculations of electronic structure, optical properties and photocatalytic potential of the low-index surfaces of CuO. Photocatalytic reaction on the surface of semiconductor requires the appropriate band edge of the semiconductor surface to drive redox reactions. The calculation begins with the electronic structure of bulk system; it aims to determine realistic input parameters and band gap prediction. CuO is an antiferromagnetic material with strong electronic correla...

  15. High-frequency pressure variations in the vicinity of a surface CO2 flux chamber

    Science.gov (United States)

    Eugene S. Takle; James R. Brandle; R. A. Schmidt; Rick Garcia; Irina V. Litvina; William J. Massman; Xinhua Zhou; Geoffrey Doyle; Charles W. Rice

    2003-01-01

    We report measurements of 2Hz pressure fluctuations at and below the soil surface in the vicinity of a surface-based CO2 flux chamber. These measurements were part of a field experiment to examine the possible role of pressure pumping due to atmospheric pressure fluctuations on measurements of surface fluxes of CO2. Under the moderate wind speeds, warm temperatures,...

  16. Ion-step method for surface potential sensing of silicon nanowires

    NARCIS (Netherlands)

    Chen, S.; van Nieuwkasteele, Jan William; van den Berg, Albert; Eijkel, Jan C.T.

    2016-01-01

    This paper presents a novel stimulus-response method for surface potential sensing of silicon nanowire (Si NW) field-effect transistors. When an "ion-step" from low to high ionic strength is given as a stimulus to the gate oxide surface, an increase of double layer capacitance is therefore expected.

  17. The sand extraction potential of embedded land surface lowering in the Netherlands

    NARCIS (Netherlands)

    Meulen, M.J. van der; Kleine, M.P.E. de; Veldkamp, J.G.; Dubelaar, C.W.; Pietersen, H.S.

    2004-01-01

    In the Netherlands, mineral extraction by means of dredging or quarrying meets with considerable societal resistance. Land surface lowering prior to large land reconstruction projects may raise fewer objections. We have calculated the potential yields of sand and gravel from land surface lowering

  18. The sand extraction potential of embedded land surface lowering in the Netherlands

    NARCIS (Netherlands)

    Van der Meulen, M.J.; De Kleine, M.P.E.; Veldkamp, J.G.; Dubbelaar, C.W.; Pietersen, H.S.

    2004-01-01

    In the Netherlands, mineral extraction by means of dredging or quarrying meets with considerable societal resistance. Land surface lowering prior to large land reconstruction projects may raise fewer objections. We have calculated the potential yields of sand and gravel form land surface lowering

  19. Characterization of the surface of protein-adsorbed dental materials by wetting and streaming potential measurements

    NARCIS (Netherlands)

    Matsumura, H.; Kawasaki, K.; Okumura, N.; Kambara, M.; Norde, W.

    2003-01-01

    In this study we have elucidated the water-wettability and the electrokinetic surface potential of protein-covered dental materials. The proteins used here as typical proteins were human serum albumin and lysozyme from hen*s egg. The wettability (hydrophobicity/hydrophilicity) and the surface

  20. Characterization of the surface of protein-adsorbed dental materials by wetting and streaming potential measurements

    NARCIS (Netherlands)

    Matsumura, H; Kawasaki, K; Okumura, N; Kambara, M; Norde, W

    2003-01-01

    In this study we have elucidated the water-wettability and the electrokinetic surface potential of protein-covered dental materials. The proteins used here as typical proteins were human serum albumin and lysozyme from hen's egg. The wettability (hydrophobicity/hydrophilicity) and the surface

  1. Streaming potential revisited: the influence of convection on the surface conductivity.

    Science.gov (United States)

    Saini, Rakesh; Garg, Abhinandan; Barz, Dominik P J

    2014-09-16

    Electrokinetic phenomena play an important role in the electrical characterization of surfaces. In terms of planar or porous substrates, streaming potential and/or streaming current measurements can be used to determine the zeta potential of the substrates in contact with aqueous electrolytes. In this work, we perform electrical impedance spectroscopy measurements to infer the electrical resistance in a microchannel with the same conditions as for a streaming potential experiment. Novel correlations are derived to relate the streaming current and streaming potential to the Reynolds number of the channel flow. Our results not only quantify the influence of surface conductivity, and here especially the contribution of the stagnant layer, but also reveal that channel resistance and therefore zeta potential are influenced by the flow in the case of low ionic strengths. We conclude that convection can have a significant impact on the electrical double layer configuration which is reflected by changes in the surfaces conductivity.

  2. Influences of the variation in inflow to East Asia on surface ozone over Japan during 1996–2005

    Directory of Open Access Journals (Sweden)

    S. Chatani

    2011-08-01

    Full Text Available Air quality simulations in which the global chemical transport model CHASER and the regional chemical transport model WRF/chem are coupled have been developed to consider the dynamic transport of chemical species across the boundaries of the domain of the regional chemical transport model. The simulation captures the overall seasonal variations of surface ozone, but overestimates its concentration over Japanese populated areas by approximately 20 ppb from summer to early winter. It is deduced that ozone formation around Northeast China and Japan in summer is overestimated in the simulation. On the other hand, the simulation well reproduces the interannual variability and the long-term trend of observed surface ozone over Japan. Sensitivity experiments have been performed to investigate the influence of the variation in inflow to East Asia on the interannual variability and the long-term trend of surface ozone over Japan during 1996–2005. The inflow defined in this paper includes the recirculation of species with sources within the East Asian region as well as the transport of species with sources out of the East Asian region. Results of sensitivity experiments suggest that inflow to East Asia accounts for approximately 30 % of the increasing trend of surface ozone, whereas it has much less influence on the interannual variability of observed surface ozone compared to meteorological processes within East Asia.

  3. Full-dimensional diabatic potential energy surfaces including dissociation: the ²E″ state of NO₃.

    Science.gov (United States)

    Eisfeld, Wolfgang; Vieuxmaire, Olivier; Viel, Alexandra

    2014-06-14

    A scheme to produce accurate full-dimensional coupled diabatic potential energy surfaces including dissociative regions and suitable for dynamical calculations is proposed. The scheme is successfully applied to model the two-sheeted surface of the (2)E″ state of the NO3 radical. An accurate potential energy surface for the NO₃⁻ anion ground state is developed as well. Both surfaces are based on high-level ab initio calculations. The model consists of a diabatic potential matrix, which is expanded to higher order in terms of symmetry polynomials of symmetry coordinates. The choice of coordinates is key for the accuracy of the obtained potential energy surfaces and is discussed in detail. A second central aspect is the generation of reference data to fit the expansion coefficients of the model for which a stochastic approach is proposed. A third ingredient is a new and simple scheme to handle problematic regions of the potential energy surfaces, resulting from the massive undersampling by the reference data unavoidable for high-dimensional problems. The final analytical diabatic surfaces are used to compute the lowest vibrational levels of NO₃⁻ and the photo-electron detachment spectrum of NO₃⁻ leading to the neutral radical in the (2)E″ state by full dimensional multi-surface wave-packet propagation for NO3 performed using the Multi-Configuration Time Dependent Hartree method. The achieved agreement of the simulations with available experimental data demonstrates the power of the proposed scheme and the high quality of the obtained potential energy surfaces.

  4. Measuring variation of indoor radon concentration using bare nuclear tracks detectors, scintillation counters and surface barrier detectors

    International Nuclear Information System (INIS)

    Ishak, I.; Mahat, R.H.; Amin, Y.M.

    1996-01-01

    Bare LRI 15 nuclear track detectors , scintillators counter and surface barrier detectors were used to measured the indoor radon concentration in various location within two rooms. Spatial variation of the radon concentration is caused by positioning of the door, windows, furniture, cracks in the building and also distances from floor, wall and ceiling. It is found that the change in temperature are causing radon concentration to increase at certain time of the day

  5. “Mapping the regional variation in potential vulnerability in Indian ...

    African Journals Online (AJOL)

    GREG

    Percentage of degraded area to total geographical area, (4) Unexploited surface water available for future and (5) Unexploited surface water available for future. The Socio-Economic ... of the total workforce) in spite of the diversification of eco- nomic activity. It is also an important instrument of pover- ty eradication and ...

  6. Seasonal and Spatial Variation of Surface Urban Heat Island Intensity in a Small Urban Agglomerate in Brazil

    Directory of Open Access Journals (Sweden)

    Elis Dener Lima Alves

    2016-12-01

    Full Text Available In recent years, SUHIs (surface urban heat islands have been greatly emphasized in urban climate studies, since it is one of the climate phenomena most influenced by human action. In this study, temporal and spatial variations of SUHIs in the cities of Ceres and Rialma (Brazil were investigated; satellite Landsat 8 TIRS/OLI images from 2013 to 2016 were used for this purpose. The results showed that in all seasons, two relationships were observed, one positive and one negative. An N D V I (Normalized Difference Vegetation Index of 0.2 is the divider of this relationship: up to this value, the relationship is positive, that is, the higher the N D V I value, the higher the surface temperature, while the relationship is negative at an N D V I greater than 0.2. There was high seasonal variation in the SUHIs, with the highest intensities recorded in the spring and summer (±12 °C, and the lowest in the winter. These temporal variations were attributed to the annual cycle of precipitation, which directly involves the robustness of the Cerrado vegetation. SUHIs occupied, on average, an area three times larger than the area of SUCIs (surface urban cool islands. The highest values of SUCIs were observed in water bodies and in valley bottoms. Overall, SUHIs showed high intensities; however, a more intense core area, such as in large cities, was not observed.

  7. Latitudinal variation in genetic divergence of populations and the potential for future speciation.

    Science.gov (United States)

    Martin, Paul R; McKay, John K

    2004-05-01

    The increase in biological diversity with decreasing latitude is widely appreciated but the cause of the pattern is unknown. This pattern reflects latitudinal variation in both the origin of new species (cladogenesis) and the number of species that coexist. Here we address latitudinal variation in species origination, by examining population genetic processes that influence speciation. Previous data suggest a greater number of speciation events at lower latitudes. If speciation events occur more frequently at lower latitudes, we predicted that genetic divergence among populations within species, an important component of cladogenesis, should be greater among lower latitude populations. We tested this prediction using within-species patterns of mtDNA variation across 60 vertebrate species that collectively spanned six continents, two oceans, and 119 degrees latitude. We found greater genetic divergence of populations, controlling for geographic distance, at lower latitudes within species. This pattern remained statistically significant after removing populations that occur in localities previously covered by continental glaciers during the last glaciation. Results suggest that lower latitude populations within species exhibit greater evolutionary independence, increasing the likelihood that mutation, recombination, selection, and/or drift will lead to divergence of traits important for reproductive isolation and speciation. Results are consistent with a greater influence of seasonality, reduced energy, and/or glacial (Milankovitch) cycles acting on higher latitude populations, and represent one of the few tests of predictions of latitudinal variation in speciation rates using population genetic data.

  8. Efficient Geometry Minimization and Transition Structure Optimization Using Interpolated Potential Energy Surfaces and Iteratively Updated Hessians.

    Science.gov (United States)

    Zheng, Jingjing; Frisch, Michael J

    2017-12-12

    An efficient geometry optimization algorithm based on interpolated potential energy surfaces with iteratively updated Hessians is presented in this work. At each step of geometry optimization (including both minimization and transition structure search), an interpolated potential energy surface is properly constructed by using the previously calculated information (energies, gradients, and Hessians/updated Hessians), and Hessians of the two latest geometries are updated in an iterative manner. The optimized minimum or transition structure on the interpolated surface is used for the starting geometry of the next geometry optimization step. The cost of searching the minimum or transition structure on the interpolated surface and iteratively updating Hessians is usually negligible compared with most electronic structure single gradient calculations. These interpolated potential energy surfaces are often better representations of the true potential energy surface in a broader range than a local quadratic approximation that is usually used in most geometry optimization algorithms. Tests on a series of large and floppy molecules and transition structures both in gas phase and in solutions show that the new algorithm can significantly improve the optimization efficiency by using the iteratively updated Hessians and optimizations on interpolated surfaces.

  9. The PyPES library of high quality semi-global potential energy surfaces.

    Science.gov (United States)

    Sibaev, Marat; Crittenden, Deborah L

    2015-11-05

    In this article, we present a Python-based library of high quality semi-global potential energy surfaces for 50 polyatomic molecules with up to six atoms. We anticipate that these surfaces will find widespread application in the testing of new potential energy surface construction algorithms and nuclear ro-vibrational structure theories. To this end, we provide the ability to generate the energy derivatives required for Taylor series expansions to sixth order about any point on the potential energy surface in a range of common coordinate systems, including curvilinear internal, Cartesian, and normal mode coordinates. The PyPES package, along with FORTRAN, C, MATLAB and Mathematica wrappers, is available at http://sourceforge.net/projects/pypes-lib. © 2015 Wiley Periodicals, Inc.

  10. Surface potential measurement of negative-ion-implanted insulators by analysing secondary electron energy distribution

    International Nuclear Information System (INIS)

    Toyota, Yoshitaka; Tsuji, Hiroshi; Nagumo, Syoji; Gotoh, Yasuhito; Ishikawa, Junzo; Sakai, Shigeki.

    1994-01-01

    The negative ion implantation method we have proposed is a noble technique which can reduce surface charging of isolated electrodes by a large margin. In this paper, the way to specify the surface potential of negative-ion-implanted insulators by the secondary electron energy analysis is described. The secondary electron energy distribution is obtained by a retarding field type energy analyzer. The result shows that the surface potential of fused quartz by negative-ion implantation (C - with the energy of 10 keV to 40 keV) is negatively charged by only several volts. This surface potential is extremely low compared with that by positive-ion implantation. Therefore, the negative-ion implantation is a very effective method for charge-up free implantation without charge compensation. (author)

  11. Impact of Surface Soil Moisture Variations on Radar Altimetry Echoes at Ku and Ka Bands in Semi-Arid Areas

    Directory of Open Access Journals (Sweden)

    Christophe Fatras

    2018-04-01

    Full Text Available Radar altimetry provides information on the topography of the Earth surface. It is commonly used for the monitoring not only sea surface height but also ice sheets topography and inland water levels. The radar altimetry backscattering coefficient, which depends on surface roughness and water content, can be related to surface properties such as surface soil moisture content. In this study, the influence of surface soil moisture on the radar altimetry echo and backscattering coefficient is analyzed over semi-arid areas. A semi-empirical model of the soil’s complex dielectric permittivity that takes into account that small-scale roughness and large-scale topography was developed to simulate the radar echoes. It was validated using waveforms acquired at Ku and Ka-bands by ENVISAT RA-2 and SARAL AltiKa respectively over several sites in Mali. Correlation coefficients ranging from 0.66 to 0.94 at Ku-band and from 0.27 to 0.96 at Ka-band were found. The increase in surface soil moisture from 0.02 to 0.4 (i.e., the typical range of variations in semi-arid areas increase the backscattering from 10 to 15 dB between the core of the dry and the maximum of the rainy seasons.

  12. Biofilm formation by Listeria monocytogenes on stainless steel surface and biotransfer potential

    Directory of Open Access Journals (Sweden)

    Maíra Maciel Mattos de Oliveira

    2010-03-01

    Full Text Available An experimental model was proposed to study biofilm formation by Listeria monocytogenes ATCC 19117 on AISI 304 (#4 stainless steel surface and biotransfer potential during this process. In this model, biofilm formation was conducted on the surface of stainless steel coupons, set on a stainless steel base with 4 divisions, each one supporting 21 coupons. Trypic Soy Broth was used as bacterial growth substrate, with incubation at 37 ºC and stirring of 50 rpm. The number of adhered cells was determined after 3, 48, 96, 144, 192 and 240 hours of biofilm formation and biotransfer potential from 96 hours. Stainless steel coupons were submitted to Scanning Electron Microscopy (SEM after 3, 144 and 240 hours. Based on the number of adhered cells and SEM, it was observed that L. monocytogenes adhered rapidly to the stainless steel surface, with mature biofilm being formed after 240 hours. The biotransfer potential of bacterium to substrate occurred at all the stages analyzed. The rapid capacity of adhesion to surface, combined with biotransfer potential throughout the biofilm formation stages, make L. monocytogenes a potential risk to the food industry. Both the experimental model developed and the methodology used were efficient in the study of biofilm formation by L. monocytogenes on stainless steel surface and biotransfer potential.

  13. Infrared spectroscopy of the Ar-C2HD complex: Potential energy surfaces

    International Nuclear Information System (INIS)

    Bemish, R.J.; Miller, R.E.

    1996-01-01

    The argon-acetylene complex has been studied by a number of experimental and theoretical groups, with the aim in mind of determining an accurate potential energy surface for this system. Both microwave and infrared spectroscopy have provided detailed rotational and vibrational constants for this system. In addition, scattering experiments have been reported and ab initio calculation performed. Even with all of this, there are still some fundamental questions that remain unanswered with regards to the shape of the potential surface. The authors will review some of this work to outline the current situation. In the present study, the authors have obtained high resolution infrared spectra of the Ar-C 2 HD complex with the aim of providing additional molecular constants that could be used to help constrain the potential. Collocation calculations are reported, using a number of potential surfaces, for this and the normal isotopomer. This additional data helps to answer some of these open questions

  14. Analysis of the Intra-City Variation of Urban Heat Island and its Relation to Land Surface/cover Parameters

    Science.gov (United States)

    Gerçek, D.; Güven, İ. T.; Oktay, İ. Ç.

    2016-06-01

    Along with urbanization, sealing of vegetated land and evaporation surfaces by impermeable materials, lead to changes in urban climate. This phenomenon is observed as temperatures several degrees higher in densely urbanized areas compared to the rural land at the urban fringe particularly at nights, so-called Urban Heat Island. Urban Heat Island (UHI) effect is related with urban form, pattern and building materials so far as it is associated with meteorological conditions, air pollution, excess heat from cooling. UHI effect has negative influences on human health, as well as other environmental problems such as higher energy demand, air pollution, and water shortage. Urban Heat Island (UHI) effect has long been studied by observations of air temperature from thermometers. However, with the advent and proliferation of remote sensing technology, synoptic coverage and better representations of spatial variation of surface temperature became possible. This has opened new avenues for the observation capabilities and research of UHIs. In this study, "UHI effect and its relation to factors that cause it" is explored for İzmit city which has been subject to excess urbanization and industrialization during the past decades. Spatial distribution and variation of UHI effect in İzmit is analysed using Landsat 8 and ASTER day & night images of 2015 summer. Surface temperature data derived from thermal bands of the images were analysed for UHI effect. Higher temperatures were classified into 4 grades of UHIs and mapped both for day and night. Inadequate urban form, pattern, density, high buildings and paved surfaces at the expanse of soil ground and vegetation cover are the main factors that cause microclimates giving rise to spatial variations in temperatures across cities. These factors quantified as land surface/cover parameters for the study include vegetation index (NDVI), imperviousness (NDISI), albedo, solar insolation, Sky View Factor (SVF), building envelope

  15. ANALYSIS OF THE INTRA-CITY VARIATION OF URBAN HEAT ISLAND AND ITS RELATION TO LAND SURFACE/COVER PARAMETERS

    Directory of Open Access Journals (Sweden)

    D. Gerçek

    2016-06-01

    Full Text Available Along with urbanization, sealing of vegetated land and evaporation surfaces by impermeable materials, lead to changes in urban climate. This phenomenon is observed as temperatures several degrees higher in densely urbanized areas compared to the rural land at the urban fringe particularly at nights, so-called Urban Heat Island. Urban Heat Island (UHI effect is related with urban form, pattern and building materials so far as it is associated with meteorological conditions, air pollution, excess heat from cooling. UHI effect has negative influences on human health, as well as other environmental problems such as higher energy demand, air pollution, and water shortage. Urban Heat Island (UHI effect has long been studied by observations of air temperature from thermometers. However, with the advent and proliferation of remote sensing technology, synoptic coverage and better representations of spatial variation of surface temperature became possible. This has opened new avenues for the observation capabilities and research of UHIs. In this study, "UHI effect and its relation to factors that cause it" is explored for İzmit city which has been subject to excess urbanization and industrialization during the past decades. Spatial distribution and variation of UHI effect in İzmit is analysed using Landsat 8 and ASTER day & night images of 2015 summer. Surface temperature data derived from thermal bands of the images were analysed for UHI effect. Higher temperatures were classified into 4 grades of UHIs and mapped both for day and night. Inadequate urban form, pattern, density, high buildings and paved surfaces at the expanse of soil ground and vegetation cover are the main factors that cause microclimates giving rise to spatial variations in temperatures across cities. These factors quantified as land surface/cover parameters for the study include vegetation index (NDVI, imperviousness (NDISI, albedo, solar insolation, Sky View Factor (SVF, building

  16. Spatial variations and development of land use regression models of oxidative potential in ten European study areas

    Science.gov (United States)

    Jedynska, Aleksandra; Hoek, Gerard; Wang, Meng; Yang, Aileen; Eeftens, Marloes; Cyrys, Josef; Keuken, Menno; Ampe, Christophe; Beelen, Rob; Cesaroni, Giulia; Forastiere, Francesco; Cirach, Marta; de Hoogh, Kees; De Nazelle, Audrey; Nystad, Wenche; Akhlaghi, Helgah Makarem; Declercq, Christophe; Stempfelet, Morgane; Eriksen, Kirsten T.; Dimakopoulou, Konstantina; Lanki, Timo; Meliefste, Kees; Nieuwenhuijsen, Mark; Yli-Tuomi, Tarja; Raaschou-Nielsen, Ole; Janssen, Nicole A. H.; Brunekreef, Bert; Kooter, Ingeborg M.

    2017-02-01

    Oxidative potential (OP) has been suggested as a health-relevant measure of air pollution. Little information is available about OP spatial variation and the possibility to model its spatial variability. Our aim was to measure the spatial variation of OP within and between 10 European study areas. The second aim was to develop land use regression (LUR) models to explain the measured spatial variation. OP was determined with the dithiothreitol (DTT) assay in ten European study areas. DTT of PM2.5 was measured at 16-40 sites per study area, divided over street, urban and regional background sites. Three two-week samples were taken per site in a one-year period in three different seasons. We developed study-area specific LUR models and a LUR model for all study areas combined to explain the spatial variation of OP. Significant contrasts between study areas in OP were found. OP DTT levels were highest in southern Europe. DTT levels at street sites were on average 1.10 times higher than at urban background locations. In 5 of the 10 study areas LUR models could be developed with a median R2 of 33%. A combined study area model explained 30% of the measured spatial variability. Overall, LUR models did not explain spatial variation well, possibly due to low levels of OP DTT and a lack of specific predictor variables.

  17. Quantitative estimation of Holocene surface salinity variation in the Black Sea using dinoflagellate cyst process length

    DEFF Research Database (Denmark)

    Mertens, Kenneth Neil; Bradley, Lee R.; Takano, Yoshihito

    2012-01-01

    this calibration to make a regional reconstruction of paleosalinity in the Black Sea, calculated by averaging out process length variation observed at four core sites from the Black Sea with high sedimentation rates and dated by multiple mollusk shell ages. Results show a very gradual change of salinity from ∼14...

  18. Genetics in endocrinology: genetic variation in deiodinases: a systematic review of potential clinical effects in humans.

    Science.gov (United States)

    Verloop, Herman; Dekkers, Olaf M; Peeters, Robin P; Schoones, Jan W; Smit, Johannes W A

    2014-09-01

    Iodothyronine deiodinases represent a family of selenoproteins involved in peripheral and local homeostasis of thyroid hormone action. Deiodinases are expressed in multiple organs and thyroid hormone affects numerous biological systems, thus genetic variation in deiodinases may affect multiple clinical endpoints. Interest in clinical effects of genetic variation in deiodinases has clearly increased. We aimed to provide an overview for the role of deiodinase polymorphisms in human physiology and morbidity. In this systematic review, studies evaluating the relationship between deiodinase polymorphisms and clinical parameters in humans were eligible. No restrictions on publication date were imposed. The following databases were searched up to August 2013: Pubmed, EMBASE (OVID-version), Web of Science, COCHRANE Library, CINAHL (EbscoHOST-version), Academic Search Premier (EbscoHOST-version), and ScienceDirect. Deiodinase physiology at molecular and tissue level is described, and finally the role of these polymorphisms in pathophysiological conditions is reviewed. Deiodinase type 1 (D1) polymorphisms particularly show moderate-to-strong relationships with thyroid hormone parameters, IGF1 production, and risk for depression. D2 variants correlate with thyroid hormone levels, insulin resistance, bipolar mood disorder, psychological well-being, mental retardation, hypertension, and risk for osteoarthritis. D3 polymorphisms showed no relationship with inter-individual variation in serum thyroid hormone parameters. One D3 polymorphism was associated with risk for osteoarthritis. Genetic deiodinase profiles only explain a small proportion of inter-individual variations in serum thyroid hormone levels. Evidence suggests a role of genetic deiodinase variants in certain pathophysiological conditions. The value for determination of deiodinase polymorphism in clinical practice needs further investigation. © 2014 European Society of Endocrinology.

  19. Electrocardiogram: his bundle potentials can be recorded noninvasively beat by beat on surface electrocardiogram.

    Science.gov (United States)

    Wang, Gaopin; Liu, Renguang; Chang, Qinghua; Xu, Zhaolong; Zhang, Yingjie; Pan, Dianzhu

    2017-03-15

    The micro waveform of His bundle potential can't be recorded beat-to-beat on surface electrocardiogram yet. We have found that the micro-wavelets before QRS complex may be related to atrioventricular conduction system potentials. This study is to explore the possibility of His bundle potential can be noninvasively recorded on surface electrocardiogram. We randomized 65 patients undergoing radiofrequency catheter ablation of paroxysmal superventricular tachycardia (exclude overt Wolff-Parkinson-White syndrome) to receive "conventional electrocardiogram" and "new electrocardiogram" before the procedure. His bundle electrogram was collected during the procedure. Comparative analysis of PA s (PA interval recorded on surface electrocardiogram), AH s (AH interval recorded on surface electrocardiogram) and HV s (HV interval recorded on surface electrocardiogram) interval recorded on surface "new electrocardiogram" and PA, AH, HV interval recorded on His bundle electrogram was investigated. There was no difference (P > 0.05) between groups in HV s interval (49.63 ± 6.19 ms) and HV interval (49.35 ± 6.49 ms). Results of correlational analysis found that HV S interval was significantly positively associated with HV interval (r = 0.929; P electrocardiogram. Noninvasive His bundle potential tracing might represent a new method for locating the site of atrioventricular block and identifying the origin of a wide QRS complex.

  20. The Effect of Images on Surface Potential and Resistance Calculation of Grounding Systems

    Directory of Open Access Journals (Sweden)

    MARTINS, A.

    2015-05-01

    Full Text Available In the grounding systems with a two layers soil, the calculation of the surface potential using the image method is sometimes impossible due to singularities, avoiding researchers to use the method for electrodes in the bottom layer. In the literature this problem solution is refereed as unreliable or solved with other more complex methods. This paper presents a new approach to calculate the surface potentials in a two. layer soil, for electrodes in the bottom layer, when images are at surface. The singularities in computing surface voltage, when the first image upwards lies at surface, are analysed and it's shown that a small change in top layer thickness allows an approximate solution. Surface potentials due to grid conductor are also considered and the values of resistance are compared with those from other methodologies. Singularities for a ground rod that crosses the two layers are also treated. The obtained values of resistance are not satisfactory, due to lower segments images that overlap the upper segments. This paper also proposes shifting the surface of the upper part of the ground rod, in the upper layer, or taking the modulus of the mutual resistance, to overcome this difficulty.

  1. On a free-surface problem with moving contact line: From variational principles to stable numerical approximations

    Science.gov (United States)

    Fumagalli, Ivan; Parolini, Nicola; Verani, Marco

    2018-02-01

    We analyze a free-surface problem described by time-dependent Navier-Stokes equations. Surface tension, capillary effects and wall friction are taken into account in the evolution of the system, influencing the motion of the contact line - where the free surface hits the wall - and of the dynamics of the contact angle. The differential equations governing the phenomenon are first derived from the variational principle of minimum reduced dissipation, and then discretized by means of the ALE approach. The numerical properties of the resulting scheme are investigated, drawing a parallel with the physical properties holding at the continuous level. Some instability issues are addressed in detail, in the case of an explicit treatment of the geometry, and novel additional terms are introduced in the discrete formulation in order to damp the instabilities. Numerical tests assess the suitability of the approach, the influence of the parameters, and the effectiveness of the new stabilizing terms.

  2. Potential Mechanisms Driving Population Variation in Spatial Memory and the Hippocampus in Food-caching Chickadees.

    Science.gov (United States)

    Croston, Rebecca; Branch, Carrie L; Kozlovsky, Dovid Y; Roth, Timothy C; LaDage, Lara D; Freas, Cody A; Pravosudov, Vladimir V

    2015-09-01

    Harsh environments and severe winters have been hypothesized to favor improvement of the cognitive abilities necessary for successful foraging. Geographic variation in winter climate, then, is likely associated with differences in selection pressures on cognitive ability, which could lead to evolutionary changes in cognition and its neural mechanisms, assuming that variation in these traits is heritable. Here, we focus on two species of food-caching chickadees (genus Poecile), which rely on stored food for survival over winter and require the use of spatial memory to recover their stores. These species also exhibit extensive climate-related population level variation in spatial memory and the hippocampus, including volume, the total number and size of neurons, and adults' rates of neurogenesis. Such variation could be driven by several mechanisms within the context of natural selection, including independent, population-specific selection (local adaptation), environment experience-based plasticity, developmental differences, and/or epigenetic differences. Extensive data on cognition, brain morphology, and behavior in multiple populations of these two species of chickadees along longitudinal, latitudinal, and elevational gradients in winter climate are most consistent with the hypothesis that natural selection drives the evolution of local adaptations associated with spatial memory differences among populations. Conversely, there is little support for the hypotheses that environment-induced plasticity or developmental differences are the main causes of population differences across climatic gradients. Available data on epigenetic modifications of memory ability are also inconsistent with the observed patterns of population variation, with birds living in more stressful and harsher environments having better spatial memory associated with a larger hippocampus and a larger number of hippocampal neurons. Overall, the existing data are most consistent with the

  3. Limited variation in vaccine candidate Plasmodium falciparum Merozoite Surface Protein-6 over multiple transmission seasons

    Directory of Open Access Journals (Sweden)

    Branch OraLee H

    2010-05-01

    Full Text Available Abstract Background Plasmodium falciparum Merozoite Surface Protein-6 (PfMSP6 is a component of the complex proteinacious coat that surrounds P. falciparum merozoites. This location, and the presence of anti-PfMSP6 antibodies in P. falciparum-exposed individuals, makes PfMSP6 a potential blood stage vaccine target. However, genetic diversity has proven to be a major hurdle for vaccines targeting other blood stage P. falciparum antigens, and few endemic field studies assessing PfMSP6 gene diversity have been conducted. This study follows PfMSP6 diversity in the Peruvian Amazon from 2003 to 2006 and is the first longitudinal assessment of PfMSP6 sequence dynamics. Methods Parasite DNA was extracted from 506 distinct P. falciparum infections spanning the transmission seasons from 2003 to 2006 as part of the Malaria Immunology and Genetics in the Amazon (MIGIA cohort study near Iquitos, Peru. PfMSP6 was amplified from each sample using a nested PCR protocol, genotyped for allele class by agarose gel electrophoresis, and sequenced to detect diversity. Allele frequencies were analysed using JMP v.8.0.1.0 and correlated with clinical and epidemiological data collected as part of the MIGIA project. Results Both PfMSP6 allele classes, K1-like and 3D7-like, were detected at the study site, confirming that both are globally distributed. Allele frequencies varied significantly between transmission seasons, with 3D7-class alleles dominating and K1-class alleles nearly disappearing in 2005 and 2006. There was a significant association between allele class and village location (p-value = 0.0008, but no statistically significant association between allele class and age, sex, or symptom status. No intra-allele class sequence diversity was detected. Conclusions Both PfMSP6 allele classes are globally distributed, and this study shows that allele frequencies can fluctuate significantly between communities separated by only a few kilometres, and over time in the

  4. Bacterial community diversity and variation in spray water sources and the tomato fruit surface

    Directory of Open Access Journals (Sweden)

    Ottesen Andrea R

    2011-04-01

    Full Text Available Abstract Background Tomato (Solanum lycopersicum consumption has been one of the most common causes of produce-associated salmonellosis in the United States. Contamination may originate from animal waste, insects, soil or water. Current guidelines for fresh tomato production recommend the use of potable water for applications coming in direct contact with the fruit, but due to high demand, water from other sources is frequently used. We sought to describe the overall bacterial diversity on the surface of tomato fruit and the effect of two different water sources (ground and surface water when used for direct crop applications by generating a 454-pyrosequencing 16S rRNA dataset of these different environments. This study represents the first in depth characterization of bacterial communities in the tomato fruit surface and the water sources commonly used in commercial vegetable production. Results The two water sources tested had a significantly different bacterial composition. Proteobacteria was predominant in groundwater samples, whereas in the significantly more diverse surface water, abundant phyla also included Firmicutes, Actinobacteria and Verrucomicrobia. The fruit surface bacterial communities on tomatoes sprayed with both water sources could not be differentiated using various statistical methods. Both fruit surface environments had a high representation of Gammaproteobacteria, and within this class the genera Pantoea and Enterobacter were the most abundant. Conclusions Despite the major differences observed in the bacterial composition of ground and surface water, the season long use of these very different water sources did not have a significant impact on the bacterial composition of the tomato fruit surface. This study has provided the first next-generation sequencing database describing the bacterial communities living in the fruit surface of a tomato crop under two different spray water regimes, and therefore represents an

  5. Comparison of Degrees of Potential-Energy-Surface Anharmonicity for Complexes and Clusters with Hydrogen Bonds

    Science.gov (United States)

    Kozlovskaya, E. N.; Doroshenko, I. Yu.; Pogorelov, V. E.; Vaskivskyi, Ye. V.; Pitsevich, G. A.

    2018-01-01

    Previously calculated multidimensional potential-energy surfaces of the MeOH monomer and dimer, water dimer, malonaldehyde, formic acid dimer, free pyridine-N-oxide/trichloroacetic acid complex, and protonated water dimer were analyzed. The corresponding harmonic potential-energy surfaces near the global minima were constructed for series of clusters and complexes with hydrogen bonds of different strengths based on the behavior of the calculated multidimensional potential-energy surfaces. This enabled the introduction of an obvious anharmonicity parameter for the calculated potential-energy surfaces. The anharmonicity parameter was analyzed as functions of the size of the analyzed area near the energy minimum, the number of points over which energies were compared, and the dimensionality of the solved vibrational problem. Anharmonicity parameters for potential-energy surfaces in complexes with strong, medium, and weak H-bonds were calculated under identical conditions. The obtained anharmonicity parameters were compared with the corresponding diagonal anharmonicity constants for stretching vibrations of the bridging protons and the lengths of the hydrogen bridges.

  6. Ab initio potential energy surface and vibration-rotation energy levels of germanium dicarbide, GeC2.

    Science.gov (United States)

    Koput, Jacek

    2018-03-05

    The accurate ground-state potential energy surface of germanium dicarbide, GeC 2 , has been determined from ab initio calculations using the coupled-cluster approach. The core-electron correlation, higher-order valence-electron correlation, and scalar relativistic effects were taken into account. The potential energy surface of GeC 2 was shown to be extraordinarily flat near the T-shaped equilibrium configuration. The potential energy barrier to the linear CCGe configuration was predicted to be 1218 cm -1 . The vibration-rotation energy levels of some GeC 2 isotopologues were calculated using a variational method. The vibrational bending mode ν 3 was found to be highly anharmonic, with the fundamental wavenumber being only 58 cm -1 . Vibrational progressions due to this mode were predicted for the v1=1, v2=1, and v2=2 states of GeC 2 . © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

  7. Influence of the surface permeability on the GRACE water mass variations. Case of the Lake Chad basin.

    Science.gov (United States)

    Lopez, T.; Ramillien, G.; Antoine, R.; Darrozes, J.; Rabinowicz, M.

    2017-12-01

    Since its launch in 2002, the Gravity Recovery And Climate Experiment (GRACE) has been measured the tiny variations of the gravity field due to redistributions of water mass in the surface envelops of Earth. At a spatial resolution of 400 km, these satellite data offer a unique perspective to understand the evolution of continental water storage at regional and global scales, and therefore they enable the monitoring of the hydrological systems such as river basins. It is well known that seasonal cycle, droughts, vegetation and human extractions are the main contributors of the hydrology signals sensed by GRACE. However, the coupling between land surface and the atmosphere is important in semi-arid and arid regions, in particular in West Africa [1]. We propose to quantify the surface water fluxes in the Lake Chad region by using the 10-day water mass solutions of the GRACE mission in the context of the regular West African monsoon. Alternation of the evaporation/condensation cycles during the recent period are interpreted in terms of surface vertical permeability changes that control the thermal evolution in this region [2]. GRACE solutions reveal an interannual increase of surface water mass at the beginning of the dry seasons, especially between 2005 and 2008. We propose that this gain of surface water mass is caused by a seasonal cycle of clay fracturing that controls the evaporation/condensation cycle. [1] Koster et al. (2004). Science, 305, 1138-1140. [2] Lopez et al. (2016). Surv. Geophys., 37 (2), 471-502.

  8. The investigation of spatiotemporal variations of land surface temperature based on land use changes using NDVI in southwest of Iran

    Science.gov (United States)

    Fathizad, Hassan; Tazeh, Mahdi; Kalantari, Saeideh; Shojaei, Saeed

    2017-10-01

    Land use changes can bring about changes in land surface temperature (LST) which is influenced by climatic conditions and physical characteristics of the land surface. In this study, spatiotemporal variations of land surface temperature have been investigated in the desert area of Dasht-e-Abbas, Ilam, based on a variety of land use changes. The investigated periods for the study include 1990, 2000 and 2010 using Landsat image data. First, in mapping land use we used the Fuzzy ARTMAP Neural Network Classification method followed by determination of the NDVI Index to estimate land surface temperature. The results show an increase in LST in areas where degradation, land use and land cover changes have occurred. In 1990, 2000 and 2010, the average land surface temperature of the Fair Rangelands was 26.72 °C, 30.06 °C and 30.95 °C, respectively. This rangeland has been reduced by about 5%. For poor rangelands, the average LSTs were 26.95, 32.83 and 34.49 Cº, respectively which had a 18% reduction. In 1990, 2000 and 2010, the average land surface temperatures of agricultural lands were 24.31 °C, 27.87 °C and 28.61 °C, respectively which has been an increasing trend. The reason can be attributed to changes in cropping patterns of the study area.

  9. Influence of ozone precursors and particulate matter on the variation of surface ozone at an urban site of Delhi, India

    Directory of Open Access Journals (Sweden)

    Ashima Sharma

    2016-03-01

    Full Text Available Continuous measurements of surface O3 and its precursors (NO, NO2, CO, CH4 and NMHCs at an urban site of Delhi, India during January 2012 to December 2013 are presented. In the present study, the annual average mixing ratios of surface O3, NO, NO2, CO, CH4 and NMHC were 30 ± 6 ppb, 24 ± 6 ppb, 15 ± 4 ppb, 1.5 ± 0.4 ppm, 2.4 ± 0.4 ppm and 0.4 ± 0.1 ppm, respectively. The maximum average mixing ratios of surface O3, NO and NO2 were observed during the summer, whereas, the minimum average mixing ratios of ambient NO and NO2 were during monsoon seasons. The surface O3, NO and NO2 have shown the prominent diurnal variations during all the seasons at the observational site of Delhi. The result reveals that the surface O3 was negatively correlated with NOx and CO during the study. The linear scatter plot analysis shows that the PM2.5 and PM10 present in the ambient air of Delhi influence the production of surface O3 at observational site.

  10. Study of inter-annual variations in surface melting over Amery Ice ...

    Indian Academy of Sciences (India)

    Lambert Glacier ... Thus, monitoring surface melt conditions is critical for evaluating the stability of Antarctic ice shelves (Kunz and. Long 2006). Davis. Station. Site-1. Lambert. Glacier ..... P A, Jones J and Bitz C 2006 Antarctic temperature over.

  11. A Remote Sensing Analysis on the Spatiotemporal Variation of Land Surface Albedo and Emissivity in South Florida: An Implication for Surface-Atmosphere Energy and Water Exchange

    Science.gov (United States)

    Kandel, H. P.; Melesse, A. M.

    2016-12-01

    Land use /land cover has wide range of impacts from surface energy budget to radiative forcing of climate change. This study aims to analyze the variation in two radiative properties, albedo and emissivity in South Florida landscape to investigate how radially distinct surfaces lead to a energy and moisture contrast on the near-surface atmosphere and eventually to surface-induced climate. Maps of land surface albedo and emissivity were prepared using algorithms that convert narrow-band spectral reflectance to total short-wave albedo, and vegetation index to emissivity from Landsat -5 TM images of several different summer dates. A comparative analysis was made using the zonal statistics in ArcGIS. Relatively higher albedos were found over cultivated and developed lands (0.17 - 0.21) than in forests and herbaceous wetland (0.09 - 0.16). The emissivities, on the other hand, are lower for developed and drained lands. Average albedo exhibits a slight increase whereas emissivity is found to be decreasing through time. Urban areas showing higher albedos, a unique occurrence in this landscape, store less short-wave radiation, however, their lower emissivities points to increased storage of long-wave radiation. The results imply that the emissivity perhaps play a dominant role in heat island development and initiation of local circulation in urbanized South Florida.

  12. [Temperature variation at the external root surface during Nd: YAG laser irradiation in the root canal in vitro].

    Science.gov (United States)

    Yuan-Gao, Li; Xiao, Wang; Kexian, Xie; Dan, Liu

    2014-10-01

    To assess the temperature variation of the root surface using Nd: YAG laser irradiation in the root canal with different power and to evaluate the safety of laser application on the periodontal region. Thirty extracted human teeth with single-roots were collected. The teeth were cross-sectioned in the cervical portion, standardizing the roots at a 12-mm length. The roots were used as specimen. The roots were radiographed in the buccal-lingual direction to measure the thickness of the proximal walls, by means of a digital radiographic system. The specimens were divided into three groups according to the laser potency (1.5, 3.0, and 4.5 W). Each group was subdivided into two subgroups according to laser frequency (15 and 30 Hz). With the Nd: YAG laser irradiation for 20 s, the temperature variation of the root surface was monitored by thermocouples located at different parts of the root external wall and recorded by digital thermometers. The groups irradiated with 4.5 W presented the greatest temperature variation (above 10°C), followed by 3.0 and 1.5 W. The temperatures were statistically different (P 0.05). The apical half of the root presented statistically higher temperature rises than the cervical half of the root (P laser power, irradiation time, and the thickness of dentin. Application of Nd: YAG laser in the root at 1.5 W for 20 s can safely be used in endodontic treatment.

  13. ANALYSIS OF ROAD SURFACE TEMPERATURE VARIATION ALONG THE ROAD SEGMENTATION USING MOBILE THERMAL SENSOR

    OpenAIRE

    Dukgeun Yun; Jaehong Park

    2016-01-01

    According to the road accidents statistics of Korea, 33% of fatalities occurred in winter. As many factors can be the causes of the accidents in winter season, road freezing is the most important factor among them. Even though the road surface temperature is more important than air temperature, generally the drivers and road manager get the air temperature from the weather forecast. If a road manager has information or can predict the road surface condition or temperature, the accidents relat...

  14. High volume hydraulic fracturing operations: potential impacts on surface water and human health.

    Science.gov (United States)

    Mrdjen, Igor; Lee, Jiyoung

    2016-08-01

    High volume, hydraulic fracturing (HVHF) processes, used to extract natural gas and oil from underground shale deposits, pose many potential hazards to the environment and human health. HVHF can negatively affect the environment by contaminating soil, water, and air matrices with potential pollutants. Due to the relatively novel nature of the process, hazards to surface waters and human health are not well known. The purpose of this article is to link the impacts of HVHF operations on surface water integrity, with human health consequences. Surface water contamination risks include: increased structural failure rates of unconventional wells, issues with wastewater treatment, and accidental discharge of contaminated fluids. Human health risks associated with exposure to surface water contaminated with HVHF chemicals include increased cancer risk and turbidity of water, leading to increased pathogen survival time. Future research should focus on modeling contamination spread throughout the environment, and minimizing occupational exposure to harmful chemicals.

  15. Self-consistent density functional calculation of the image potential at a metal surface

    Energy Technology Data Exchange (ETDEWEB)

    Jung, J [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain); Alvarellos, J E [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain); Chacon, E [Instituto de Ciencias de Materiales de Madrid, Consejo Superior de Investigaciones CientIficas, E-28049 Madrid (Spain); GarcIa-Gonzalez, P [Departamento de Fisica Fundamental, Universidad Nacional de Educacion a Distancia, Apartado 60141, 28080 Madrid (Spain)

    2007-07-04

    It is well known that the exchange-correlation (XC) potential at a metal surface has an image-like asymptotic behaviour given by -1/4(z-z{sub 0}), where z is the coordinate perpendicular to the surface. Using a suitable fully non-local functional prescription, we evaluate self-consistently the XC potential with the correct image behaviour for simple jellium surfaces in the range of metallic densities. This allows a proper comparison between the corresponding image-plane position, z{sub 0}, and other related quantities such as the centroid of an induced charge by an external perturbation. As a by-product, we assess the routinely used local density approximation when evaluating electron density profiles, work functions, and surface energies by focusing on the XC effects included in the fully non-local description.

  16. Self-consistent density functional calculation of the image potential at a metal surface

    International Nuclear Information System (INIS)

    Jung, J; Alvarellos, J E; Chacon, E; GarcIa-Gonzalez, P

    2007-01-01

    It is well known that the exchange-correlation (XC) potential at a metal surface has an image-like asymptotic behaviour given by -1/4(z-z 0 ), where z is the coordinate perpendicular to the surface. Using a suitable fully non-local functional prescription, we evaluate self-consistently the XC potential with the correct image behaviour for simple jellium surfaces in the range of metallic densities. This allows a proper comparison between the corresponding image-plane position, z 0 , and other related quantities such as the centroid of an induced charge by an external perturbation. As a by-product, we assess the routinely used local density approximation when evaluating electron density profiles, work functions, and surface energies by focusing on the XC effects included in the fully non-local description

  17. Diffusion Filters for Variational Data Assimilation of Sea Surface Temperature in an Intermediate Climate Model

    Science.gov (United States)

    2015-01-01

    state estimation and forecast in real applica- tions using general circulation models (GCMs). In addition, other spatial multiscale variational analysis...Journal of Geophysical Research C: Oceans, vol. 102, no. 3, pp. 5655–5667, 1997. [15] P. C. Chu, W. Guihua, and Y. Chen, “Japan Sea thermohaline ...structure and circulation . Part III: autocorrelation functions,” Journal of Physical Oceanography, vol. 32, no. 12, pp. 3596–3615, 2002. [16] K.-A. Park and J

  18. Variation of Potential Yield of Hybrid Population of Robusta Coffee (Coffea Canepor

    OpenAIRE

    Erdiansyah, Novie Pranata; Sumirat, Ucu; -, Priyono

    2014-01-01

    The low yield of Robusta coffee in Indonesia may be due to the use of planting materials derived from seeds. The research objective was to determine the variation of Robusta coffee yield wich local propagated by using seeds. The study was conducted in Kaliwining experimental Station of ICCRI (Indonesian Coffee andCocoa Research Institute). There were two populations observed. Number of progeny used in this study were 186 genotypes consisting of two groups from crossesBP 409 x Q 121 with 89 pr...

  19. MRD-CI potential surfaces using balanced basis sets. IV. The H2 molecule and the H3 surface

    International Nuclear Information System (INIS)

    Wright, J.S.; Kruus, E.

    1986-01-01

    The utility of midbond functions in molecular calculations was tested in two cases where the correct results are known: the H 2 potential curve and the collinear H 3 potential surface. For H 2 , a variety of basis sets both with and without bond functions was compared to the exact nonrelativistic potential curve of Kolos and Wolniewicz [J. Chem. Phys. 43, 2429 (1965)]. It was found that optimally balanced basis sets at two levels of quality were the double zeta single polarization plus sp bond function basis (BF1) and the triple zeta double polarization plus two sets of sp bond function basis (BF2). These gave bond dissociation energies D/sub e/ = 4.7341 and 4.7368 eV, respectively (expt. 4.7477 eV). Four basis sets were tested for basis set superposition errors, which were found to be small relative to basis set incompleteness and therefore did not affect any conclusions regarding basis set balance. Basis sets BF1 and BF2 were used to construct potential surfaces for collinear H 3 , along with the corresponding basis sets DZ*P and TZ*PP which contain no bond functions. Barrier heights of 12.52, 10.37, 10.06, and 9.96 kcal/mol were obtained for basis sets DZ*P, TZ*PP, BF1, and BF2, respectively, compared to an estimated limiting value of 9.60 kcal/mol. Difference maps, force constants, and relative rms deviations show that the bond functions improve the surface shape as well as the barrier height

  20. Permutation invariant potential energy surfaces for polyatomic reactions using atomistic neural networks

    International Nuclear Information System (INIS)

    Kolb, Brian; Zhao, Bin; Guo, Hua; Li, Jun; Jiang, Bin

    2016-01-01

    The applicability and accuracy of the Behler-Parrinello atomistic neural network method for fitting reactive potential energy surfaces is critically examined in three systems, H + H 2 → H 2 + H, H + H 2 O → H 2 + OH, and H + CH 4 → H 2 + CH 3 . A pragmatic Monte Carlo method is proposed to make efficient choice of the atom-centered mapping functions. The accuracy of the potential energy surfaces is not only tested by fitting errors but also validated by direct comparison in dynamically important regions and by quantum scattering calculations. Our results suggest this method is both accurate and efficient in representing multidimensional potential energy surfaces even when dissociation continua are involved.

  1. Conduction abnormalities in the right ventricular outflow tract in Brugada syndrome detected body surface potential mapping.

    Science.gov (United States)

    Guillem, Maria S; Climent, Andreu M; Millet, Jose; Berne, Paola; Ramos, Rafael; Brugada, Josep; Brugada, Ramon

    2010-01-01

    Brugada syndrome (BrS) causes sudden death in patients with structurally normal hearts. Manifestation of BrS in the ECG is dynamical and most patients do not show unequivocal signs of the syndrome during ECG screening. We have obtained 67-lead body surface potential mapping recordings of 25 patients with BrS and analyzed their spatial distribution of surface potentials during ventricular activation. Six patients presented spontaneous type I ECGs during the recording. These patients showed non-dipolarities in isopotential maps at the right ventricular outflow tract (RVOT) region during the development of terminal R waves in right precordial leads. Same finding was observed in 95% of BrS patients not presenting a type I ECG. Conduction delay in the RVOT may be a consistent finding in BrS patients that can be identified by Body Surface Potential Mapping.

  2. Electric Field and Potential Distributions along Surface of Silicone Rubber Polymer Insulators Using Finite Element Method

    OpenAIRE

    B. Marungsri; W. Onchantuek; A. Oonsivilai

    2008-01-01

    This paper presents the simulation the results of electric field and potential distributions along surface of silicone rubber polymer insulators. Near the same leakage distance subjected to 15 kV in 50 cycle salt fog ageing test, alternate sheds silicone rubber polymer insulator showed better contamination performance than straight sheds silicone rubber polymer insulator. Severe surface ageing was observed on the straight sheds insulator. The objective of this work is to ...

  3. Image potential resonances of the aluminum (100) surface; Bildpotentialresonanzen der Aluminium-(100)-Oberflaeche

    Energy Technology Data Exchange (ETDEWEB)

    Winter, Matthias

    2011-07-08

    Image-potential resonances on the (100) surface of pure Aluminum are investigated experimentally and theoretically. The experiments are conducted both energy- and time-resolved using the method of two-photon photoemission spectroscopy. The main attention of the theoretical examination and extensive numerical calculations is devoted to the interaction between surface and bulk states. Image-potential resonances on Al(100) are a system in which a complete series of discrete Rydberg states strongly couples to a continuum of states. As a simple metal it also provides a good opportunity to test theoretical models of the structure of the potential at metal surfaces. This work represents the first high-resolution investigation of image-potential resonances with such strong resonance character. For the first time, it is demonstrated experimentally that isolated image-potential resonances exist on an Aluminum surface. On the (100) surface of Aluminum the second through fifth image-potential resonance are resolved and both, their energies and lifetimes are measured. The binding energies of the image-potential resonances form a Rydberg series of states {epsilon}{sub n}=-(0,85 eV)/((n+a){sup 2}). Within the accuracy of the measurement it is not necessary to introduce a quantum defect a (a=0.022{+-}0.035). Using angle-resolved two-photon photoemission spectroscopy the effective mass of electrons in the second image-potential resonance is measured to 1.01{+-}0.11 electron masses. The lifetimes of the resonances increase as {tau}{sub n} = (1.0{+-}0.2)fs.n{sup 3} starting from n=2. Calculations using the density matrix formalism show that the experimentally observed lifetimes can be explained well by electrons decaying into the bulk. The effect of resonance trapping leads to extended lifetimes in the process. Contrary to common theoretical models of image-potential states at metal surfaces the first image-potential resonance cannot be observed in two-photon photoemission on Al(100

  4. Design Variations on Planar Differential Antenna with Potential for Multiple, Wide, and Narrow Band Coverage

    Directory of Open Access Journals (Sweden)

    Domenico Pepe

    2015-01-01

    Full Text Available This paper presents three practical antenna implementations based on variations of one general planar differential antenna topology originally proposed for ultrawideband (UWB applications. All designs were implemented on a low-cost FR4 substrate and experimentally characterized in an anechoic chamber. The results show how the proposed design variations lead to the required antenna performances and how they give rise to new opportunities in terms of coverage of wide, narrow, and multiple frequency bands for communication and sensing applications below 5 GHz. In particular, the results show how a significant enhancement in bandwidth performance is achieved by folding the differential radiating elements. Moreover, they show how an agile design strategy enables adaption of the antenna design to different requirements for covering wide, narrow, and multiple bands, making the proposed class of antennas suitable for different wireless applications. In detail, the proposed class of antennas covers multiple frequency bands, ranging from the 868 MHz and 915 MHz bands to 2.4 GHz industrial scientific and medical (ISM bands, including the 1.2 GHz L band for Global Positioning and Navigation Satellite Systems (GNSS and the lower portion of the UWB band.

  5. Rib Geometry Explains Variation in Dynamic Structural Response: Potential Implications for Frontal Impact Fracture Risk.

    Science.gov (United States)

    Murach, Michelle M; Kang, Yun-Seok; Goldman, Samuel D; Schafman, Michelle A; Schlecht, Stephen H; Moorhouse, Kevin; Bolte, John H; Agnew, Amanda M

    2017-09-01

    The human thorax is commonly injured in motor vehicle crashes, and despite advancements in occupant safety rib fractures are highly prevalent. The objective of this study was to quantify the ability of gross and cross-sectional geometry, separately and in combination, to explain variation of human rib structural properties. One hundred and twenty-two whole mid-level ribs from 76 fresh post-mortem human subjects were tested in a dynamic frontal impact scenario. Structural properties (peak force and stiffness) were successfully predicted (p geometry obtained via direct histological imaging (total area, cortical area, and section modulus) and were improved further when utilizing a combination of cross-sectional and gross geometry (robusticity, whole bone strength index). Additionally, preliminary application of a novel, adaptive thresholding technique, allowed for total area and robusticity to be measured on a subsample of standard clinical CT scans with varied success. These results can be used to understand variation in individual rib response to frontal loading as well as identify important geometric parameters, which could ultimately improve injury criteria as well as the biofidelity of anthropomorphic test devices (ATDs) and finite element (FE) models of the human thorax.

  6. Genetic variations in the DNA replication origins of human papillomavirus family correlate with their oncogenic potential.

    Science.gov (United States)

    Yilmaz, Gulden; Biswas-Fiss, Esther E; Biswas, Subhasis B

    2018-04-01

    Human papillomaviruses (HPVs) encompass a large family of viruses that range from benign to highly carcinogenic. The crucial differences between benign and carcinogenic types of HPV remain unknown, except that the two HPV types differ in the frequency of DNA replication. We have systematically analyzed the mechanism of HPV DNA replication initiation in low-risk and high-risk HPVs. Our results demonstrate that HPV-encoded E2 initiator protein and its four binding sites in the replication origin play pivotal roles in determining the destiny of the HPV-infected cell. We have identified strain-specific single nucleotide variations in E2 binding sites found only in the high-risk HPVs. We have demonstrated that these variations result in attenuated formation of the E2-DNA complex. E2 binding to these sites is linked to the activation of the DNA replication origin as well as initiation of DNA replication. Both electrophoretic mobility shift assay and atomic force microscopy studies demonstrated that binding of E2 from either low- or high-risk HPVs with variant binding sequences lacked multimeric E2-DNA complex formation in vitro. These results provided a molecular basis of differential DNA replication in the two types of HPVs and pointed to a correlation with the development of cancer. Copyright © 2017. Published by Elsevier B.V.

  7. Variation of Potential Yield of Hybrid Population of Robusta coffee (Coffea canepor

    Directory of Open Access Journals (Sweden)

    Novie Pranata Erdiansyah

    2014-08-01

    Full Text Available The low yield of Robusta coffee in Indonesia may be due to the use of planting materials derived from seeds. The research objective was to determine the variation of Robusta coffee yield wich local propagated by using seeds. The study was conducted in Kaliwining experimental Station of ICCRI (Indonesian Coffee andCocoa Research Institute. There were two populations observed. Number of progeny used in this study were 186 genotypes consisting of two groups from crossesBP 409 x Q 121 with 89 progenies and BP 961 x BP 409 with 81 progenies. The results showed that planting materials from seeds exhibit properties mixed results.Progeny that have the best results (yield more than 2 ton/ha not more than 5% of the total population. In both populations there is a big difference between the progenythat has high and low yield. Highest yield B population could reach 2,500 kg/ha and the C population reached 2,200 kg/ha. The lowest yield can only produce coffee270 kg/ha in populations B and 120 kg/ha in population C.Key words: Coffea canephora, hybrid, variation, yield

  8. Throat Patch Variation in Tayra (Eira barbara and the Potential for Individual Identification in the Field

    Directory of Open Access Journals (Sweden)

    Álvaro José Villafañe-Trujillo

    2018-01-01

    Full Text Available The importance of identifying individuals of a population has been extensively documented in several species of carnivores, including some species of mustelids. This information is used in many kinds of ecological studies including density estimation, behavioral ecology and analyses of animal movement patterns. The objective of the present study was to determine if individual variation in the throat patches of Tayra (Eira barbara permits individual identification. We examined 275 specimens from museum collections to determine the morphological variation of the throat patch in Eira barbara specimens collected throughout its distribution. We found differences in the shape and size of the throat patches significant enough to allow discrimination of individuals that display a throat patch (88.0% of 252 complete specimens. The proposed identification criterion was applied to photographic records obtained from a wild population using camera traps in the Peruvian Amazon. From nineteen images (54.0% of all images in which the throat patch was visible, nine different individuals were identified and two of these were recaptured on multiple occasions.

  9. Single-ion and pair-interaction potentials near simple metal surfaces

    International Nuclear Information System (INIS)

    Barnett, R.N.; Barrera, R.G.; Cleveland, C.L.; Landman, U.

    1983-01-01

    Presented is a model for semi-infinite simple metals which does not require crystalline order or a single species, and thus is applicable to problems of defect energetics near the surface and random-alloy surfaces as well as ideal metal surfaces. The formulation is based on the use of ionic pseudopotentials and linear-response theory. An expression for the total energy is obtained which depends explicitly on ionic species and position. This expression is decomposed into a density-dependent term and single-ion and ionic pair-interaction potential terms. The single-ion potentials oscillate about a constant bulk value, with the magnitude of the oscillation decreasing rapidly away from the surface. The interaction between pairs of ions near the surface is shown to be a noncentral force interaction which differs significantly from the central-force bulk pair potential. The effect of quantum interference in the response of the semi-infinite electron gas to the ions is seen in both the single-ion and the pair-interaction potentials. Results are presented for the simple metals sodium, potassium, and rubidium

  10. A many-body embedded atom potential for describing ejection of atoms from surfaces

    International Nuclear Information System (INIS)

    Garrison, B.J.; Walzl, K.; El-Maazawi, M.; Winograd, N.; Reimann, C.T.; Deaven, D.M.

    1989-01-01

    In this paper, we show that many-body interactions are important for describing the energy- and angle-resolved distributions of neutral Rh atoms ejected from keV-ion-bombarded Rh{111}. We compare separate classical-dynamics simulations of the sputtering process assuming either a many-body potential or a pairwise additive potential. The most dramatic difference between the many-body potential and the pair potential is the predicted kinetic energy distributions. The pair-potential kinetic energy distribution peaks at ∼ 2 eV, whereas the many-body potential predicts a broader peak at ∼ 4 eV, giving much better agreement with experiment. This difference between the model potentials is due to the predicted nature of the attractive interaction in the surface region through which all ejecting particles pass. (author)

  11. Prevalence, risk surfaces and inter-municipality variations in caries experience in Danish children and adolescents in 2012

    DEFF Research Database (Denmark)

    Nørrisgaard, Pia Elisabeth; Qvist, Vibeke; Ekstrand, Kim

    2016-01-01

    Objective The aim of this study was to describe the caries experience, prevalence and distribution related to tooth type and surfaces in the primary and permanent dentition in children and adolescents in Denmark in 2012. In addition, to examine if explanatory factors influence the inter-municipal......-s/DMF. Conclusions The caries distribution within the primary and permanent dentition among 3-, 9-, 15- and 18-year-olds followed definite patterns concerning location on teeth and surfaces. Background factors only explained a minor part of the variation.......Objective The aim of this study was to describe the caries experience, prevalence and distribution related to tooth type and surfaces in the primary and permanent dentition in children and adolescents in Denmark in 2012. In addition, to examine if explanatory factors influence the inter......-municipality variation in caries experience. Materials and methods Data was collected in the public Child Dental Health Service. In total, 5636 caries registrations on 3-, 9-, 15- and 18-year-olds were collected in 35 of the 98 Danish municipalities. Caries experience was expressed by mean def-s/DMF-S and caries...

  12. Calculation and fitting of potential energy and dipole moment surfaces for the water molecule: Fully ab initio determination of vibrational transition energies and band intensities

    International Nuclear Information System (INIS)

    Kedziora, G.S.; Shavitt, I.

    1997-01-01

    Potential energy and dipole moment surfaces for the water molecule have been generated by multireference singles-and-doubles configuration interaction calculations using a large basis set of the averaged-atomic-natural-orbital type and a six-orbital-six-electron complete-active-space reference space. The surfaces are suitable for modeling vibrational transitions up to about 11000cm -1 above the ground state. A truncated singular-value decomposition method has been used to fit the surfaces. This fitting method is numerically stable and is a useful tool for examining the effectiveness of various fitting function forms in reproducing the calculated surface points and in extrapolating beyond these points. The fitted surfaces have been used for variational calculations of the 30 lowest band origins and the corresponding band intensities for transitions from the ground vibrational state. With a few exceptions, the results compare well with other calculations and with experimental data. copyright 1997 American Institute of Physics

  13. Spectroscopic study on variations in illite surface properties after acid-base titration.

    Science.gov (United States)

    Liu, Wen-xin; Coveney, R M; Tang, Hong-xiao

    2003-07-01

    FT-IR, Raman microscopy, XRD, 29Si and 27Al MAS NMR, were used to investigate changes in surface properties of a natural illite sample after acid-base potentiometric titration. The characteristic XRD lines indicated the presence of surface Al-Si complexes, preferable to Al(OH)3 precipitates. In the microscopic Raman spectra, the vibration peaks of Si-O and Al-O bonds diminished as a result of treatment with acid, then increased after hydroxide back titration. The varied ratio of signal intensity between (IV)Al and (VI)Al species in 27Al MAS NMR spectra, together with the stable BET surface area after acidimetric titration, suggested that edge faces and basal planes in the layer structure of illite participated in dissolution of structural components. The combined spectroscopic evidence demonstrated that the reactions between illite surfaces and acid-leaching silicic acid and aluminum ions should be considered in the model description of surface acid-base properties of the aqueous illite.

  14. Sexual Dimorphism of the Human Tibia through Time: Insights into Shape Variation Using a Surface-Based Approach.

    Directory of Open Access Journals (Sweden)

    Hana Brzobohatá

    Full Text Available In this paper we present a three-dimensional (3D morphometrical assessment of human tibia sexual dimorphism based on whole bone digital representation. To detect shape-size and shape differences between sexes, we used geometric morphometric tools and colour-coded surface deviation maps. The surface-based methodology enabled analysis of sexually dimorphic features throughout the shaft and articular ends of the tibia. The overall study dataset consisted of 183 3D models of adult tibiae from three Czech population subsets, dating to the early medieval (9-10th century (N = 65, early 20th century (N = 61 and 21st-century (N = 57. The time gap between the chronologically most distant and contemporary datasets was more than 1200 years. The results showed that, in all three datasets, sexual dimorphism was pronounced. There were some sex-dimorphic characteristics common to all three samples, such as tuberosity protrusion, anteriorly bowed shaft and relatively larger articular ends in males. Diachronic comparisons also revealed substantial shape variation related to the most dimorphic area. Male/female distinctions showed a consistent temporal trend regarding the location of dimorphic areas (shifting distally with time, while the maximal deviation between male and female digitized surfaces fluctuated and reached the lowest level in the 21st-century sample. Sex determination on a whole-surface basis yielded the lowest return of correct sex assignment in the 20th-century group, which represented the lowest socioeconomic status. The temporal variation could be attributed to changes in living conditions, the decreasing lower limb loading/labour division in the last 12 centuries having the greatest effect. Overall, the results showed that a surface-based approach is successful for analysing complex long bone geometry.

  15. Spatial and Decadal Variations in Potential Evapotranspiration of China Based on Reanalysis Datasets during 1982–2010

    Directory of Open Access Journals (Sweden)

    Yunjun Yao

    2014-10-01

    Full Text Available Potential evapotranspiration (PET is an important indicator of atmospheric evaporation demand and has been widely used to characterize hydrological change. However, sparse observations of pan evaporation (EP prohibit the accurate characterization of the spatial and temporal patterns of PET over large spatial scales. In this study, we have estimated PET of China using the Penman-Monteith (PM method driven by gridded reanalysis datasets to analyze the spatial and decadal variations of PET in China during 1982–2010. The results show that the estimated PET has decreased on average by 3.3 mm per year (p < 0.05 over China during 1982–1993, while PET began to increase since 1994 by 3.4 mm per year (p < 0.05. The spatial pattern of the linear trend in PET of China illustrates that a widely significant increasing trend in PET appears during 1982–2010 in Northwest China, Central China, Northeast China and South China while there are no obvious variations of PET in other regions. Our findings illustrate that incident solar radiation (Rs is the largest contributor to the variation of PET in China, followed by vapor pressure deficit (VPD, air temperature (Tair and wind speed (WS. However, WS is the primary factor controlling inter-annual variation of PET over Northwest China.

  16. Nanoarray-based biomolecular detection using individual Au nanoparticles with minimized localized surface plasmon resonance variations.

    Science.gov (United States)

    Guo, Longhua; Ferhan, Abdul Rahim; Lee, Kijoon; Kim, Dong-Hwan

    2011-04-01

    Here, we present a mean to expand the use of individual metallic nanoparticles to two-dimensional plasmonic nanoarrays. An optical detection platform to track down localized surface plasmon resonance (LSPR) signals of individual nanoparticles on substrates was built for the application of plasmonic nanoarrays. A pseudoimage of nanoparticles on a substrate was reconstructed from their scattering spectra obtained by scanning a user-defined area. The spectral and spatial resolutions of the system were also discussed in detail. Most importantly, we present a method to normalize the localized surface plasmon resonance from geometrically different nanoparticles. After normalization, plasmonic responses from different particles become highly consistent, creating well-fitted dose-response curves of both surrounding refractive index changes and receptor-analyte binding to the surface of individual nanoparticles. Finally, the proof-of-concept system for plasmonic nanoarray detection is demonstrated by the measurement of the aptamer-thrombin binding event.

  17. Surface temperature variations as measured by the Heat Capacity Mapping Mission

    Science.gov (United States)

    Price, J. C.

    1979-01-01

    The AEM-1 satellite, the Heat Capacity Mapping Mission, has acquired high-quality thermal infrared data at times of day especially suited for studying the earth's surface and the exchange of heat and moisture with the atmosphere. Selected imagery illustrates the considerable variability of surface temperature in and around cities, in the dry southwestern United States, in the Appalachian Mountains, and in agricultural areas. Through simplifying assumptions, an analytic experience is derived that relates day/night temperature differences to the near-surface layer (thermal inertia) and to meteorological factors. Analysis of the result suggests that, in arid regions, estimates of relative thermal inertia may be inferred, whereas, in agricultural areas, a hydrologic interpretation is possible.

  18. [Texture variation of CC 5052 aluminum alloy slab from surface to center layer by XRD].

    Science.gov (United States)

    Chen, Ming-Biao; Liu, Wen-Chang; Ma, Xiao-Yi; Li, Jian; Yang, Qing-Xiang; Wang, Shan; Ma, Min; Liu, Chang; Zhao, Y M

    2013-05-01

    For improvement of the processing and gaining uniformity texture structure and performance of direct chill cast CCAA 5052 aluminum alloy band after first hot rolling with different reduction, the material was annealed at 454 degrees C and then cold rolling with different reduction was conducted, the texture at surface, quarter and center layer of the sample was tested and examined by X-ray diffraction method, the data calculated using special software and the difference of texture at surface, quarter and center layer was analyzed. There existed an elevated gradient of intensity from surface layer to center layer after cold rolled with less than or equal to 40% reduction, The main texture of beta is stronger mainly due to transformation from remainder exposure, while the goss and remainder is infirm, the state of texture at each layer is close to each other after cold rolling with reduction high than 56.1%.

  19. Foraging on the potential energy surface: a swarm intelligence-based optimizer for molecular geometry.

    Science.gov (United States)

    Wehmeyer, Christoph; Falk von Rudorff, Guido; Wolf, Sebastian; Kabbe, Gabriel; Schärf, Daniel; Kühne, Thomas D; Sebastiani, Daniel

    2012-11-21

    We present a stochastic, swarm intelligence-based optimization algorithm for the prediction of global minima on potential energy surfaces of molecular cluster structures. Our optimization approach is a modification of the artificial bee colony (ABC) algorithm which is inspired by the foraging behavior of honey bees. We apply our modified ABC algorithm to the problem of global geometry optimization of molecular cluster structures and show its performance for clusters with 2-57 particles and different interatomic interaction potentials.

  20. Spatio-temporal variations in surface characteristics over the North American Monsoon region

    Science.gov (United States)

    In this paper we summarize the surface characteristics for six locations in western Mexico and southwestern USA (from a subhumid climate in Jalisco, Mexico to the Sonoran Desert climate in Arizona, USA),that lie along a meridional transect within the North American Monsoon (NAM) core region using av...

  1. Seasonal variation in surface fuel moisture between unthinned and thinned mixed conifer forest, northern California, USA

    Science.gov (United States)

    Becky L. Estes; Eric E. Knapp; Carl N. Skinner; Fabian C. C. Uzoh

    2012-01-01

    Reducing stand density is often used as a tool for mitigating the risk of high-intensity crown fires. However, concern has been expressed that opening stands might lead to greater drying of surface fuels, contributing to increased fire risk. The objective of this study was to determine whether woody fuel moisture differed between unthinned and thinned mixed-conifer...

  2. Variational derivation of KdV-type of models for surface water waves

    NARCIS (Netherlands)

    van Groesen, Embrecht W.C.; Andonowati, A.

    2007-01-01

    Using the Hamiltonian formulation of surface waves, we approximate the kinetic energy and restrict the governing generalized action principle to a submanifold of uni-directional waves. Different from the usual method of using a series expansion in parameters related to wave height and wavelength,

  3. Toward accurate prediction of potential energy surfaces and the spectral density of hydrogen bonded systems

    International Nuclear Information System (INIS)

    Rekik, Najeh

    2014-01-01

    Despite the considerable progress made in quantum theory and computational methods, detailed descriptions of the potential energy surfaces of hydrogen-bonded systems have not yet been achieved. In addition, the hydrogen bond (H-bond) itself is still so poorly understood at the fundamental level that it remains unclear exactly what geometry constitutes a “real” H-bond. Therefore, in order to investigate features essential for hydrogen bonded complexes, a simple, efficient, and general method for calculating matrix elements of vibrational operators capable of describing the stretching modes and the H-bond bridges of hydrogen-bonded systems is proposed. The derived matrix elements are simple and computationally easy to evaluate, which makes the method suitable for vibrational studies of multiple-well potentials. The method is illustrated by obtaining potential energy surfaces for a number of two-dimensional systems with repulsive potentials chosen to be in Gaussian form for the stretching mode and of the Morse-type for the H-bond bridge dynamics. The forms of potential energy surfaces of weak and strong hydrogen bonds are analyzed by varying the asymmetry of the Gaussian potential. Moreover, the choice and applicability of the selected potential for the stretching mode and comparison with other potentials used in the area of hydrogen bond research are discussed. The approach for the determination of spectral density has been constructed in the framework of the linear response theory for which spectral density is obtained by Fourier transform of the autocorrelation function of the dipole moment operator of the fast mode. The approach involves anharmonic coupling between the high frequency stretching vibration (double well potential) and low-frequency donor-acceptor stretching mode (Morse potential) as well as the electrical anharmonicity of the dipole moment operator of the fast mode. A direct relaxation mechanism is incorporated through a time decaying exponential

  4. Variation with age of anisotropy under oceans, from great circle surface waves

    International Nuclear Information System (INIS)

    Journet, B.; Jobert, N.

    1982-01-01

    Global great circle measurements of regionalized mantle Love wave phase velocities are interpreted in terms of regional models. The same study had been made by J. J. Leveque (1980) for Rayleigh waves, and the resulting models for the two oceanic regions of different ages are used as a basis for comparison: the observed Love wave dispersion cannot be explained with these models if isotropic. The models obtained by inversion of Love wave data are compared with the models mentioned; the discrepancy appearing in the 250 km depth range between the velocities β/sub H/ and β/sub V/ of respectively SH and SV waves is indicative of polarization anisotropy. Moreover, we put forward a significant variation from young to old oceans: the difference between β/sub H/, and β/sub V/ is of the order of 1% for the former, compared to 3% for the latter. This variation can bring information about the behaviour of upper mantle materials in connection with the motion of oceanic plates

  5. Potential and Kinetic Electron Emissions from HOPG Surface Irradiated by Highly Charged Xenon and Neon Ions

    International Nuclear Information System (INIS)

    Yu-Yu, Wang; Yong-Tao, Zhao; Jian-Rong, Sun; De-Hui, Li; Jin-Yu, Li; Ping-Zhi, Wang; Guo-Qing, Xiao; Abdul, Qayyum

    2011-01-01

    Highly charged 129 Xe q+ (q = 10−30) and 40 Ne q+ (q = 4−8) ion-induced secondary electron emissions on the surface of highly oriented pyrolytic graphite (HOPG) are reported. The total secondary electron yield is measured as a function of the potential energy of incident ions. The experimental data are used to separate contributions of kinetic and potential electron yields. Our results show that about 4.5% and 13.2% of ion's potential energies are consumed in potential electron emission due to different Xe q+ -HOPG and Ne q+ -HOPG combinations. A simple formula is introduced to estimate the fraction of ion's potential energy for potential electron emission. (atomic and molecular physics)

  6. Sensitivity of thermal inertia calculations to variations in environmental factors. [in mapping of Earth's surface by remote sensing

    Science.gov (United States)

    Kahle, A. B.; Alley, R. E.; Schieldge, J. P.

    1984-01-01

    The sensitivity of thermal inertia (TI) calculations to errors in the measurement or parameterization of a number of environmental factors is considered here. The factors include effects of radiative transfer in the atmosphere, surface albedo and emissivity, variations in surface turbulent heat flux density, cloud cover, vegetative cover, and topography. The error analysis is based upon data from the Heat Capacity Mapping Mission (HCMM) satellite for July 1978 at three separate test sites in the deserts of the western United States. Results show that typical errors in atmospheric radiative transfer, cloud cover, and vegetative cover can individually cause root-mean-square (RMS) errors of about 10 percent (with atmospheric effects sometimes as large as 30-40 percent) in HCMM-derived thermal inertia images of 20,000-200,000 pixels.

  7. Study of surface potential contamination in radioisotope and radiopharmaceutical production facilities and alternative solutions

    International Nuclear Information System (INIS)

    Suhaedi Muhammad; Rimin Sumantri; Farida Tusafariah; Djarwanti Rahayu Pipin Soedjarwo

    2013-01-01

    Radioisotope and radiopharmaceutical production facilities that exist in their operations around the world in the form of radiological impacts of radiation exposure, contamination of surface and air contamination. Given the number of existing open source in radioisotope and radiopharmaceutical production facility, then the possibility of surface contamination in the work area is quite high. For that to protect the safety and health of both workers, the public and the environment, then the licensee must conduct an inventory of some of the potential that could result in contamination of surfaces in radioisotope and radiopharmaceutical production facilities. Several potential to cause surface contamination in radioisotope and radiopharmaceutical production facilities consist of loss of resources, the VAC system disorders, impaired production facilities, limited resources and lack of work discipline and radioactive waste handling activities. From the study of some potential, there are several alternative solutions that can be implemented by the licensee to address the contamination of the surface so as not to cause adverse radiological impacts for both radiation workers, the public or the environment. (author)

  8. A STUDY ON VARIATIONS OF SHORELINE CHANGES AND TEMPORAL-SPATIAL POTENTIALITY FOR CLOUD SEEDING AT URUMIA LAKE

    Directory of Open Access Journals (Sweden)

    R. Agha Taher

    2015-12-01

    Full Text Available Protecting the living environment has become one of the greatest human concerns; sudden increase of population, industry and technology development, unrestrained over consumption of the citizens and climate changes, have all caused many problems for mankind. Shores are special zones that are in contact with three Atmosphere, Hydrosphere and Lithosphere environments of earth. Shore lines are of the most important linear features of the earth’s surface which have an animated and alive nature. In this regard, optimized management of the shores and environmental protection for stable development require observing the shorelines and their variations. Protection of shorelines within appropriate time periods is of high importance for the purpose of optimized management of the shores. The twenty first century has been called the era of information explosion. A time that, through benefits of new technologies, information experts attempt to generate more and up to date information in various fields and to provide them for managers and decision makers in order to be considered for future planning and also to assist the planners to arrange and set a comprehensive plan. Aerial images and remote sensing technology are economic methods to acquire the required data. Such methods are free from common time and place limitations in survey based methods. Among remote sensing data, the ones acquired from optical images have several benefits which include low cost, interpretation simplicity and ease of access. That is why most of the researches concerning extraction of shorelines are practiced using optical images. On the other hand, wide range coverage of satellite images along with rapid access to them caused these images to be used extensively for extracting the shorelines. The attempt in this research is to use satellite images and their application in order to study variations of the shorelines. Thus, for this purpose, Landsat satellite images from TM and ETM

  9. Hourly and Daily Variation of Sediment Redox Potential in Tidal Wetland Sediments

    National Research Council Canada - National Science Library

    Catallo, W

    1999-01-01

    ...) along with similar times series of temperature (water, air, soil) and pH. It was found that redox potential varied as a result of water level changes and was unrelated to diurnal changes in temperature or pH, the latter of which changed...

  10. Spatial distribution of potential near surface moisture flux at Yucca Mountain

    International Nuclear Information System (INIS)

    Flint, A.L.; Flint, L.E.

    1994-01-01

    An estimate of the areal distribution of present-day surface liquid moisture flux at Yucca Mountain was made using field measured water contents and laboratory measured rock properties. Using available data for physical and hydrologic properties (porosity, saturated hydraulic conductivity, moisture retention functions) of the volcanic rocks, surface lithologic units that are hydrologically similar were delineated. Moisture retention and relative permeability functions were assigned to each surface unit based on the similarity of the mean porosity and saturated hydraulic conductivity of the surface unit to laboratory samples of the same lithology. The potential flux into the mountain was estimated for each surface hydrologic unit using the mean saturated hydraulic conductivity for each unit and assuming all matrix flow. Using measured moisture profiles for each of the surface units, estimates were made of the depth at which seasonal fluctuations diminish and steady state downward flux conditions are likely to exist. The hydrologic properties at that depth were used with the current relative saturation of the tuff, to estimate flux as the unsaturated hydraulic conductivity. This method assumes a unit gradient. The range in estimated flux was 0.02 mm/yr for the welded Tiva Canyon to 13.4 mm/yr for the nonwelded Paintbrush Tuff. The areally averaged flux was 1.4 mm/yr. The major zones of high flux occur to the north of the potential repository boundary where the nonwelded tuffs are exposed in the major drainages

  11. Spatial distribution of potential near surface moisture flux at Yucca Mountain

    International Nuclear Information System (INIS)

    Flint, A.L.; Flint, L.E.

    1994-01-01

    An estimate of the areal distribution of present-day surface liquid moisture flux at Yucca Mountain was made using field measured water contents and laboratory measured rock properties. Using available data for physical and hydrologic properties (porosity, saturated hydraulic conductivity moisture retention functions) of the volcanic rocks, surface lithologic units that are hydrologically similar were delineated. Moisture retention and relative permeability functions were assigned to each surface unit based on the similarity of the mean porosity and saturated hydraulic conductivity of the surface unit to laboratory samples of the same lithology. The potential flux into the mountain was estimated for each surface hydrologic unit using the mean saturated hydraulic conductivity for each unit and assuming all matrix flow. Using measured moisture profiles for each of the surface units, estimates were made of the depth at which seasonal fluctuations diminish and steady state downward flux conditions are likely to exist. The hydrologic properties at that depth were used with the current relative saturation of the tuff, to estimate flux as the unsaturated hydraulic conductivity. This method assumes a unit gradient. The range in estimated flux was 0.02 mm/yr for the welded Tiva Canyon to 13.4 mm/yr for the nonwelded Paintbrush Tuff. The areally averaged flux was 1.4 mm/yr. The major zones of high flux occur to the north of the potential repository boundary where the nonwelded tuffs are exposed in the major drainages

  12. Variations in Near-Infrared Emissivity of Venus Surface Observed by the Galileo Near-Infrared Mapping Spectrometer

    Science.gov (United States)

    Hashimoto, G. L.; Roos-Serote, M.; Sugita, S.

    2004-11-01

    We evaluate the spatial variation of venusian surface emissivity at a near-infrared wavelength using multispectral images obtained by the Near-Infrared Mapping Spectrometer (NIMS) on board the Galileo spacecraft. The Galileo made a close flyby to Venus in February 1990. During this flyby, NIMS observed the nightside of Venus with 17 spectral channels, which includes the well-known spectral windows at 1.18, 1.74, and 2.3 μ m. The surface emissivity is evaluated at 1.18 μ m, at which thermal radiation emitted from the planetary surface could be detected. To analyze the NIMS observations, synthetic spectra have been generated by means of a line-by-line radiative transfer program which includes both scattering and absorption. We used the discrete ordinate method to calculate the spectra of vertically inhomogeneous plane-parallel atmosphere. Gas opacity is calculated based on the method of Pollack et al. (1993), though binary absorption coefficients for continuum opacity are adjusted to achieve an acceptable fit to the NIMS data. We used Mie scattering theory and a cloud model developed by Pollack et al. (1993) to determine the single scattering albedo and scattering phase function of the cloud particles. The vertical temperature profile of Venus International Reference Atmosphere (VIRA) is used in all our calculations. The procedure of the analysis is the followings. We first made a correction for emission angle. Then, a modulation of emission by the cloud opacities is removed using simultaneously measured 1.74 and 2.3 μ m radiances. The resulting images are correlated with the topographic map of Magellan. To search for variations in surface emissivity, this cloud corrected images are divided by synthetic radiance maps that were created from the Magellan data. This work has been supported by The 21st Century COE Program of Origin and Evolution of Planetary Systems of Ministry of Education, Culture, Sports, Science and Technology (MEXT).

  13. Lunar Surface Electric Potential Changes Associated with Traversals through the Earth's Foreshock

    Science.gov (United States)

    Collier, Michael R.; Hills, H. Kent; Stubbs, Timothy J.; Halekas, Jasper S.; Delory, Gregory T.; Espley, Jared; Farrell, William M.; Freeman, John W.; Vondrak, Richard

    2011-01-01

    We report an analysis of one year of Suprathermal Ion Detector Experiment (SIDE) Total Ion Detector (TID) resonance events observed between January 1972 and January 1973. The study includes only those events during which upstream solar wind conditions were readily available. The analysis shows that these events are associated with lunar traversals through the dawn flank of the terrestrial magnetospheric bow shock. We propose that the events result from an increase in lunar surface electric potential effected by secondary electron emission due to primary electrons in the Earth's foreshock region (although primary ions may play a role as well). This work establishes (1) the lunar surface potential changes as the Moon moves through the terrestrial bow shock, (2) the lunar surface achieves potentials in the upstream foreshock region that differ from those in the downstream magnetosheath region, (3) these differences can be explained by the presence of energetic electron beams in the upstream foreshock region and (4) if this explanation is correct, the location of the Moon with respect to the terrestrial bow shock influences lunar surface potential.

  14. Ab initio ground state phenylacetylene-argon intermolecular potential energy surface and rovibrational spectrum

    DEFF Research Database (Denmark)

    Cybulski, Hubert; Fernandez, Berta; Henriksen, Christian

    2012-01-01

    We evaluate the phenylacetylene-argon intermolecular potential energy surface by fitting a representative number of ab initio interaction energies to an analytic function. These energies are calculated at a grid of intermolecular geometries, using the CCSD(T) method and the aug-cc-pVDZ basis set ...... Institute of Physics. [http://dx.doi.org/10.1063/1.4742153]...

  15. Dipyridamole Body Surface Potential Mapping: Noninvasive Differentiation of Syndrome X from Coronary Artery Disease

    Czech Academy of Sciences Publication Activity Database

    Boudík, F.; Anger, Z.; Aschermann, M.; Vojáček, J.; Tomečková, Marie

    2002-01-01

    Roč. 35, č. 3 (2002), s. 181-191 ISSN 0022-0736 R&D Projects: GA MZd IZ4038 Keywords : body surface potential mapping * dipyridamole * coronary artery disease * syndrome X Subject RIV: BD - Theory of Information Impact factor: 0.599, year: 2002

  16. Nanoscale surface potential imaging of the photocatalytic TiO2 films on aluminum

    DEFF Research Database (Denmark)

    Daviðsdóttir, Svava; Dirscherl, Kai; Canulescu, Stela

    2013-01-01

    The change in the surface potential of TiO2 coatings upon UV-illumination was investigated on the nanoscale using Scanning Kelvin Probe Force microscopy and on the micro-scale using photo-electrochemical measurements. A good correlation between the two techniques was obtained. The changes in the ...

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

    NARCIS (Netherlands)

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

    2010-01-01

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

  18. Ab initio potential-energy surface and rovibrational states of the HCN-HCl complex

    NARCIS (Netherlands)

    Avoird, A. van der; Pedersen, T.B.; Dhont, G.S.F.; Fernandez, B.; Koch, H.

    2006-01-01

    A four-dimensional intermolecular potential-energy surface has been calculated for the HCN-HCl complex, with the use of the coupled cluster method with single and double excitations and noniterative inclusion of triples. Data for more than 13 000 geometries were represented by an angular expansion

  19. Spatio-temporal variation of surface soil moisture over the Yellow River basin during 1961–2012

    Directory of Open Access Journals (Sweden)

    R. Tong

    2015-05-01

    Full Text Available Soil moisture plays a significant role in agricultural and ecosystem development. However, in the real world soil moisture data are very limited due to many factors. VIC-3L model, as a semi-distribution hydrological model, can potentially provide valuable information regarding soil moisture. In this study, daily soil moisture contents in the surface soil layer (0–10 cm of 1500 grids at 0.25 × 0.25 degree were simulated by the VIC-3L model. The Mann-Kendall trend test and Morlet wavelet analysis methods were used for the analysis of annual and monthly average surface soil moisture series. Results showed that the trend of surface soil moisture was not obvious on the basin scale, but it varied with spatial and temporal conditions. Different fluctuation amplitudes and periods of surface soil moisture were also discovered on the Yellow River basin during 1961 to 2012.

  20. Impact of organic overlayers on a-Si:H/c-Si surface potential

    KAUST Repository

    Seif, Johannes P.

    2017-04-11

    Bilayers of intrinsic and doped hydrogenated amorphous silicon, deposited on crystalline silicon (c-Si) surfaces, simultaneously provide contact passivation and carrier collection in silicon heterojunction solar cells. Recently, we have shown that the presence of overlaying transparent conductive oxides can significantly affect the c-Si surface potential induced by these amorphous silicon stacks. Specifically, deposition on the hole-collecting bilayers can result in an undesired weakening of contact passivation, thereby lowering the achievable fill factor in a finished device. We test here a variety of organic semiconductors of different doping levels, overlaying hydrogenated amorphous silicon layers and silicon-based hole collectors, to mitigate this effect. We find that these materials enhance the c-Si surface potential, leading to increased implied fill factors. This opens opportunities for improved device performance.

  1. AFM-assisted fabrication of thiol SAM pattern with alternating quantified surface potential

    Directory of Open Access Journals (Sweden)

    Simons Janet

    2011-01-01

    Full Text Available Abstract Thiol self-assembled monolayers (SAMs are widely used in many nano- and bio-technology applications. We report a new approach to create and characterize a thiol SAMs micropattern with alternating charges on a flat gold-coated substrate using atomic force microscopy (AFM and Kelvin probe force microscopy (KPFM. We produced SAMs-patterns made of alternating positively charged, negatively charged, and hydrophobic-terminated thiols by an automated AFM-assisted manipulation, or nanografting. We show that these thiol patterns possess only small topographical differences as revealed by AFM, and distinguished differences in surface potential (20-50 mV, revealed by KPFM. The pattern can be helpful in the development of biosensor technologies, specifically for selective binding of biomolecules based on charge and hydrophobicity, and serve as a model for creating surfaces with quantified alternating surface potential distribution.

  2. Mineralogical Variation of Chelyabinsk with Depth from the Surface of the Parent Meteoroid

    Science.gov (United States)

    Yoshida, S.; Mikouchi, T.; Nagao, K.; Haba, M. K.; Hasegawa, H.; Komatsu, M.; Zolensky, M. E.

    2014-01-01

    The Chelyabinsk meteorite, which passed over the Chelyabinsk Oblast, Russia on Feb. 15th, 2013, brought serious damage by the shock wave and airburst. The diameter of the parent meteoroid is estimated to be approximately 20 m in diameter [1]. It was reported that the impact by this meteorite shower was 4,000 times as large as the TNT explosive and this was the largest airburst on Earth since the asteroid impact in Tunguska, Russia in 1908. The mineralogy and geochemical study of the recovered samples shows that Chelyabinsk is an LL5 chondrite [1]. In this study we analyzed several fragments of Chelyabinsk whose noble gas compositions have been measured and depths from the surface of the parent meteoroid were estimated [2]. We examined how mineralogical characteristics change with depth from the surface. This kind of study has never been performed and thus may be able to offer significant information about the evolution of meteorite parent bodies.

  3. Variations in surface roughness of seven orthodontic archwires: an SEM-profilometry study

    OpenAIRE

    Amini, Fariborz; Rakhshan, Vahid; Pousti, Maryam; Rahimi, Hajir; Shariati, Mahsa; Aghamohamadi, Bahareh

    2012-01-01

    Objective The purpose of this study was to evaluate the surface roughness (SR) of 2 types of orthodontic archwires made by 4 different manufacturers. Methods This in vitro experimental study was conducted on 35 specimens of 7 different orthodontic archwires, namely, 1 nickel-titanium (NiTi) archwire each from the manufacturers American Orthodontics, OrthoTechnology, All-Star Orthodontics, and Smart Technology, and 1 stainless steel (SS) archwire each from the manufacturers American Orthodonti...

  4. Atmospheric summer teleconnections and Greenland Ice Sheet surface mass variations: insights from MERRA-2

    International Nuclear Information System (INIS)

    Lim, Young-Kwon; Schubert, Siegfried D; Molod, Andrea M; Cullather, Richard I; Zhao, Bin; Nowicki, Sophie M J; Lee, Jae N; Velicogna, Isabella

    2016-01-01

    The relationship between leading atmospheric teleconnection patterns and Greenland Ice Sheet (GrIS) temperature, precipitation, and surface mass balance (SMB) are investigated for the last 36 summers (1979–2014) based on Modern-Era Retrospective analysis for Research and Applications version 2 reanalyses. The results indicate that the negative phase of both the North Atlantic Oscillation (NAO) and Arctic Oscillation, associated with warm and dry conditions for the GrIS, lead to SMB decreases within 0–1 months. Furthermore, the positive phase of the East Atlantic (EA) pattern often lags the negative NAO, reflecting a dynamical linkage between these modes that acts to further enhance the warm and dry conditions over the GrIS, leading to a favorable environment for enhanced surface mass loss. The development of a strong negative NAO in combination with a strong positive EA in recent years leads to significantly larger GrIS warming compared to when the negative NAO occurs in combination with a negative or weak positive EA (0.69 K versus 0.13 K anomaly). During 2009 and 2011, weakened (as compared to conditions during the severe surface melt cases of 2010 and 2012) local high pressure blocking produced colder northerly flow over the GrIS inhibiting warming despite the occurrence of a strong negative NAO, reflecting an important role for the EA during those years. In particular, the EA acts with the NAO to enhance warming in 2010 and 2012, and weaken high pressure blocking in 2009 and 2011. In general, high pressure blocking primarily impacts the western areas of the GrIS via advective temperature increases, while changes in net surface radiative fluxes account for both western and eastern GrIS temperature changes. (letter)

  5. Albedo, Land Cover, and Daytime Surface Temperature Variation Across an Urbanized Landscape

    Science.gov (United States)

    Trlica, A.; Hutyra, L. R.; Schaaf, C. L.; Erb, A.; Wang, J. A.

    2017-11-01

    Land surface albedo is a key parameter controlling the local energy budget, and altering the albedo of built surfaces has been proposed as a tool to mitigate high near-surface temperatures in the urban heat island. However, most research on albedo in urban landscapes has used coarse-resolution data, and few studies have attempted to relate albedo to other urban land cover characteristics. This study provides an empirical description of urban summertime albedo using 30 m remote sensing measurements in the metropolitan area around Boston, Massachusetts, relating albedo to metrics of impervious cover fraction, tree canopy coverage, population density, and land surface temperature (LST). At 30 m spatial resolution, median albedo over the study area (excluding open water) was 0.152 (0.112-0.187). Trends of lower albedo with increasing urbanization metrics and temperature emerged only after aggregating data to 500 m or the boundaries of individual towns, at which scale a -0.01 change in albedo was associated with a 29 (25-35)% decrease in canopy cover, a 27 (24-30)% increase in impervious cover, and an increase in population from 11 to 386 km-2. The most intensively urbanized towns in the region showed albedo up to 0.035 lower than the least urbanized towns, and mean mid-morning LST 12.6°C higher. Trends in albedo derived from 500 m Moderate Resolution Imaging Spectroradiometer (MODIS) measurements were comparable, but indicated a strong contribution of open water at this coarser resolution. These results reveal linkages between albedo and urban land cover character, and offer empirical context for climate resilient planning and future landscape functional changes with urbanization.

  6. Spatial Variation of Surface Energy Fluxes Due to Land Use Changes across China

    Directory of Open Access Journals (Sweden)

    Enjun Ma

    2014-04-01

    Full Text Available We estimate the heat flux changes caused by the projected land transformation over the next 40 years across China to improve the understanding of the impacts of land dynamics on regional climate. We use the Weather Research and Forecasting (WRF model to investigate these impacts in four representative land transformation zones, where reclamation, overgrazing, afforestation, and urbanization dominates the land use and land cover changes in each zone respectively. As indicated by the significant variance of albedo due to different land use and cover changes, different surface properties cause great spatial variance of the surface flux. From the simulation results, latent heat flux increases by 2 and 21 W/m2 in the reclamation and afforestation regions respectively. On the contrary, overgrazing and urban expansion results in decrease of latent heat flux by 5 and 36 W/m2 correspondingly. Urban expansion leads to an average increase of 40 W/m2 of sensible heat flux in the future 40 years, while reclamation, afforestation, as well as overgrazing result in the decrease of sensible heat flux. Results also show that reclamation and overgrazing lead to net radiation decrease by approximately 4 and 7 W/m2 respectively, however, afforestation and urbanization lead to net radiation increase by 6 and 3 W/m2 respectively. The simulated impacts of projected HLCCs on surface energy fluxes will inform sustainable land management and climate change mitigation.

  7. Evolution of Mars’ Northern Polar Seasonal CO2 deposits: variations in surface brightness and bulk density

    Science.gov (United States)

    Mount, Christopher P.; Titus, Timothy N.

    2015-01-01

    Small scale variations of seasonal ice are explored at different geomorphic units on the Northern Polar Seasonal Cap (NPSC). We use seasonal rock shadow measurements, combined with visible and thermal observations, to calculate density over time. The coupling of volume density and albedo allows us to determine the microphysical state of the seasonal CO2 ice. We find two distinct endmembers across the NPSC: 1) Snow deposits may anneal to form an overlying slab layer that fractures. These low density deposits maintain relatively constant densities over springtime. 2) Porous slab deposits likely anneal rapidly in early spring and fracture in late spring. These high density deposits dramatically increase in density over time. The endmembers appear to be correlated with latitude.

  8. Genetic analysis of a Treponema phagedenis locus encoding antigenic lipoproteins with potential for antigenic variation.

    Science.gov (United States)

    Mushtaq, Mamoona; Bongcam-Rudloff, Erik; Loftsdottir, Heidur; Pringle, Märit; Segerman, Bo; Zuerner, Richard; Rosander, Anna

    2016-06-30

    Digital dermatitis (DD) is a painful and debilitating claw disease in cattle. Spirochetes of the genus Treponema are found in high numbers in the lesions and are likely to be involved in the pathogenesis. The occurrence of Treponema phagedenis in DD lesions, especially near the interface of healthy and diseased tissue, suggests that this species contributes to the development and/or progression of the lesions. In this study we characterized a genetic locus in T. phagedenis that contains coding regions for three antigenic proteins, PrrA, VpsA, and VpsB. Comparative analysis of homologous loci from fifteen strains suggests that prrA may be transposed into or out of this locus. Alterations in the copy number of TA repeats within the putative promoter region may regulate VpsA/B expression. The vpsA and prrA genes occur in allelic variants in different T. phagedenis isolates and may provide one explanation for the antigenic variation observed in T. phagedenis DD isolates. Copyright © 2016 Elsevier B.V. All rights reserved.

  9. Potential dependence of surface crystal structure of iron passive films in borate buffer solution

    International Nuclear Information System (INIS)

    Deng, Huihua; Nanjo, Hiroshi; Qian, Pu; Santosa, Arifin; Ishikawa, Ikuo; Kurata, Yoshiaki

    2007-01-01

    The effect of passivation potential on surface crystal structure, apparent thickness and passivity of oxide films formed on pure iron prepared by plasma sputter deposition was investigated. The crystallinity was improved with passivation potential and the width of atomically flat terraces was expanded to 6 nm when passivating at 750 mV for 15 min, as observed by ex situ scanning tunneling microscopy (STM) after aging in air (<30% RH). Apparent thickness and passivity are linearly dependent on passivation potential. The former weakly depends on passivation duration, the latter strongly depends on passivation duration. This is well explained by the correlation between crystal structure and passivity

  10. Refined potentials for rare gas atom adsorption on rare gas and alkali-halide surfaces

    Science.gov (United States)

    Wilson, J. W.; Heinbockel, J. H.; Outlaw, R. A.

    1985-01-01

    The utilization of models of interatomic potential for physical interaction to estimate the long range attractive potential for rare gases and ions is discussed. The long range attractive force is calculated in terms of the atomic dispersion properties. A data base of atomic dispersion parameters for rare gas atoms, alkali ion, and halogen ions is applied to the study of the repulsive core; the procedure for evaluating the repulsive core of ion interactions is described. The interaction of rare gas atoms on ideal rare gas solid and alkali-halide surfaces is analyzed; zero coverage absorption potentials are derived.

  11. Characterizing bacterial communities in tilapia pond surface sediment and their responses to pond differences and temporal variations.

    Science.gov (United States)

    Fan, Limin; Barry, Kamira; Hu, Gengdong; Meng, Shunlong; Song, Chao; Qiu, Liping; Zheng, Yao; Wu, Wei; Qu, Jianhong; Chen, Jiazhang; Xu, Pao

    2017-01-01

    Bacterial community compositions in the surface sediment of tilapia ponds and their responses to pond characteristics or seasonal variations were investigated. For that, three ponds with different stocking densities were selected to collect the samples. And the method of Illumina high-throughput sequencing was used to amplify the bacterial 16S rRNA genes. A total of 662, 876 valid reads and 5649 operational taxonomic units were obtained. Further analysis showed that the dominant phyla in all three ponds were Proteobacteria, Bacteroidetes, Chloroflexi, and Acidobacteria. The phyla Planctomycetes, Firmicutes, Chlorobi, and Spirochaetae were also relatively abundant. Among the eight phyla, the abundances of only Proteobacteria, Bacteroidetes, Firmicutes, and Spirochaetae were affected by seasonal variations, while seven of these (with the exception of Acidobacteria) were affected by pond differences. A comprehensive analysis of the richness and diversity of the bacterial 16S rRNA gene, and of the similarity in bacterial community composition in sediment also showed that the communities in tilapia pond sediment were shaped more by pond differences than by seasonal variations. Linear discriminant analysis further indicated that the influences of pond characteristics on sediment bacterial communities might be related to feed coefficients and stocking densities of genetically improved farmed tilapia (GIFT).

  12. Evaluation of surface charge density and surface potential by electrophoretic mobility for solid lipid nanoparticles and human brain-microvascular endothelial cells.

    Science.gov (United States)

    Kuo, Yung-Chih; Chen, I-Chun

    2007-09-27

    Electrophoretic mobility, zeta potential, surface charge density, and surface potential of cacao butter-based solid lipid nanoparticles (SLN) and human brain-microvascular endothelial cells (HBMEC) were analyzed in this study. Electrophoretic mobility and zeta potential were determined experimentally. Surface charge density and surface potential were evaluated theoretically via incorporation of ion condensation theory with the relationship between surface charge density and surface potential. The results revealed that the lower the pH value, the weaker the electrostatic properties of the negatively charged SLN and HBMEC. A higher content of cacao butter or a slower stirring rate yielded a larger SLN and stronger surface electricity. On the contrary, storage led to instability of SLN suspension and weaker electrical behavior because of hydrolysis of ionogenic groups on the particle surfaces. Also, high H+ concentration resulted in excess adsorption of H+ onto HBMEC, rendering charge reversal and cell death. The largest normalized discrepancy between surface potential and zeta potential occurred at pH = 7. For a fixed biocolloidal species, the discrepancy was nearly invariant at high pH value. However, the discrepancy followed the order of electrical intensity for HBMEC system at low pH value because mammalian cells were sensitive to H+. The present study provided a practical method to obtain surface charge properties by capillary electrophoresis.

  13. Genotypic variation in phytoremediation potential of Indian mustard exposed to nickel stress: a hydroponic study.

    Science.gov (United States)

    Ansari, Mohd Kafeel Ahmad; Ahmad, Altaf; Umar, Shahid; Zia, Munir Hussain; Iqbal, Muhammad; Owens, Gary

    2015-01-01

    Ten Indian mustard (Brassica juncea L.) genotypes were screened for their nickel (Ni) phytoremediation potential under controlled environmental conditions. All ten genotypes were grown hydroponically in aqueous solution containing Ni concentrations (as nickel chloride) ranging from 0 to 50 μM and changes in plant growth, biomass and total Ni uptake were evaluated. Of the ten genotypes (viz. Agrini, BTO, Kranti, Pusa Basant, Pusa Jai Kisan, Pusa Bahar, Pusa Bold, Vardhan, Varuna, and Vaibhav), Pusa Jai Kisan was the most Ni tolerant genotype accumulating up to 1.7 μg Ni g(-1) dry weight (DW) in its aerial parts. Thus Pusa Jai Kisan had the greatest potential to become a viable candidate in the development of practical phytoremediation technologies for Ni contaminated sites.

  14. Inter-Seasonal Variations of Surface Temperature in the Urbanized Environment of Delhi Using Landsat Thermal Data

    Directory of Open Access Journals (Sweden)

    Ram Babu Singh

    2014-03-01

    Full Text Available Complex land use/cover patterns in urban areas significantly influence their prevailing surface temperature conditions. As a result of differential cooling and heating of various land use/cover, large temperature ranges are associated with bare land, built-up land, etc. and low ranges are found in vegetation cover and water bodies. Extremely high and low temperature conditions in built-up land have direct and negative impacts on health conditions, and therefore are imperative to study. Thus, an attempt has been made in this research to analyze seasonal variations in surface temperature in city of Delhi. Landsat Thematic Mapper (TM 5 satellite images for the four seasons, viz., 16 January (winter, 5 March (spring, 8 May (summer and 29 September (autumn 2011 have been used to interpret the distribution and changes in surface temperature. A total of 80 samples from all land use/cover categories were taken to generalize the patterns along with north-south and west-east profiles. The extracted surface temperature patterns reflect the spatial and temporal dynamics of temperature over different land use/cover. The north-south and west-east gradient of temperature demonstrates that the core of Delhi has a much lower temperature and weak urban heat island (UHI phenomenon.

  15. Temporal variations of surface water quality in urban, suburban and rural areas during rapid urbanization in Shanghai, China

    International Nuclear Information System (INIS)

    Wang Junying; Da Liangjun; Song Kun; Li Bailian

    2008-01-01

    As the economic and financial center of China, Shanghai has experienced an extensive urban expansion since the early 1980s, with an attendant cost in environmental degradation. We use an integrated pollution index to study the temporal variations of surface water quality in urban, suburban and rural areas between 1982 and 2005. Data on monitored cross-sections were collected from the Shanghai Environmental Monitoring Center. The results indicated that the spatial pattern of surface water quality was determined by the level of urbanization. Surface water qualities in urban and suburban areas were improved by strengthening the environmental policies and management, but were worsening in rural areas. The relationship between economic growth and surface water quality in Shanghai showed an inversed-U-shaped curve, which reflected a similar pattern in most developed countries. This research suggests that decision makers and city officials should be more aware of the recent pollution increases in Shanghai. - An integrated pollution index documents the deterioration of water quality in greater Shanghai, recently most serious in rural sections

  16. Variations in mitochondrial membrane potential correlate with malic acid production by natural isolates of Saccharomyces cerevisiae sake strains.

    Science.gov (United States)

    Oba, Takahiro; Kusumoto, Kenichi; Kichise, Yuki; Izumoto, Eiji; Nakayama, Shunichi; Tashiro, Kosuke; Kuhara, Satoru; Kitagaki, Hiroshi

    2014-08-01

    Research on the relationship between mitochondrial membrane potential and fermentation profile is being intensely pursued because of the potential for developing advanced fermentation technologies. In the present study, we isolated naturally occurring strains of yeast from sake mash that produce high levels of malic acid and demonstrate that variations in mitochondrial membrane potential correlate with malic acid production. To define the underlying biochemical mechanism, we determined the activities of enzymes required for malic acid synthesis and found that pyruvate carboxylase and malate dehydrogenase activities in strains that produce high levels of malic acid were elevated compared with the standard sake strain K901. These results inspired us to hypothesize that decreased mitochondrial membrane potential was responsible for increased malic acid synthesis, and we present data supporting this hypothesis. Thus, the mitochondrial membrane potential of high malic acid producers was lower compared with standard strains. We conclude that mitochondrial membrane potential correlates with malic acid production. © 2014 Federation of European Microbiological Societies. Published by John Wiley & Sons Ltd. All rights reserved.

  17. Antarctic ice shelf potentially stabilized by export of meltwater in surface river

    Science.gov (United States)

    Bell, Robin E.; Chu, Winnie; Kingslake, Jonathan; Das, Indrani; Tedesco, Marco; Tinto, Kirsty J.; Zappa, Christopher J.; Frezzotti, Massimo; Boghosian, Alexandra; Lee, Won Sang

    2017-04-01

    Meltwater stored in ponds and crevasses can weaken and fracture ice shelves, triggering their rapid disintegration. This ice-shelf collapse results in an increased flux of ice from adjacent glaciers and ice streams, thereby raising sea level globally. However, surface rivers forming on ice shelves could potentially export stored meltwater and prevent its destructive effects. Here we present evidence for persistent active drainage networks—interconnected streams, ponds and rivers—on the Nansen Ice Shelf in Antarctica that export a large fraction of the ice shelf’s meltwater into the ocean. We find that active drainage has exported water off the ice surface through waterfalls and dolines for more than a century. The surface river terminates in a 130-metre-wide waterfall that can export the entire annual surface melt over the course of seven days. During warmer melt seasons, these drainage networks adapt to changing environmental conditions by remaining active for longer and exporting more water. Similar networks are present on the ice shelf in front of Petermann Glacier, Greenland, but other systems, such as on the Larsen C and Amery Ice Shelves, retain surface water at present. The underlying reasons for export versus retention remain unclear. Nonetheless our results suggest that, in a future warming climate, surface rivers could export melt off the large ice shelves surrounding Antarctica—contrary to present Antarctic ice-sheet models, which assume that meltwater is stored on the ice surface where it triggers ice-shelf disintegration.

  18. Insight into induced charges at metal surfaces and biointerfaces using a polarizable Lennard-Jones potential.

    Science.gov (United States)

    Geada, Isidro Lorenzo; Ramezani-Dakhel, Hadi; Jamil, Tariq; Sulpizi, Marialore; Heinz, Hendrik

    2018-02-19

    Metallic nanostructures have become popular for applications in therapeutics, catalysts, imaging, and gene delivery. Molecular dynamics simulations are gaining influence to predict nanostructure assembly and performance; however, instantaneous polarization effects due to induced charges in the free electron gas are not routinely included. Here we present a simple, compatible, and accurate polarizable potential for gold that consists of a Lennard-Jones potential and a harmonically coupled core-shell charge pair for every metal atom. The model reproduces the classical image potential of adsorbed ions as well as surface, bulk, and aqueous interfacial properties in excellent agreement with experiment. Induced charges affect the adsorption of ions onto gold surfaces in the gas phase at a strength similar to chemical bonds while ions and charged peptides in solution are influenced at a strength similar to intermolecular bonds. The proposed model can be applied to complex gold interfaces, electrode processes, and extended to other metals.

  19. Potential dependent adhesion forces on bare and underpotential deposition modified electrode surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Serafin, J.M.; Hsieh, S.J.; Monahan, J.; Gewirth, A.A. [Univ. of Illinois, Urbana, IL (United States)

    1998-12-03

    Adhesion force measurements are used to determine the potential dependence of the force of adhesion between a Si{sub 3}N{sub 4} cantilever and a Au(111) surface modified by the underpotential deposition (upd) of Bi or Cu in acid solution or by oxide formation. The measured work of adhesion is near zero for most of the potential region examined in Bi upd but rises after the formation of a full Bi monolayer. The work of adhesion is high at positive potentials for Cu upd but then decreases as the Cu partial and full monolayers are formed. The work of adhesion is low in the oxide region on Au(111) but rises following the sulfate disordering transition at 1.1 V vs NHE. These results are interpreted in terms of the degree of solvent order on the electrode surface.

  20. Role of Surface Wind and Vegetation Cover in Multi-decadal Variations of Dust Emission in the Sahara and Sahel

    Science.gov (United States)

    Kim, Dong; Chin, Mian; Remer, Lorraine A.; Diehl, Thomas L.; Bian, Huisheng; Yu, Hongbin; Brown, Molly E.; Stockwell, William R.

    2016-01-01

    North Africa, the world's largest dust source, is non-uniform, consisting of a permanently arid region (Sahara), a semi-arid region (Sahel), and a relatively moist vegetated region (Savanna), each with very different rainfall patterns and surface conditions. This study aims to better understand the controlling factors that determine the variation of dust emission in North Africa over a 27-year period from 1982 to 2008, using observational data and model simulations. The results show that the model-derived Saharan dust emission is only correlated with the 10-m winds (W10m) obtained from reanalysis data, but the model-derived Sahel dust emission is correlated with both W10m and the Normalized Difference Vegetation Index (NDVI) that is obtained from satellite. While the Saharan dust accounts for 82 of the continental North Africa dust emission (1340-1570 Tg year(exp -1) in the 27-year average, the Sahel accounts for 17 with a larger seasonal and inter-annual variation (230-380 Tg year(exp -1), contributing about a quarter of the transatlantic dust transported to the northern part of South America. The decreasing dust emission trend over the 27-year period is highly correlated with W10m over the Sahara (R equals 0.92). Over the Sahel, the dust emission is correlated with W10m (R 0.69) but is also anti-correlated with the trend of NDVI (R equals 0.65). W10m is decreasing over both the Sahara and the Sahel between 1982 and 2008, and the trends are correlated (R equals 0.53), suggesting that Saharan Sahelian surface winds are a coupled system, driving the inter-annual variation of dust emission.

  1. Quantifying potential sources of surface water contamination with Campylobacter jejuni and Campylobacter coli.

    Science.gov (United States)

    Mughini-Gras, Lapo; Penny, Christian; Ragimbeau, Catherine; Schets, Franciska M; Blaak, Hetty; Duim, Birgitta; Wagenaar, Jaap A; de Boer, Albert; Cauchie, Henry-Michel; Mossong, Joel; van Pelt, Wilfrid

    2016-09-15

    Campylobacter is the most common causative agent of human bacterial gastroenteritis and is frequently found in surface water, where it indicates recent contamination with animal faeces, sewage effluent, and agricultural run-off. The contribution of different animal reservoirs to surface water contamination with Campylobacter is largely unknown. In the Netherlands, the massive poultry culling to control the 2003 avian influenza epidemic coincided with a 44-50% reduction in human campylobacteriosis cases in the culling areas, suggesting substantial environment-mediated spread of poultry-borne Campylobacter. We inferred the origin of surface water Campylobacter jejuni and Campylobacter coli strains in Luxembourg and the Netherlands, as defined by multilocus sequence typing, by comparison to strains from poultry, pigs, ruminants, and wild birds, using the asymmetric island model for source attribution. Most Luxembourgish water strains were attributed to wild birds (61.0%), followed by poultry (18.8%), ruminants (15.9%), and pigs (4.3%); whereas the Dutch water strains were mainly attributed to poultry (51.7%), wild birds (37.3%), ruminants (9.8%), and pigs (1.2%). Attributions varied over seasons and surface water types, and geographical variation in the relative contribution of poultry correlated with the magnitude of poultry production at either the national or provincial level, suggesting that environmental dissemination of Campylobacter from poultry farms and slaughterhouses can be substantial in poultry-rich regions. Copyright © 2016 Elsevier Ltd. All rights reserved.

  2. Light-absorbing impurities in a southern Tibetan Plateau glacier: Variations and potential impact on snow albedo and radiative forcing

    Science.gov (United States)

    Li, Xiaofei; Kang, Shichang; Zhang, Guoshuai; Qu, Bin; Tripathee, Lekhendra; Paudyal, Rukumesh; Jing, Zhefan; Zhang, Yulan; Yan, Fangping; Li, Gang; Cui, Xiaoqing; Xu, Rui; Hu, Zhaofu; Li, Chaoliu

    2018-02-01

    Light-absorbing impurities (LAIs), such as organic carbon (OC), black carbon (BC), and mineral dust (MD), deposited on the surface snow of glacier can reduce the surface albedo. As there exists insufficient knowledge to completely characterize LAIs variations and difference in LAIs distributions, it is essential to investigate the behaviors of LAIs and their influence on the glaciers across the Tibetan Plateau (TP). Therefore, surface snow and snowpit samples were collected during September 2014 to September 2015 from Zhadang (ZD) glacier in the southern TP to investigate the role of LAIs in the glacier. LAIs concentrations were observed to be higher in surface aged snow than in the fresh snow possibly due to post-depositional processes such as melting or sublimation. The LAIs concentrations showed a significant spatial distribution and marked negative relationship with elevation. Impurity concentrations varied significantly with depth in the vertical profile of the snowpit, with maximum LAIs concentrations frequently occurred in the distinct dust layers which were deposited in non-monsoon, and the bottom of snowpit due to the eluviation in monsoon. Major ions in snowpit and backward trajectory analysis indicated that regional activities and South Asian emissions were the major sources. According to the SNow ICe Aerosol Radiative (SNICAR) model, the average simulated albedo caused by MD and BC in aged snow collected on 31 May 2015 accounts for about 13% ± 3% and 46% ± 2% of the albedo reduction. Furthermore, we also found that instantaneous RF caused by MD and BC in aged snow collected on 31 May 2015 varied between 4-16 W m- 2 and 7-64 W m- 2, respectively. The effect of BC exceeds that of MD on albedo reduction and instantaneous RF in the study area, indicating that BC played a major role on the surface of the ZD glacier.

  3. Four-season variation of 2014 year in the surface sediments of the Gochang beach, southwestern coast of Korea

    Science.gov (United States)

    Ryang, Woo Hun; Kang, Sol-Ip

    2015-04-01

    The marco-tide, open-coast Gochang beach, located on the southwestern coast of Korea, was studied in terms of four season variations in surface sediment and sedimentary environment. During the four seasons of winter (February), spring (May), summer (August), and fall (November) in 2014 year, surface sediments of total 252 sites were sampled across three survey lines, consisting of 21 sites at 30 m intervals in each transverse line to the coast, respectively. The Gochang beach comprises the Dongho, Kwangseungri, and Myeongsasipri beaches from north to south. The pocket-type Dongho beach is mainly composed of very fine sands to very coarse sands, and the ratio of fine sand is the largest. The average of grain size is the coarsest in the winter. The spatial distribution of surface sediments shows a coast-parallel trend of fine and medium sands during the four seasons. During the winter, the upper tidal flat was dominated by medium sand, while the lower tidal flat was dominated by find sand. The surface sediments of the Kwangseungri beach are mainly composed of fine-grained sands, and the mean grain size is the coarsest in winter. Grain-size distribution shows a uni-mode pattern in the four seasons. Mud facies partly exist in spring and summer seasons, whereas it is rarely shown in autumn and winter. The spatial distribution of surface sediments shows a coast-parallel trend of fine to coarse sand during the four seasons. The Myeongsasipri beach is mainly composed of very fine sands to very coarse sands, and the ratio of fine sand is the largest. Grain-size distribution shows a weak bi-modal trend in the autumn and a uni-mode pattern in the spring, summer and winter. The mean grain size of the winter is the coarsest among those of four seasons. The spatial distribution of four seasons also shows a coast-parallel trend. During the four seasons of 2014 year in the Gochang beach, overall distribution of the grain sizes represents a fining trend from upper to lower tidal

  4. THE HUBBLE WIDE FIELD CAMERA 3 TEST OF SURFACES IN THE OUTER SOLAR SYSTEM: SPECTRAL VARIATION ON KUIPER BELT OBJECTS

    International Nuclear Information System (INIS)

    Fraser, Wesley C.; Brown, Michael E.; Glass, Florian

    2015-01-01

    Here, we present additional photometry of targets observed as part of the Hubble Wide Field Camera 3 (WFC3) Test of Surfaces in the Outer Solar System. Twelve targets were re-observed with the WFC3 in the optical and NIR wavebands designed to complement those used during the first visit. Additionally, all of the observations originally presented by Fraser and Brown were reanalyzed through the same updated photometry pipeline. A re-analysis of the optical and NIR color distribution reveals a bifurcated optical color distribution and only two identifiable spectral classes, each of which occupies a broad range of colors and has correlated optical and NIR colors, in agreement with our previous findings. We report the detection of significant spectral variations on five targets which cannot be attributed to photometry errors, cosmic rays, point-spread function or sensitivity variations, or other image artifacts capable of explaining the magnitude of the variation. The spectrally variable objects are found to have a broad range of dynamical classes and absolute magnitudes, exhibit a broad range of apparent magnitude variations, and are found in both compositional classes. The spectrally variable objects with sufficiently accurate colors for spectral classification maintain their membership, belonging to the same class at both epochs. 2005 TV189 exhibits a sufficiently broad difference in color at the two epochs that span the full range of colors of the neutral class. This strongly argues that the neutral class is one single class with a broad range of colors, rather than the combination of multiple overlapping classes

  5. Genetic variation in degradability of wheat straw and potential for improvement through plant breeding

    DEFF Research Database (Denmark)

    Jensen, Jacob Wagner; Magid, Jakob; Hansen-Møller, Jens

    2011-01-01

    The degradability of cereal straw is of importance when it is used for animal feed, biological means of bioenergy production such as bioethanol production and when it is incorporated in soil. We examined wheat straw from 106 different winter wheat cultivars representing the northwest European...... a reasonable potential for response to selection. Inclusion of height as a regression-term, indicated that only a minor part of genetic differences are directly related to plant height and that improvements in degradability may be achieved without unacceptable changes in straw length. Finally, a lack...

  6. Fatty Alcohol Variations in Surface Sediments of Sungai Sepang Besar, Sepang, Selangor

    International Nuclear Information System (INIS)

    Masni Mohd Ali; Norfariza Humrawali; Ying, P.Q.; Mohd Talib Latif; Mohamad Pauzi Zakaria

    2011-01-01

    Composition of fatty alcohols from 19 surface sediment samples collected along Sungai Sepang Besar, Sepang, Selangor were determined. The sediments were extracted and analysed using the Gas Chromatography-Mass Spectrometry (GC-MS) technique. A total of 19 fatty alcohols from C 12 to C 30 including 4 branched compounds were identified with concentrations in the range 0.02 μg/ g - 9.01 μg/ g dry weight. C 26 fatty alcohols dominated most sampling stations with concentrations ranging from 0.29 to 5.43 μg/ g dry weight and constituted 15.5 % of total fatty alcohols. According to individual compounds of fatty alcohols and the [Σ(C 12 - C 20 )/ Σ(C 22 - C 30 )] ratio, Sungai Sepang Besar has a high composition of short-chain fatty alcohols (C 12 - C 20 ) which mainly originate from marine organisms. However, the Alcohol Sources Index (ASI) showed that terrestrial derived fatty alcohols dominated the area due to high concentration of C 26 compounds in most sampling stations. The value of (odd chain length)/ (even chain length) ratios were high for almost all the sampling stations due to high bacterial activities. It can be concluded that the surface sediments of Sungai Sepang Besar contained organic materials from marine, terrestrial and bacterial sources. (author)

  7. The Role of Anion Adsorption in the Effect of Electrode Potential on Surface Plasmon Resonance Response.

    Science.gov (United States)

    Laurinavichyute, Veronika K; Nizamov, Shavkat; Mirsky, Vladimir M

    2017-06-20

    Surface plasmon resonance, being widely used in bioanalytics and biotechnology, is influenced by the electrical potential of the resonant gold layer. To evaluate the mechanism of this effect, we have studied it in solutions of various inorganic electrolytes. The magnitude of the effect decreases according to the series: KBr>KCl>KF>NaClO 4 . The data were treated by using different models of the interface. A quantitative description was obtained for the model, which takes into account the local dielectric function of gold being affected by the free electron charge, diffuse ionic layer near the gold/water interface, and specific adsorption of halides to the gold surface with partial charge transfer. Taking into account that most biological experiments are performed in chloride-containing solutions, detailed analysis of the model at these conditions was performed. The results indicate that the chloride adsorption is the main mechanism for the influence of potential on the surface plasmon resonance. The dependencies of surface concentration and residual charge of chloride on the applied potential were determined. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

    Science.gov (United States)

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

    2018-02-01

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

  9. Seasonal variation in phytochemicals and nutraceutical potential of Begonia nelumbiifolia consumed in Puebla, México.

    Science.gov (United States)

    Villa-Ruano, Nemesio; Pacheco-Hernández, Yesenia; Cruz-Durán, Ramiro; Lozoya-Gloria, Edmundo; Betancourt-Jiménez, Martha G

    2017-05-01

    Begonia nelumbiifolia is a traditional edible plant consumed and commercialized in the northern highlands of Puebla, México. The present study reports the seasonal variation in proximate analysis as well as organic acids, carotenoids and flavonoids content in both leaves and stalks of this plant. The stalks contained low concentrations of protein (~3%), fiber (~1.5%) and nitrogen free extract (~0.26%) during the time of study. Both organs showed contents of oxalic acid (91-103 mg 100 g -1 FW), ascorbic acid (50-65 mg 100 g -1 FW), lutein (1-2.5 mg 100 g -1 FW), β-carotene (1-3 mg 100 g -1 FW), quercetin (1.3-2.7 mg 100 g -1 DW) and rutin (0.5-1.7 mg 100 g -1 DW). Antioxidant activity against DPPH was observed by the stalk extracts from 30% methanol (IC 50 , 0.21-0.37 mg L -1 ), pure methanol (IC 50 , 0.14-0.21 mg L -1 ) and hexane: acetone (IC 50 , 0.77-1.21 mg L -1 ). In vitro anti-HMG-CoA reductase (IC 50 , 0.07-0.36 mg L -1 ) and anti-alpha-glucosidase (IC 50 , 0.28-0.43 mg L -1 ) activities were observed in extracts from the edible stalks from pure methanol and 30% methanol. The leaf extracts from 30% methanol inhibited the growth of Pseudomonas syringae pv. tabaci TBR2004 (MIC, 254 µg mL -1 ), P. syringae pv. tomato DC3000 (MIC, 423 µg mL -1 ), P. syringae pv. glycinea (MIC, 605 µg mL -1 ) and Clavibacter michiganensis AB299158 (MIC, 162 µg mL -1 ). B. nelumbiifolia contained valuable phytochemicals associated to nutraceutical and biological properties. However, the consumption of the fresh stalks must be carefully considered because of the high oxalate content.

  10. Simultaneous observation of seasonal variations of beryllium-7 and typical POPs in near-surface atmospheric aerosols in Guangzhou, China

    Science.gov (United States)

    Pan, Jing; Yang, Yong-Liang; Zhang, Gan; Shi, Jing-Lei; Zhu, Xiao-Hua; Li, Yong; Yu, Han-Qing

    2011-07-01

    Near-surface atmospheric aerosol samples were collected at the sampling frequency of 2-3 d per week for one year from August 2006 to August 2007 at a low latitude station in Tianhe District, Guangzhou, Guangdong Province of southern China. The samples were analyzed for cosmogenic nuclide 7Be and persistent organic pollutants, i.e. organochlorine pesticides (OCPs), polychlorinated biphenyls (PCBs), and polybrominated diphenyl ethers (PBDEs). The annual average 7Be concentration was 2.59 mBq m -3, with the maximum occurred in May (8.45 mBq m -3) and minimum in late August and early September (0.07 mBq m -3). Winter and spring were the seasons in which the 7Be concentrations were high while summer and autumn were the lower 7Be seasons. Spring peaks in 7Be in the near-surface atmospheric aerosols may have associated with the "spring leak maximum" episode. The annual average ∑OCPs concentration was 345.6 pg m -3, ∑ 33PCBs 317.6 pg m -3, and ∑ 31PBDEs 609.0 pg m -3. The variation trends in the time-series of 7Be, OCPs, PCBs, and PBDEs in near-surface atmospheric aerosol showed both common features and differences. Significant correlations ( R2 = 0.957 and 0.811. respectively, p = 0.01) were observed between the monthly average 7Be concentrations and those of ∑PCBs and ∑PBDEs in summer, autumn, and early winter. The difference between the seasonal variation features of OCPs and PCBs (and PBDEs) could be attributed to the different source functions and physical-chemical properties which could control the behaviors of these compounds in air-aerosol partitions as well as atmospheric transport.

  11. Predicting Potential Fire Severity Using Vegetation, Topography and Surface Moisture Availability in a Eurasian Boreal Forest Landscape

    Directory of Open Access Journals (Sweden)

    Lei Fang

    2018-03-01

    Full Text Available Severity of wildfires is a critical component of the fire regime and plays an important role in determining forest ecosystem response to fire disturbance. Predicting spatial distribution of potential fire severity can be valuable in guiding fire and fuel management planning. Spatial controls on fire severity patterns have attracted growing interest, but few studies have attempted to predict potential fire severity in fire-prone Eurasian boreal forests. Furthermore, the influences of fire weather variation on spatial heterogeneity of fire severity remain poorly understood at fine scales. We assessed the relative importance and influence of pre-fire vegetation, topography, and surface moisture availability (SMA on fire severity in 21 lightning-ignited fires occurring in two different fire years (3 fires in 2000, 18 fires in 2010 of the Great Xing’an Mountains with an ensemble modeling approach of boosted regression tree (BRT. SMA was derived from 8-day moderate resolution imaging spectroradiometer (MODIS evapotranspiration products. We predicted the potential distribution of fire severity in two fire years and evaluated the prediction accuracies. BRT modeling revealed that vegetation, topography, and SMA explained more than 70% of variations in fire severity (mean 83.0% for 2000, mean 73.8% for 2010. Our analysis showed that evergreen coniferous forests were more likely to experience higher severity fires than the dominant deciduous larch forests of this region, and deciduous broadleaf forests and shrublands usually burned at a significantly lower fire severity. High-severity fires tended to occur in gentle and well-drained slopes at high altitudes, especially those with north-facing aspects. SMA exhibited notable and consistent negative association with severity. Predicted fire severity from our model exhibited strong agreement with the observed fire severity (mean r2 = 0.795 for 2000, 0.618 for 2010. Our results verified that spatial variation

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

    Directory of Open Access Journals (Sweden)

    Deborah McGlynn

    2018-03-01

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

  13. Two-dimensional potential and charge distributions of positive surface streamer

    International Nuclear Information System (INIS)

    Tanaka, Daiki; Matsuoka, Shigeyasu; Kumada, Akiko; Hidaka, Kunihiko

    2009-01-01

    Information on the potential and the field profile along a surface discharge is required for quantitatively discussing and clarifying the propagation mechanism. The sensing technique with a Pockels crystal has been developed for directly measuring the potential and electric field distribution on a dielectric material. In this paper, the Pockels sensing system consists of a pulse laser and a CCD camera for measuring the instantaneous two-dimensional potential distribution on a 25.4 mm square area with a 50 μm sampling pitch. The temporal resolution is 3.2 ns which is determined by the pulse width of the laser emission. The transient change in the potential distribution of a positive surface streamer propagating in atmospheric air is measured with this system. The electric field and the charge distributions are also calculated from the measured potential profile. The propagating direction component of the electric field near the tip of the propagating streamer reaches 3 kV mm -1 . When the streamer stops, the potential distribution along a streamer forms an almost linear profile with the distance from the electrode, and its gradient is about 0.5 kV mm -1 .

  14. Critical insight into the influence of the potential energy surface on fission dynamics

    International Nuclear Information System (INIS)

    Mazurek, K.; Schmitt, C.; Wieleczko, J. P.; Ademard, G.; Nadtochy, P. N.

    2011-01-01

    The present work is dedicated to a careful investigation of the influence of the potential energy surface on the fission process. The time evolution of nuclei at high excitation energy and angular momentum is studied by means of three-dimensional Langevin calculations performed for two different parametrizations of the macroscopic potential: the Finite Range Liquid Drop Model (FRLDM) and the Lublin-Strasbourg Drop (LSD) prescription. Depending on the mass of the system, the topology of the potential throughout the deformation space of interest in fission is observed to noticeably differ within these two approaches, due to the treatment of curvature effects. When utilized in the dynamical calculation as the driving potential, the FRLDM and LSD models yield similar results in the heavy-mass region, whereas the predictions can be strongly dependent on the Potential Energy Surface (PES) for medium-mass nuclei. In particular, the mass, charge, and total kinetic energy distributions of the fission fragments are found to be narrower with the LSD prescription. The influence of critical model parameters on our findings is carefully investigated. The present study sheds light on the experimental conditions and signatures well suited for constraining the parametrization of the macroscopic potential. Its implication regarding the interpretation of available experimental data is briefly discussed.

  15. Form factors and charge radii in a quantum chromodynamics-inspired potential model using variationally improved perturbation theory

    International Nuclear Information System (INIS)

    Hazarika, Bhaskar Jyoti; Choudhury, D.K.

    2015-01-01

    We use variationally improved perturbation theory (VIPT) for calculating the elastic form factors and charge radii of D, D s , B, B s and B c mesons in a quantum chromodynamics (QCD)-inspired potential model. For that, we use linear-cum-Coulombic potential and opt the Coulombic part first as parent and then the linear part as parent. The results show that charge radii and form factors are quite small for the Coulombic parent compared to the linear parent. Also, the analysis leads to a lower as well as upper bounds on the four-momentum transfer Q 2 , hinting at a workable range of Q 2 within this approach, which may be useful in future experimental analyses. Comparison of both the options shows that the linear parent is the better option. (author)

  16. Atom diffraction reveals the impact of atomic core electrons on atom-surface potentials.

    Science.gov (United States)

    Lonij, Vincent P A; Klauss, Catherine E; Holmgren, William F; Cronin, Alexander D

    2010-12-03

    We measured ratios of van der Waals potential coefficients (C3) for different atoms (Li, Na, K, and Rb) interacting with the same surface by studying atom diffraction from a nanograting. These measurements are a sensitive test of atomic structure calculations because C3 ratios are strongly influenced by core electrons and only weakly influenced by the permittivity and geometry of the surface. Our measurement uncertainty of 2% in the ratio C(3)(K)/C(3)(Na) is close to the uncertainty of the best theoretical predictions, and some of these predictions are inconsistent with our measurement.

  17. On the instabilities of a potential vortex with a free surface

    DEFF Research Database (Denmark)

    Mougel, J.; Fabre, D.; Lacaze, L.

    2017-01-01

    In this paper, we address the linear stability analysis of a confined potential vortex with a free surface. This particular flow has been recently used by Tophoj et al. (Phys. Rev. Lett., vol. 110(19), 2013, article 194502) as a model for the swirling flow of fluid in an open cylindrical containe...... the numerical and theoretical analysis presented. These different methods and observations allow to support the unstable wave coupling mechanism as the physical process at the origin of the polygonal patterns observed in free-surface rotating flows....

  18. Potential energy surfaces for N = Z, 20Ne-112Ba nuclei

    International Nuclear Information System (INIS)

    Mehta, M.S.; Gupta, Raj K.; Jha, T.K.; Patra, S.K.

    2004-01-01

    We have calculated the potential energy surfaces for N = Z, 20 Ne- 112 Ba nuclei in an axially deformed relativistic mean field approach. A quadratic constraint scheme is applied to determine the complete energy surface for a wide range of the quadrupole deformation. The NL3, NL-RAl and TM1 parameter sets are used. The phenomenon of (multiple) shape coexistence is studied and the calculated ground and excited state binding energies, quadrupole deformation parameters and root mean square (rms) charge radii are compared with the available experimental data and other theoretical predictions. (author)

  19. Surface-active biopolymers from marine bacteria for potential biotechnological applications

    Directory of Open Access Journals (Sweden)

    Karina Sałek

    2016-03-01

    Full Text Available Surface-active agents are amphiphilic chemicals that are used in almost every sector of modern industry, the bulk of which are produced by organo-chemical synthesis. Those produced from biological sources (biosurfactants and bioemulsifiers, however, have gained increasing interest in recent years due to their wide structural and functional diversity, lower toxicities and high biodegradability, compared to their chemically-synthesised counterparts. This review aims to present a general overview on surface-active agents, including their classification, where new types of these biomolecules may lay awaiting discovery, and some of the main bottlenecks for their industrial-scale production. In particular, the marine environment is highlighted as a largely untapped source for discovering new types of surface-active agents. Marine bacteria, especially those living associated with micro-algae (eukaryotic phytoplankton, are a highly promising source of polymeric surface-active agents with potential biotechnological applications. The high uronic acids content of these macromolecules has been linked to conferring them with amphiphilic qualities, and their high structural diversity and polyanionic nature endows them with the potential to exhibit a wide range of functional diversity. Production yields (e.g. by fermentation for most microbial surface-active agents have often been too low to meet the volume demands of industry, and this principally remains as the most important bottleneck for their further commercial development. However, new developments in recombinant and synthetic biology approaches can offer significant promise to alleviate this bottleneck. This review highlights a particular biotope in the marine environment that offers promise for discovering novel surface-active biomolecules, and gives a general overview on specific areas that researchers and the industry could focus work towards increasing the production yields of microbial surface

  20. Genotypic Variation in the Phytoremediation Potential of Indian Mustard for Chromium

    Science.gov (United States)

    Diwan, Hema; Ahmad, Altaf; Iqbal, Muhammad

    2008-05-01

    The term “phytoremediation” is used to describe the cleanup of heavy metals from contaminated sites by plants. This study demonstrates phytoremediation potential of Indian mustard ( Brasicca juncea (L.) Czern. & Coss.) genotypes for chromium (Cr). Seedlings of 10 genotypes were grown hydroponically in artificially contaminated water over a range of environmentally relevant concentrations of Cr (VI), and the responses of genotypes in the presence of Cr, with reference to Cr accumulation, its phytotoxity and anti-oxidative system were investigated. The Cr accumulation potential varied largely among Indian mustard genotypes. At 100 μM Cr treatment, Pusa Jai Kisan accumulated the maximum amount of Cr (1680 μg Cr g-1 DW) whereas Vardhan accumulated the minimum (107 μg Cr g-1 DW). As the tolerance of metals is a key plant characteristic required for phytoremediation purpose, effects of various levels of Cr on biomass were evaluated as the gross effect. The extent of oxidative stress caused by Cr stress was measured as rate of lipid peroxidation. The level of thiobarbituric acid reactive substances (TBARS) was enhanced at all Cr treatments when compared to the control. Inductions of enzymatic and nonenzymatic antioxidants were monitored as metal-detoxifying responses. All the genotypes responded to Cr-induced oxidative stress by modulating nonenzymatic antioxidants [glutathione (GSH) and ascorbate (Asc)] and enzymatic antioxidants [superoxide dismutase (SOD), ascorbate peroxidase (APX), and glutathione reductase (GR)]. The level of induction, however, differed among the genotypes, being at its maximum in Pusa Jai Kisan and its minimum in Vardhan. Pusa Jai Kisan was grown under natural field conditions with various Cr treatments, and Cr-accumulation capacity was studied. The results confirmed that Pusa Jai Kisan is a hyperaccumulator of Cr and hypertolerant to Cr-induced stress, which makes this genotype a viable candidate for use in the development of

  1. Feet on the potential energy surface, head in the pi clouds

    Energy Technology Data Exchange (ETDEWEB)

    Smith, Quentin [Iowa State Univ., Ames, IA (United States)

    2011-01-01

    This work presents explorations of the potential energy surface of clusters of atoms and of the interactions between molecules. First, structures of small aluminum clusters are examined and classified as ground states, transition states, or higher-order saddle points. Subsequently, the focus shifts to dispersion-dominated π-π interactions when the potential energy surfaces of benzene, substituted benzene, and pyridine dimers are explored. Because DNA nucleotide bases can be thought of as substituted heterocycles, a natural extension of the substituted benzene and pyridine investigations is to model paired nucleotide bases. Finally, the success of the dispersion studies inspires the development of an extension to the computational method used, which will enable the dispersion energy to be modeled – and the potential energy surface explored – in additional chemical systems. The effective fragment potential (EFP) method is described, as well as various quantum mechanical methods. An ab inito quantum mechanical study of 13-atom aluminum clusters is described. EFP studies of aromatic dimers are reported in which dispersion energy makes a significant contribution to the attraction between monomers. Theory and code development toward a means of computing dispersion energy in mixed ab inito-EFP systems are described.

  2. Variation in glyphosate and AMPA concentrations of surface water and groundwater

    Science.gov (United States)

    Caprile, Ana Clara; Aparicio, Virginia; Sasal, Carolina; Andriulo, Enrique

    2017-04-01

    The presence of pesticides in various environmental matrices indicate that the soil's ability to function as a bio-physical-chemical reactor is declining. As it operates as an interface between air and water, it causes a negative impact on these two vital resources. Currently, the pampa agriculture is simplified with a marked tendency towards spring-summer crops, where the main crops are RR soybean and corn. Herbicides are neither retained nor degraded in the soil, which results in polluted groundwater and surface waters. The objectives of this study were: a) to verify the presence of glyphosate and aminomethylphosphonic acid (AMPA) in Pergamino stream (a typical representative of the most productive agricultural region of Argentina) under different land use and to detect if in the detections there was a space-time pattern, and b) to verify the detection of these molecules in groundwater of the upper same basin under exclusively rural land use. Surface stream was sampling in six sites (five under rural land use and one under urban-industrial land use) at a rate of one sample by spring, summer and winter seasons (2010-2013, 54 total samples). Groundwater glyphosate and AMPA concentrations were determined in 24 piezometers constructed at two positions of the landscape, across the groundwater flow direction, sampled at two sampling dates (2010 and 2012, 45 total samples). In surface water, glyphosate and AMPA were detected in 54 and 69% of the samples analyzed, respectively. The median concentrations were 0.9 and 0.8 µg L-1 for glyphosate and AMPA and maximal concentrations 258 and 5865 µg L-1, respectively. The sampling site under urban-industrial land use had abnormally high concentrations of glyphosate in the spring (attributed to point pollution), a fact that not allowed to see differences in the remaining sampling times under different land uses. AMPA concentrations under urban-industrial land use were high and higher than rural land use in 3 studied seasons

  3. Variations in surface roughness of seven orthodontic archwires: an SEM-profilometry study

    Science.gov (United States)

    Rakhshan, Vahid; Pousti, Maryam; Rahimi, Hajir; Shariati, Mahsa; Aghamohamadi, Bahareh

    2012-01-01

    Objective The purpose of this study was to evaluate the surface roughness (SR) of 2 types of orthodontic archwires made by 4 different manufacturers. Methods This in vitro experimental study was conducted on 35 specimens of 7 different orthodontic archwires, namely, 1 nickel-titanium (NiTi) archwire each from the manufacturers American Orthodontics, OrthoTechnology, All-Star Orthodontics, and Smart Technology, and 1 stainless steel (SS) archwire each from the manufacturers American Orthodontics, OrthoTechnology, and All-Star Orthodontics. After analyzing the composition of each wire by energy-dispersive X-ray analysis, the SR of each wire was determined by scanning electron microscopy (SEM) and surface profilometry. Data were analyzed using the Kruskal-Wallis and Mann-Whitney U tests (α wires manufactured by Smart Technology, American Orthodontics, OrthoTechnology, and All-Star Orthodontics were 1,289 ± 915 A°, 1,378 ± 372 A°, 2,444 ± 369 A°, and 5,242 ± 2,832 A°, respectively. The average SR of SS wires manufactured by All-Star Orthodontics, OrthoTechnology, and American Orthodontics were 710 ± 210 A°, 1,831 ± 1,156 A°, and 4,018 ± 2,214 A°, respectively. Similar to the results of profilometry, the SEM images showed more defects and cracks on the SS wire made by American Orthodontics and the NiTi wire made by All-Star Orthodontics than others. Conclusions The NiTi wire manufactured by All-Star Orthodontics and the SS wire made by American Orthodontics were the roughest wires. PMID:23112943

  4. Modelling the variation of land surface temperature as determinant of risk of heat-related health events

    Directory of Open Access Journals (Sweden)

    Goudreau Sophie

    2011-01-01

    Full Text Available Abstract Background The evaluation of exposure to ambient temperatures in epidemiological studies has generally been based on records from meteorological stations which may not adequately represent local temperature variability. Here we propose a spatially explicit model to estimate local exposure to temperatures of large populations under various meteorological conditions based on satellite and meteorological data. Methods A general linear model was used to estimate surface temperatures using 15 LANDSAT 5 and LANDSAT 7 images for Quebec Province, Canada between 1987 and 2002 and spanning the months of June to August. The images encompassed both rural and urban landscapes and predictors included: meteorological records of temperature and wind speed, distance to major water bodies, Normalized Differential Vegetation Index (NDVI, land cover (built and bare land, water, or vegetation, latitude, longitude, and week of the year. Results The model explained 77% of the variance in surface temperature, accounting for both temporal and spatial variations. The standard error of estimates was 1.42°C. Land cover and NDVI were strong predictors of surface temperature. Conclusions This study suggests that a statistical approach to estimating surface temperature incorporating both spatially explicit satellite data and time-varying meteorological data may be relevant to assessing exposure to heat during the warm season in the Quebec. By allowing the estimation of space- and time-specific surface temperatures, this model may also be used to assess the possible impacts of land use changes under various meteorological conditions. It can be applied to assess heat exposure within a large population and at relatively fine-grained scale. It may be used to evaluate the acute health effect of heat exposure over long time frames. The method proposed here could be replicated in other areas around the globe for which satellite data and meteorological data is available.

  5. Modelling the variation of land surface temperature as determinant of risk of heat-related health events.

    Science.gov (United States)

    Kestens, Yan; Brand, Allan; Fournier, Michel; Goudreau, Sophie; Kosatsky, Tom; Maloley, Matthew; Smargiassi, Audrey

    2011-01-21

    The evaluation of exposure to ambient temperatures in epidemiological studies has generally been based on records from meteorological stations which may not adequately represent local temperature variability. Here we propose a spatially explicit model to estimate local exposure to temperatures of large populations under various meteorological conditions based on satellite and meteorological data. A general linear model was used to estimate surface temperatures using 15 LANDSAT 5 and LANDSAT 7 images for Quebec Province, Canada between 1987 and 2002 and spanning the months of June to August. The images encompassed both rural and urban landscapes and predictors included: meteorological records of temperature and wind speed, distance to major water bodies, Normalized Differential Vegetation Index (NDVI), land cover (built and bare land, water, or vegetation), latitude, longitude, and week of the year. The model explained 77% of the variance in surface temperature, accounting for both temporal and spatial variations. The standard error of estimates was 1.42°C. Land cover and NDVI were strong predictors of surface temperature. This study suggests that a statistical approach to estimating surface temperature incorporating both spatially explicit satellite data and time-varying meteorological data may be relevant to assessing exposure to heat during the warm season in the Quebec. By allowing the estimation of space- and time-specific surface temperatures, this model may also be used to assess the possible impacts of land use changes under various meteorological conditions. It can be applied to assess heat exposure within a large population and at relatively fine-grained scale. It may be used to evaluate the acute health effect of heat exposure over long time frames. The method proposed here could be replicated in other areas around the globe for which satellite data and meteorological data is available.

  6. Annual variations and effects of temperature on Legionella spp. and other potential opportunistic pathogens in a bathroom.

    Science.gov (United States)

    Lu, Jingrang; Buse, Helen; Struewing, Ian; Zhao, Amy; Lytle, Darren; Ashbolt, Nicholas

    2017-01-01

    Opportunistic pathogens (OPs) in drinking water, like Legionella spp., mycobacteria, Pseudomonas aeruginosa, and free-living amobae (FLA) are a risk to human health, due to their post-treatment growth in water systems. To assess and manage these risks, it is necessary to understand their variations and environmental conditions for the water routinely used. We sampled premise tap (N cold  = 26, N hot  = 26) and shower (N shower  = 26) waters in a bathroom and compared water temperatures to levels of OPs via qPCR and identified Legionella spp. by 16S ribosomal RNA (rRNA) gene sequencing. The overall occurrence and cell equivalent quantities (CE L -1 ) of Mycobacterium spp. were highest (100 %, 1.4 × 10 5 ), followed by Vermamoeba vermiformis (91 %, 493), Legionella spp. (59 %, 146), P. aeruginosa (14 %, 10), and Acanthamoeba spp. (5 %, 6). There were significant variations of OP's occurrence and quantities, and water temperatures were associated with their variations, especially for Mycobacterium spp., Legionella spp., and V. vermiformis. The peaks observed for Legionella, mainly consisted of Legionella pneumophila sg1 or Legionella anisa, occurred in the temperature ranged from 19 to 49 °C, while Mycobacterium spp. and V. vermiformis not only co-occurred with Legionella spp. but also trended to increase with increasing temperatures. There were higher densities of Mycobacterium in first than second draw water samples, indicating their release from faucet/showerhead biofilm. Legionella spp. were mostly at detectable levels and mainly consisted of L. pneumophila, L. anisa, Legionella donaldsonii, Legionella tunisiensis, and an unknown drinking water isolate based on sequence analysis. Results from this study suggested potential health risks caused by opportunistic pathogens when exposed to warm shower water with low chlorine residue and the use of Mycobacterium spp. as an indicator of premise pipe biofilm and the control management of those potential

  7. Nonequilibrium thermodynamics of interacting tunneling transport: variational grand potential, density functional formulation and nature of steady-state forces

    International Nuclear Information System (INIS)

    Hyldgaard, P

    2012-01-01

    The standard formulation of tunneling transport rests on an open-boundary modeling. There, conserving approximations to nonequilibrium Green function or quantum statistical mechanics provide consistent but computational costly approaches; alternatively, the use of density-dependent ballistic-transport calculations (e.g., Lang 1995 Phys. Rev. B 52 5335), here denoted ‘DBT’, provides computationally efficient (approximate) atomistic characterizations of the electron behavior but has until now lacked a formal justification. This paper presents an exact, variational nonequilibrium thermodynamic theory for fully interacting tunneling and provides a rigorous foundation for frozen-nuclei DBT calculations as a lowest-order approximation to an exact nonequilibrium thermodynamic density functional evaluation. The theory starts from the complete electron nonequilibrium quantum statistical mechanics and I identify the operator for the nonequilibrium Gibbs free energy which, generally, must be treated as an implicit solution of the fully interacting many-body dynamics. I demonstrate a minimal property of a functional for the nonequilibrium thermodynamic grand potential which thus uniquely identifies the solution as the exact nonequilibrium density matrix. I also show that the uniqueness-of-density proof from a closely related Lippmann-Schwinger collision density functional theory (Hyldgaard 2008 Phys. Rev. B 78 165109) makes it possible to express the variational nonequilibrium thermodynamic description as a single-particle formulation based on universal electron-density functionals; the full nonequilibrium single-particle formulation improves the DBT method, for example, by a more refined account of Gibbs free energy effects. I illustrate a formal evaluation of the zero-temperature thermodynamic grand potential value which I find is closely related to the variation in the scattering phase shifts and hence to Friedel density oscillations. This paper also discusses the

  8. Development of a Method to Compensate for Signal Quality Variations in Repeated Auditory Event-Related Potential Recordings

    Science.gov (United States)

    Paukkunen, Antti K. O.; Leminen, Miika M.; Sepponen, Raimo

    2010-01-01

    Reliable measurements are mandatory in clinically relevant auditory event-related potential (AERP)-based tools and applications. The comparability of the results gets worse as a result of variations in the remaining measurement error. A potential method is studied that allows optimization of the length of the recording session according to the concurrent quality of the recorded data. In this way, the sufficiency of the trials can be better guaranteed, which enables control of the remaining measurement error. The suggested method is based on monitoring the signal-to-noise ratio (SNR) and remaining measurement error which are compared to predefined threshold values. The SNR test is well defined, but the criterion for the measurement error test still requires further empirical testing in practice. According to the results, the reproducibility of average AERPs in repeated experiments is improved in comparison to a case where the number of recorded trials is constant. The test-retest reliability is not significantly changed on average but the between-subject variation in the value is reduced by 33–35%. The optimization of the number of trials also prevents excessive recordings which might be of practical interest especially in the clinical context. The efficiency of the method may be further increased by implementing online tools that improve data consistency. PMID:20407635

  9. Complex Kohn variational principle for two-nucleon bound-state and scattering with the tensor potential

    International Nuclear Information System (INIS)

    Araujo Junior, C.F. de; Adhikari, S.K.; Tomio, L.

    1993-10-01

    Complex Kohn variational principle is applied to the numerical solution of the fully off-shell Lippmann-Schwinger equation for nucleon-nucleon scattering for various partial waves including the coupled 3 S 1 - 3 D 1 channel. Analytic expressions are obtained for all the integrals in the method for a suitable choice of expansion functions. Calculations with the partial waves 1 S 0 , 1 P 1 , 1 D 2 , and 3 S 1 - 3 D 1 of the Reid soft core potential show that the method converges faster than other solution schemes not only for the phase shift but also for the off-shell t matrix elements. It is also shown that its is trivial to modify this variational principle in order to make it suitable for bound-stage calculations. The bound-state approach is illustrated for the 3 S 1 - 3 D 1 channel of the Reid soft-core potential for calculating the deuteron binding, wave function and the D state asymptotic parameters. (author)

  10. Potential energy surfaces for alkali plus noble gas pairs: a systematic comparison

    Science.gov (United States)

    Blank, L. Aaron; Kedziora, Gary S.; Weeks, David E.

    2010-02-01

    Optically Pumped Alkali Lasers (OPAL) involve interactions of alkali atoms with a buffer gas typically consisting of a noble gas together with C2H4. Line broadening mechanisms are of particular interest because they can be used to match a broad optical pumping source with relatively narrow alkali absorption spectra. To better understand the line broadening processes at work in OPAL systems we focus on the noble gas collisional partners. A matrix of potential energy surfaces (PES) has been generated at the multi-configurational self consistent field (MCSCF) level for M + Ng, where M=Li, Na, K, Rb, Cs and Ng=He, Ne, Ar. The PES include the X2Σ ground state surface and the A2II, B2Σ excited state surfaces. In addition to the MCSCF surfaces, PES for Li+He have been calculated at the multi-reference singles and doubles configuration interaction (MRSDCI) level with spin-orbit splitting effects included. These surfaces provide a way to check the qualitative applicability of the MCSCF calculations. They also exhibit the avoided crossing between the B2Σ and A2II1/2 surfaces that is partially responsible for collision induced relaxation from the 2P3/2 to the 2P1/2 atomic levels.

  11. Bohm potential effect on the propagation of electrostatic surface wave in semi-bounded quantum plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Myoung-Jae [Department of Physics, Hanyang University, Seoul 04763 (Korea, Republic of); Research Institute for Natural Sciences, Hanyang University, Seoul 04763 (Korea, Republic of); Jung, Young-Dae, E-mail: ydjung@hanyang.ac.kr [Department of Applied Physics and Department of Bionanotechnology, Hanyang University, Ansan, Kyunggi-Do 15588 (Korea, Republic of); Department of Electrical and Computer Engineering, MC 0407, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA 92093-0407 (United States)

    2017-02-12

    High frequency electrostatic wave propagation in a dense and semi-bounded electron quantum plasma is investigated with consideration of the Bohm potential. The dispersion relation for the surface mode of quantum plasma is derived and numerically analyzed. We found that the quantum effect enhances the frequency of the wave especially in the high wave number regime. However, the frequency of surface wave is found to be always lower than that of the bulk wave for the same quantum wave number. The group velocity of the surface wave for various quantum wave number is also obtained. - Highlights: • High frequency electrostatic wave propagation is investigated in a dense semi-bounded quantum plasma. • The dispersion relation for the surface mode of quantum plasma is derived and numerically analyzed. • The quantum effect enhances the frequency of the wave especially in the high wave number regime. • The frequency of surface wave is found to be always lower than that of the bulk wave. • The group velocity of the surface wave for various quantum wave number is also obtained.

  12. Potential Environmental Factors Affecting Oil-Degrading Bacterial Populations in Deep and Surface Waters of the Northern Gulf of Mexico.

    Science.gov (United States)

    Liu, Jiqing; Bacosa, Hernando P; Liu, Zhanfei

    2016-01-01

    Understanding bacterial community dynamics as a result of an oil spill is important for predicting the fate of oil released to the environment and developing bioremediation strategies in the Gulf of Mexico. In this study, we aimed to elucidate the roles of temperature, water chemistry (nutrients), and initial bacterial community in selecting oil degraders through a series of incubation experiments. Surface (2 m) and bottom (1537 m) waters, collected near the Deepwater Horizon site, were amended with 200 ppm light Louisiana sweet crude oil and bacterial inoculums from surface or bottom water, and incubated at 4 or 24°C for 50 days. Bacterial community and residual oil were analyzed by pyrosequencing and gas chromatography-mass spectrometry (GC-MS), respectively. The results showed that temperature played a key role in selecting oil-degrading bacteria. Incubation at 4°C favored the development of Cycloclasticus, Pseudoalteromonas , Sulfitobacter , and Reinekea , while 24°C incubations enhanced Oleibacter, Thalassobius, Phaeobacter, and Roseobacter. Water chemistry and the initial community also had potential roles in the development of hydrocarbon-degrading bacterial communities. Pseudoalteromonas , Oleibacter , and Winogradskyella developed well in the nutrient-enriched bottom water, while Reinekea and Thalassobius were favored by low-nutrient surface water. We revealed that the combination of 4°C, crude oil and bottom inoculum was a key factor for the growth of Cycloclasticus , while the combination of surface inoculum and bottom water chemistry was important for the growth of Pseudoalteromonas . Moreover, regardless of the source of inoculum, bottom water at 24°C was a favorable condition for Oleibacter. Redundancy analysis further showed that temperature and initial community explained 57 and 19% of the variation observed, while oil and water chemistry contributed 14 and 10%, respectively. Overall, this study revealed the relative roles of temperature, water

  13. Reach-scale variation surface water quality in a reticular canal system in the lower Yangtze River Delta region, China.

    Science.gov (United States)

    Griffiths, James Andrew; Chan, Faith Ka Shun; Zhu, Fangfang; Wang, Vickie; Higgitt, David Laurence

    2017-07-01

    The aim of this research was to assess the spatial and temporal distribution of surface water pollution within a reticular canal system typical of those found in the lower Yangtze River Delta (YRD). For this purpose, surface water quality data was collected from a drainage canal that bisected the southeast district of Ningbo Municipality (Zhejiang) from 2013 to 2015. The sampling transect was designed to represent the change in land-use from the agriculture dominated rural hinterland, to the predominantly urban city-centre. To calculate the representative land-use fraction of each sampling location, the contributing area was defined using an uni-directional 1 km vector line-buffer around the 'upstream' section of canal. The spatial and temporal variation of EC, DO, NH 3 and turbidity indicated a measureable difference between the urban and rural sections of the channel. Water quality indicators were most sensitive to urban and parkland land-use types. The study yielded an increased spatial resolution to knowledge of water-quality variability in the urban environment compared to previous studies within the YRD region. The results were used to make recommendations for the development of an effective long-term strategy for the improvement in surface water quality in this region. Copyright © 2017 Elsevier Ltd. All rights reserved.

  14. Interspecific variation in potential importance of planktivorous damselfishes as predators of Acanthaster sp. eggs

    Science.gov (United States)

    Cowan, Zara-Louise; Ling, Scott D.; Dworjanyn, Symon A.; Caballes, Ciemon F.; Pratchett, Morgan S.

    2017-06-01

    Coral-eating crown-of-thorns starfish ( Acanthaster sp.) often exhibit dramatic population outbreaks, suggesting that their local abundance may be relatively unchecked by predators. This may be due to high concentrations of anti-predator chemicals (saponins and plancitoxins), but the effectiveness of chemical deterrents in protecting Acanthaster sp., especially spawned eggs, from predation remains controversial. We show that planktivorous damselfishes will readily consume food pellets with low proportions (≤80%) of eggs of crown-of-thorns starfish. However, all fishes exhibited increasing rejection of food pellets with higher proportions of starfish eggs, suggesting that chemicals in eggs of crown-of-thorns starfish do deter potential predators. Interestingly, palatability thresholds varied greatly among the nine species of planktivorous fish tested. Most notably, Amblyglyphidodon curacao consumed food pellets comprising 100% starfish eggs 1.5 times more than any other fish species, and appeared largely insensitive to increases in the concentration of starfish eggs. After standardising for size, smaller fish species consumed a disproportionate amount of pellets comprising high proportions of starfish eggs, indicating that abundant small-bodied fishes could be particularly important in regulating larval abundance and settlement success of crown-of-thorns starfish. Collectively, this study shows that reef fishes vary in their tolerance to anti-predator chemicals in crown-of-thorns starfish and may represent important predators on early life-history stages.

  15. Variations in interpulse interval of double action potentials during propagation in single neurons.

    Science.gov (United States)

    Villagran-Vargas, Edgar; Rodríguez-Sosa, Leonardo; Hustert, Reinhold; Blicher, Andreas; Laub, Katrine; Heimburg, Thomas

    2013-02-01

    In this work, we analyzed the interpulse interval (IPI) of doublets and triplets in single neurons of three biological models. Pulse trains with two or three spikes originate from the process of sensory mechanotransduction in neurons of the locust femoral nerve, as well as through spontaneous activity both in the abdominal motor neurons and the caudal photoreceptor of the crayfish. We show that the IPI for successive low-frequency single action potentials, as recorded with two electrodes at two different points along a nerve axon, remains constant. On the other hand, IPI in doublets either remains constant, increases or decreases by up to about 3 ms as the pair propagates. When IPI increases, the succeeding pulse travels at a slower speed than the preceding one. When IPI is reduced, the succeeding pulse travels faster than the preceding one and may exceed the normal value for the specific neuron. In both cases, IPI increase and reduction, the speed of the preceding pulse differs slightly from the normal value, therefore the two pulses travel at different speeds in the same nerve axon. On the basis of our results, we may state that the effect of attraction or repulsion in doublets suggests a tendency of the spikes to reach a stable configuration. We strongly suggest that the change in IPI during spike propagation of doublets opens up a whole new realm of possibilities for neural coding and may have major implications for understanding information processing in nervous systems. Copyright © 2012 Wiley Periodicals, Inc.

  16. Spatial variation in carbon and nitrogen in cultivated soils in Henan Province, China: potential effect on crop yield.

    Directory of Open Access Journals (Sweden)

    Xuelin Zhang

    Full Text Available Improved management of soil carbon (C and nitrogen (N storage in agro-ecosystems represents an important strategy for ensuring food security and sustainable agricultural development in China. Accurate estimates of the distribution of soil C and N stores and their relationship to crop yield are crucial to developing appropriate cropland management policies. The current study examined the spatial variation of soil organic C (SOC, total soil N (TSN, and associated variables in the surface layer (0-40 cm of soils from intensive agricultural systems in 19 counties within Henan Province, China, and compared these patterns with crop yield. Mean soil C and N concentrations were 14.9 g kg(-1 and 1.37 g kg(-1, respectively, whereas soil C and N stores were 4.1 kg m(-2 and 0.4 kg m(-2, respectively. Total crop production of each county was significantly, positively related to SOC, TSN, soil C and N store, and soil C and N stock. Soil C and N were positively correlated with soil bulk density but negatively correlated with soil porosity. These results indicate that variations in soil C could regulate crop yield in intensive agricultural systems, and that spatial patterns of C and N levels in soils may be regulated by both climatic factors and agro-ecosystem management. When developing suitable management programs, the importance of soil C and N stores and their effects on crop yield should be considered.

  17. Late Holocene variations in Pacific surface circulation and biogeochemistry inferred from proteinaceous deep-sea corals

    Science.gov (United States)

    Guilderson, T. P.; McCarthy, M. D.; Dunbar, R. B.; Englebrecht, A.; Roark, E. B.

    2013-09-01

    δ15N and δ13C data obtained from samples of proteinaceous deep-sea corals collected from the North Pacific Subtropical Gyre (Hawaiian Archipelago) and the central equatorial Pacific (Line Islands) document multidecadal to century-scale variability in the isotopic composition of surface-produced particulate organic matter exported to the deep sea. Comparison of the δ13C data, where Line Islands samples are 0.6‰ more positive than the Hawaiian samples, supports the contention that the North Pacific Subtropical Gyre is more efficient than the tropical upwelling system at trapping and/or recycling nutrients within the mixed layer. δ15N values from the Line Islands samples are also more positive than those from the central gyre, and within the Hawaiian samples there is a gradient with more positive δ15N values in samples from the main Hawaiian Islands versus the French Frigate Shoals in the Northwestern Hawaiian Islands. The gradient in the Hawaiian samples likely reflects the relative importance of algal acquisition of metabolic N via dissolved seawater nitrate uptake versus nitrogen fixation. The Hawaiian sample set also exhibits a strong decrease in δ15N values from the mid-Holocene to present. We hypothesize that this decrease is most likely the result of decreasing trade winds, and possibly a commensurate decrease in entrainment of more positive δ15N-NO3 subthermocline water masses.

  18. Late Holocene variations in Pacific surface circulation and biogeochemistry inferred from proteinaceous deep-sea corals

    Directory of Open Access Journals (Sweden)

    T. P. Guilderson

    2013-09-01

    Full Text Available δ15N and δ13C data obtained from samples of proteinaceous deep-sea corals collected from the North Pacific Subtropical Gyre (Hawaiian Archipelago and the central equatorial Pacific (Line Islands document multidecadal to century-scale variability in the isotopic composition of surface-produced particulate organic matter exported to the deep sea. Comparison of the δ13C data, where Line Islands samples are 0.6‰ more positive than the Hawaiian samples, supports the contention that the North Pacific Subtropical Gyre is more efficient than the tropical upwelling system at trapping and/or recycling nutrients within the mixed layer. δ15N values from the Line Islands samples are also more positive than those from the central gyre, and within the Hawaiian samples there is a gradient with more positive δ15N values in samples from the main Hawaiian Islands versus the French Frigate Shoals in the Northwestern Hawaiian Islands. The gradient in the Hawaiian samples likely reflects the relative importance of algal acquisition of metabolic N via dissolved seawater nitrate uptake versus nitrogen fixation. The Hawaiian sample set also exhibits a strong decrease in δ15N values from the mid-Holocene to present. We hypothesize that this decrease is most likely the result of decreasing trade winds, and possibly a commensurate decrease in entrainment of more positive δ15N-NO3 subthermocline water masses.

  19. Resolution potential of surface wave phase velocity measurements at small arrays

    Science.gov (United States)

    Bodin, Thomas; Maupin, Valérie

    2008-02-01

    The deployment of temporary arrays of broadband seismological stations over dedicated targets is common practice. Measurement of surface wave phase velocity across a small array and its depth-inversion gives us information about the structure below the array which is complementary to the information obtained from body-wave analysis. The question is however: what do we actually measure when the array is much smaller than the wave length, and how does the measured phase velocity relates to the real structure below the array? We quantify this relationship by performing a series of numerical simulations of surface wave propagation in 3-D structures and by measuring the apparent phase velocity across the array on the synthetics. A principal conclusion is that heterogeneities located outside the array can map in a complex way onto the phase velocities measured by the array. In order to minimize this effect, it is necessary to have a large number of events and to average measurements from events well-distributed in backazimuth. A second observation is that the period of the wave has a remarkably small influence on the lateral resolution of the measurement, which is dominantly controlled by the size of the array. We analyse if the artefacts created by heterogeneities can be mistaken for azimuthal variations caused by anisotropy. We also show that if the amplitude of the surface waves can be measured precisely enough, phase velocities can be corrected and the artefacts which occur due to reflections and diffractions in 3-D structures greatly reduced.

  20. Electrical potential-assisted DNA hybridization. How to mitigate electrostatics for surface DNA hybridization.

    Science.gov (United States)

    Tymoczko, Jakub; Schuhmann, Wolfgang; Gebala, Magdalena

    2014-12-24

    Surface-confined DNA hybridization reactions are sensitive to the number and identity of DNA capture probes and experimental conditions such as the nature and the ionic strength of the electrolyte solution. When the surface probe density is high or the concentration of bulk ions is much lower than the concentration of ions within the DNA layer, hybridization is significantly slowed down or does not proceed at all. However, high-density DNA monolayers are attractive for designing high-sensitivity DNA sensors. Thus, circumventing sluggish DNA hybridization on such interfaces allows a high surface concentration of target DNA and improved signal/noise ratio. We present potential-assisted hybridization as a strategy in which an external voltage is applied to the ssDNA-modified interface during the hybridization process. Results show that a significant enhancement of hybridization can be achieved using this approach.

  1. Potentialities of some surface characterization techniques for the development of titanium biomedical alloys

    Directory of Open Access Journals (Sweden)

    P.S. Vanzillotta

    2004-09-01

    Full Text Available Bone formation around a metallic implant is a complex process that involves micro- and nanometric interactions. Several surface treatments, including coatings were developed in order to obtain faster osseointegration. To understand the role of these surface treatments on bone formation it is necessary to choose adequate characterization techniques. Among them, we have selected electron microscopy, profilometry, atomic force microscopy (AFM and X-ray photoelectron spectroscopy (XPS to describe them briefly. Examples of the potentialities of these techniques on the characterization of titanium for biomedical applications were also presented and discussed. Unfortunately more than one technique is usually necessary to describe conveniently the topography (scanning electron microsocopy, profilometry and/or AFM and the chemical state (XPS of the external layer of the material surface. The employment of the techniques above described can be useful especially for the development of new materials or products.

  2. Metrological Aspects of Surface Topographies Produced by Different Machining Operations Regarding Their Potential Functionality

    Directory of Open Access Journals (Sweden)

    Żak Krzysztof

    2017-06-01

    Full Text Available This paper presents a comprehensive methodology for measuring and characterizing the surface topographies on machined steel parts produced by precision machining operations. The performed case studies concern a wide spectrum of topographic features of surfaces with different geometrical structures but the same values of the arithmetic mean height Sa. The tested machining operations included hard turning operations performed with CBN tools, grinding operations with Al2O3 ceramic and CBN wheels and superfinish using ceramic stones. As a result, several characteristic surface textures with the Sa roughness parameter value of about 0.2 μm were thoroughly characterized and compared regarding their potential functional capabilities. Apart from the standard 2D and 3D roughness parameters, the fractal, motif and frequency parameters were taken in the consideration.

  3. Potential shifts in dominant forest cover in interior Alaska driven by variations in fire severity.

    Science.gov (United States)

    Barrett, K; McGuire, A D; Hoy, E E; Kasischke, E S

    2011-10-01

    Large fire years in which >1% of the landscape burns are becoming more frequent in the Alaskan (USA) interior, with four large fire years in the past 10 years, and 79 000 km2 (17% of the region) burned since 2000. We modeled fire severity conditions for the entire area burned in large fires during a large fire year (2004) to determine the factors that are most important in estimating severity and to identify areas affected by deep-burning fires. In addition to standard methods of assessing severity using spectral information, we incorporated information regarding topography, spatial pattern of burning, and instantaneous characteristics such as fire weather and fire radiative power. Ensemble techniques using regression trees as a base learner were able to determine fire severity successfully using spectral data in concert with other relevant geospatial data. This method was successful in estimating average conditions, but it underestimated the range of severity. This new approach was used to identify black spruce stands that experienced intermediate- to high-severity fires in 2004 and are therefore susceptible to a shift in regrowth toward deciduous dominance or mixed dominance. Based on the output of the severity model, we estimate that 39% (approximately 4000 km2) of all burned black spruce stands in 2004 had fire years, the effect of such years in the most recent decade has been to reduce black spruce stands by 4.2% and to increase areas dominated or co-dominated by deciduous forest stands by 20%. Such disturbance-driven modifications have the potential to affect the carbon cycle and climate system at regional to global scales.

  4. Genetic variation in potential Giardia vaccine candidates cyst wall protein 2 and α1-giardin.

    Science.gov (United States)

    Radunovic, Matej; Klotz, Christian; Saghaug, Christina Skår; Brattbakk, Hans-Richard; Aebischer, Toni; Langeland, Nina; Hanevik, Kurt

    2017-08-01

    Giardia is a prevalent intestinal parasitic infection. The trophozoite structural protein a1-giardin (a1-g) and the cyst protein cyst wall protein 2 (CWP2) have shown promise as Giardia vaccine antigen candidates in murine models. The present study assesses the genetic diversity of a1-g and CWP2 between and within assemblages A and B in human clinical isolates. a1-g and CWP2 sequences were acquired from 15 Norwegian isolates by PCR amplification and 20 sequences from German cultured isolates by whole genome sequencing. Sequences were aligned to reference genomes from assemblage A2 and B to identify genetic variance. Genetic diversity was found between assemblage A and B reference sequences for both a1-g (90.8% nucleotide identity) and CWP2 (82.5% nucleotide identity). However, for a1-g, this translated into only 3 amino acid (aa) substitutions, while for CWP2 there were 41 aa substitutions, and also one aa deletion. Genetic diversity within assemblage B was larger; nucleotide identity 92.0% for a1-g and 94.3% for CWP2, than within assemblage A (nucleotide identity 99.0% for a1-g and 99.7% for CWP2). For CWP2, the diversity on both nucleotide and protein level was higher in the C-terminal end. Predicted antigenic epitopes were not affected for a1-g, but partially for CWP2. Despite genetic diversity in a1-g, we found aa sequence, characteristics, and antigenicity to be well preserved. CWP2 showed more aa variance and potential antigenic differences. Several CWP2 antigens might be necessary in a future Giardia vaccine to provide cross protection against both Giardia assemblages infecting humans.

  5. Stair-Step Particle Flux Spectra on the Lunar Surface: Evidence for Nonmonotonic Potentials?

    Science.gov (United States)

    Collier, Michael R.; Newheart, Anastasia; Poppe, Andrew R.; Hills, H. Kent; Farrell, William M.

    2016-01-01

    We present examples of unusual "stair-step" differential flux spectra observed by the Apollo 14 Suprathermal Ion Detector Experiment on the lunar dayside surface in Earth's magnetotail. These spectra exhibit a relatively constant differential flux below some cutoff energy and then drop off precipitously, by about an order of magnitude or more, at higher energies. We propose that these spectra result from photoions accelerated on the lunar dayside by nonmonotonic potentials (i.e.,potentials that do not decay to zero monotonically) and present a model for the expected differential flux. The energy of the cutoff and the magnitude of the differential flux are related to the properties of the local space environment and are consistent with the observed flux spectra. If this interpretation is correct, these surface-based ion observations provide a unique perspective that both complements and enhances the conclusions obtained by remote-sensing orbiter observations on the Moon's exospheric and electrostatic properties.

  6. Prediction of Tetraoxygen Reaction Mechanism with Sulfur Atom on the Singlet Potential Energy Surface

    Directory of Open Access Journals (Sweden)

    Ashraf Khademzadeh

    2014-01-01

    Full Text Available The mechanism of S+O4 (D2h reaction has been investigated at the B3LYP/6-311+G(3df and CCSD levels on the singlet potential energy surface. One stable complex has been found for the S+O4 (D2h reaction, IN1, on the singlet potential energy surface. For the title reaction, we obtained four kinds of products at the B3LYP level, which have enough thermodynamic stability. The results reveal that the product P3 is spontaneous and exothermic with −188.042 and −179.147 kcal/mol in Gibbs free energy and enthalpy of reaction, respectively. Because P1 adduct is produced after passing two low energy level transition states, kinetically, it is the most favorable adduct in the 1S+1O4 (D2h atmospheric reactions.

  7. Reaction Mechanisms on Multiwell Potential Energy Surfaces in Combustion (and Atmospheric) Chemistry

    International Nuclear Information System (INIS)

    Osborn, David L.

    2017-01-01

    Chemical reactions occurring on a potential energy surface with multiple wells are ubiquitous in low temperature combustion and the oxidation of volatile organic compounds in earth’s atmosphere. The rich variety of structural isomerizations that compete with collisional stabilization make characterizing such complex-forming reactions challenging. This review describes recent experimental and theoretical advances that deliver increasingly complete views of their reaction mechanisms. New methods for creating reactive intermediates coupled with multiplexed measurements provide many experimental observables simultaneously. Automated methods to explore potential energy surfaces can uncover hidden reactive pathways, while master equation methods enable a holistic treatment of both sequential and well-skipping pathways. Our ability to probe and understand nonequilibrium effects and reaction sequences is increasing. These advances provide the fundamental science base for predictive models of combustion and the atmosphere that are crucial to address global challenges.

  8. Reaction Mechanisms on Multiwell Potential Energy Surfaces in Combustion (and Atmospheric) Chemistry

    Science.gov (United States)

    Osborn, David L.

    2017-05-01

    Chemical reactions occurring on a potential energy surface with multiple wells are ubiquitous in low-temperature combustion and in the oxidation of volatile organic compounds in Earth's atmosphere. The rich variety of structural isomerizations that compete with collisional stabilization makes characterizing such complex-forming reactions challenging. This review describes recent experimental and theoretical advances that deliver increasingly complete views of their reaction mechanisms. New methods for creating reactive intermediates coupled with multiplexed measurements provide many experimental observables simultaneously. Automated methods to explore potential energy surfaces can uncover hidden reactive pathways, and master equation methods enable a holistic treatment of both sequential and well-skipping pathways. Our ability to probe and understand nonequilibrium effects and reaction sequences is increasing. These advances provide the fundamental science base for predictive models of combustion and the atmosphere that are crucial to address global challenges.

  9. Systematic and efficient navigating potential energy surface: Data for silver doped gold clusters

    Directory of Open Access Journals (Sweden)

    Vitaly V. Chaban

    2016-06-01

    Full Text Available Locating global minimum of certain atomistic ensemble is known to be a highly challenging and resource consuming task. This dataset represents joint usage of the semi-empirical PM7 Hamiltonian, Broyden–Fletcher–Goldfarb–Shanno algorithm and basin hopping scheme to navigate a potential energy surface. The Au20 nanocluster was used for calibration as its global minimum structure is well-known. Furthermore, Au18Ag2 and Au15Ag5 were simulated for illustration of the algorithm performance. The work shows encouraging results and, particularly, underlines proper accuracy of PM7 as applied to this type of heavy metal systems. The reported dataset motivates to use the benchmarked method for studying potential energy surfaces of manifold systems and locate their global-minimum atomistic configurations.

  10. Dynamical image potential and induced forces for charged particles moving parallel to a solid surface

    International Nuclear Information System (INIS)

    Arista, N.R.

    1994-01-01

    The dynamical image potential and ensuing forces induced by a charged particle moving parallel to a solid surface are investigated by using a dielectric formulation for semi-infinite dispersive media. The adiabatic behavior of the field in the asymptotic range is discussed in a general way using a multipole expansion. Several calculations illustrate the behavior of the field using both a simple model, where the surface response is approximated by a single plasma resonance, and a more realistic representation of the medium based upon the empirical information on the optical constants for various solids (Al, Cu, Ag, and Au). The model parameters may be adjusted to provide very good agreement with the optical-data integrations of the stopping and lateral forces on the moving charge. On the other hand, important differences in the description of the wake potential using either the simple plasma resonance model, or the optical-data representation, are obtained for Cu, Ag, and Au

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

    Directory of Open Access Journals (Sweden)

    Kevkić Tijana

    2016-01-01

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

  12. Evaluation of the immunodiagnostic potential of a recombinant surface protein domain from Acanthamoeba castellanii.

    Science.gov (United States)

    Sánchez, Alemao G Carpinteyro; Virginio, Veridiana Gomes; Maschio, Vinicius José; Ferreira, Henrique Bunselmeyer; Rott, Marilise Brittes

    2016-10-01

    Acanthamoeba spp. are free-living protists widely distributed in environment, able to cause keratitis, encephalitis and skin lesions in humans and animals. Acanthamoeba spp. exist in two forms: an infective trophozoite and a dormant cyst. Several factors contribute to the pathogenesis of Acanthamoeba spp. The parasite adhesion to the host cell is the primary step for infection and is mediated by a mannose binding-protein, expressed in the surface and considered the main pathogenicity factor in Acanthamoeba spp. So far, there was no evidence of another surface protein of Acanthamoeba spp. relevant for host invasion or infection by these organisms. The aims of this study were to identify and characterize an Acanthamoeba castellanii surface protein and to evaluate its diagnostic potential. In silico predictions of surface proteins allowed to identify the A. castellanii calreticulin as a possible surface antigen. The coding sequence of a predicted extracellular domain of A. castellanii calreticulin was cloned by in vivo homologous recombination and the recombinant polypeptide (AcCRT29-130) was produced. Its immunodiagnostic potential was assessed in a recombinant antigen-based ELISA with sera from experimentally infected rats that developed keratitis and encephalitis, and sera from patients with encephalitis. The AcCRT29-130 was significantly more recognized by sera from encephalitis infected rats in comparison with the non-infected controls. Human sera from encephalitis patients, however presented no significant response. These results showed the AcCRT29-130 potential for A. castellanii infection immunodiagnosis in animals, with further studies being required for assessment of its use for human infections.

  13. Exploring a potential energy surface by machine learning for characterizing atomic transport

    Science.gov (United States)

    Kanamori, Kenta; Toyoura, Kazuaki; Honda, Junya; Hattori, Kazuki; Seko, Atsuto; Karasuyama, Masayuki; Shitara, Kazuki; Shiga, Motoki; Kuwabara, Akihide; Takeuchi, Ichiro

    2018-03-01

    We propose a machine-learning method for evaluating the potential barrier governing atomic transport based on the preferential selection of dominant points for atomic transport. The proposed method generates numerous random samples of the entire potential energy surface (PES) from a probabilistic Gaussian process model of the PES, which enables defining the likelihood of the dominant points. The robustness and efficiency of the method are demonstrated on a dozen model cases for proton diffusion in oxides, in comparison with a conventional nudge elastic band method.

  14. Physisorbed H{sub 2}@Cu(100) surface: Potential and spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Bernard, Eddy; Houriez, Céline; Mitrushchenkov, Alexander O.; Guitou, Marie; Chambaud, Gilberte, E-mail: gilberte.chambaud@univ-mlv.fr [Université Paris-Est, Laboratoire Modélisation et Simulation Multi-Echelle, UMR 8208 CNRS, 5 Boulevard Descartes, Champs sur Marne, F-77454 Marne-la-Vallée (France)

    2015-02-07

    Using an embedding approach, a 2-D potential energy function has been calculated to describe the physisorption interaction of H{sub 2} with a Cu(100) surface. For this purpose, a cluster model of the system calculated with highly correlated wavefunctions is combined with a periodic Density-Functional-Theory method using van der Waals-DF2 functional. Rotational and vibrational energy levels of physisorbed H{sub 2}, as well as D{sub 2} and HD, are calculated using the 2D embedding corrected potential energy function. The calculated transitions are in a very good agreement with Electron-Energy-Loss-Spectroscopy observations.

  15. Rotational Energy Transfer of N2 Gas Determined Using a New Ab Initio Potential Energy Surface

    Science.gov (United States)

    Huo, Winifred M.; Stallcop, James R.; Partridge, Harry; Langhoff, Stephen R. (Technical Monitor)

    1997-01-01

    Rotational energy transfer between two N2 molecules is a fundamental process of some importance. Exchange is expected to play a role, but its importance is somewhat uncertain. Rotational energy transfer cross sections of N2 also have applications in many other fields including modeling of aerodynamic flows, laser operations, and linewidth analysis in nonintrusive laser diagnostics. A number of N2-N2 rigid rotor potential energy surface (PES) has been reported in the literature.

  16. Computed Potential Energy Surfaces and Minimum Energy Pathways for Chemical Reactions

    Science.gov (United States)

    Walch, Stephen P.; Langhoff, S. R. (Technical Monitor)

    1994-01-01

    Computed potential energy surfaces are often required for computation of such parameters as rate constants as a function of temperature, product branching ratios, and other detailed properties. For some dynamics methods, global potential energy surfaces are required. In this case, it is necessary to obtain the energy at a complete sampling of all the possible arrangements of the nuclei, which are energetically accessible, and then a fitting function must be obtained to interpolate between the computed points. In other cases, characterization of the stationary points and the reaction pathway connecting them is sufficient. These properties may be readily obtained using analytical derivative methods. We have found that computation of the stationary points/reaction pathways using CASSCF/derivative methods, followed by use of the internally contracted CI method to obtain accurate energetics, gives usefull results for a number of chemically important systems. The talk will focus on a number of applications including global potential energy surfaces, H + O2, H + N2, O(3p) + H2, and reaction pathways for complex reactions, including reactions leading to NO and soot formation in hydrocarbon combustion.

  17. A GIS Approach to Wind,SST(Sea Surface Temperature) and CHL(Chlorophyll) variations in the Caspian Sea

    Science.gov (United States)

    Mirkhalili, Seyedhamzeh

    2016-07-01

    Chlorophyll is an extremely important bio-molecule, critical in photosynthesis, which allows plants to absorb energy from light. At the base of the ocean food web are single-celled algae and other plant-like organisms known as Phytoplankton. Like plants on land, Phytoplankton use chlorophyll and other light-harvesting pigments to carry out photosynthesis. Where Phytoplankton grow depends on available sunlight, temperature, and nutrient levels. In this research a GIS Approach using ARCGIS software and QuikSCAT satellite data was applied to visualize WIND,SST(Sea Surface Temperature) and CHL(Chlorophyll) variations in the Caspian Sea.Results indicate that increase in chlorophyll concentration in coastal areas is primarily driven by terrestrial nutrients and does not imply that warmer SST will lead to an increase in chlorophyll concentration and consequently Phytoplankton abundance.

  18. A Torque Error Compensation Algorithm for Surface Mounted Permanent Magnet Synchronous Machines with Respect to Magnet Temperature Variations

    Directory of Open Access Journals (Sweden)

    Chang-Seok Park

    2017-09-01

    Full Text Available This paper presents a torque error compensation algorithm for a surface mounted permanent magnet synchronous machine (SPMSM through real time permanent magnet (PM flux linkage estimation at various temperature conditions from medium to rated speed. As known, the PM flux linkage in SPMSMs varies with the thermal conditions. Since a maximum torque per ampere look up table, a control method used for copper loss minimization, is developed based on estimated PM flux linkage, variation of PM flux linkage results in undesired torque development of SPMSM drives. In this paper, PM flux linkage is estimated through a stator flux linkage observer and the torque error is compensated in real time using the estimated PM flux linkage. In this paper, the proposed torque error compensation algorithm is verified in simulation and experiment.

  19. Causes of global mean surface temperature slowdowns, trends and variations from months to a century, 1891-2015

    Science.gov (United States)

    Folland, C. K.; Boucher, O.; Colman, A.; Parker, D. E.

    2017-12-01

    The recent slowdown in the warming of global mean surface temperature (GST) has highlighted the influences of natural variability. This talk discusses reconstructions of the variations of GST down to the monthly time scale since 1891 using monthly forcing data. We show that most of the variations in annual, and to some extent sub-annual, GST since 1891 can be reproduced skillfully from known forcing factors external and internal to the climate system. This includes the slowdown in warming over about 1998-2013 where reconstruction skill is particularly high down to the multi-monthly time scale. The relative contributions of the several key forcing factors to GST continually vary, but most of the net warming since 1891 is reconstructed to be attributable to the net forcing due to increasing greenhouse gases and anthropogenic aerosols. Separate analyses are carried out for three periods of GST slowdown:- 1896-1910, 1941-1976, together with 1998-2013 and some of its sub periods. We also study two periods where strong warming occurred, 1911-1940 and 1977-1997. Comparisons are made with the skill of average GST provided by 40 CMIP5 models. In the recent 1998-2013 slowdown, TSI forcing appears to have caused significant cooling, particularly over 2001-2010. This is additional to well documented cooling effects of an increased frequency of La Nina events, a negative Interdecadal Pacific Oscillation and some increases in volcanic forcing. Although there are short-term features of the GST curve since 1891 that cannot be fully explained, the most serious disagreements between the reconstructions and observations occur in the Second World War, especially in 1944-1945. Here observed near worldwide SSTs may be biased significantly too warm. Despite this, our generally high reconstruction skill is consistent with a good understanding of the multiple causes of observed GST variations and the general veracity of the GST record since 1891.

  20. Vertical variation of potential mobility of heavy metal in sediment to groundwater of the Kanto plain, Japan

    Science.gov (United States)

    Hossain, S.; Hachinohe, S.; Ishiyama, T.; Hamamoto, H.; Oguchi, C. T.

    2014-12-01

    Heavy metals release from sediment may occur due to sediment water interaction under different changing environmental conditions. This has substantial influence on groundwater quality. However, identification of potentially mobile fractions of metals like Cu, Cr, Ni, Pb, Zn, Fe, Mn and Ti requires for the sustainable land and groundwater development and pollution management. 44 sediment and pore water samples at 1 m interval were analyzed from a vertical profile beneath the Naka river at the bottom of Central Kanto plain, Japan. Sequential extraction method was applied to determine potentially mobile forms of metals such as water soluble, ion exchangeable, acid soluble and Fe-Mn oxide bound. Metals were determined using X-Ray Fluorescence, Inductively coupled plasma atomic emission and mass spectrometer. Analyses show that potential mobility is high in river bed, volcanic ash mix, marine and transitional clayey silt. Metal mobility was higher in lower gravelly aquifer than upper sandy aquifer. Potential mobility and bioavailability of Zn, Cu, Ni, Pb and Mn are very high in river bed sediment which may pose threat to river bottom aquatic system. Zn, Cu and Ni concentration in pore water is high in river bed and peat bearing sediment. In pore water of marine and transitional sediment ion concentration such as Ca2+ and SO42- is very high indicating high mobility of Calcium and Sulfur from sediment as no significant variation observed in total content. In vertical profile, potential mobility tendency of metal in sediment trends to be Zn > Cu > Ni > Cr > Pb > Mn > Fe > Ti. Current study indicates low potential mobility and pollution risk to groundwater due to overall low metal concentration in pore water and high portion of metals attached with sediment as Fe-Mn oxide bound. More over under strong reducing condition considerable amount of metals will release and pollute groundwater.

  1. Surface potential at the hematite (001) crystal plane in aqueous environments and the effects of prolonged aging in water

    Science.gov (United States)

    Lützenkirchen, Johannes; Preočanin, Tajana; Stipić, Filip; Heberling, Frank; Rosenqvist, Jörgen; Kallay, Nikola

    2013-11-01

    The surface potentials of a (0 0 1) terminated hematite crystal that was annealed at high-temperature were measured as a function of pH by means of the corresponding single crystal electrode. The surface potential at a given pH did not depend on the electrolyte concentration, and was found to exhibit an inflection point. The shape of the function is in phenomenological agreement with the presence of two distinct surface terminations (O and Fe) that have been previously reported for this surface. Aging of the annealed hematite surface, in aqueous electrolyte medium over 2 weeks, leads to a drastic change in the surface potential pH curve. The surface potential becomes that of the ideal O termination. While the O termination data can be modeled using the MUSIC approach, the initial sample that is expected to correspond to the two-domain surface with O and Fe terminations cannot be described within the MUSIC approach based on previously published surface diffraction data. However, the experimental data fall between the O and Fe termination limiting cases when the point of zero potential is placed at the inflection point. The fact that a surface with the two terminations cannot be modeled may be attributed to various issues, three of which are discussed: (i) the general difficulty to average the potential arising from both terminations, which furthermore are short-circuited via the crystal, (ii) the difficulty of treating patchwise heterogeneous surfaces in surface complexation models, and (iii) the incapability of surface complexation models in their present form to describe potential gradients within the solid. Conclusively, we interpret our results as a transformation from a bi-domain surface, to a single domain surface over time under conditions where bulk hematite solubility is low. Accordingly, the oxygen terminated domain should be the more stable one at this single crystal surface at our experimental conditions.

  2. The variation in visibility and its relationship with surface wind speed in China from 1960 to 2009

    Science.gov (United States)

    Sun, Tianze; Che, Huizheng; Wu, Jian; Wang, Hong; Wang, Yaqiang; Zhang, Xiaoye

    2018-01-01

    This study used daily visibility and surface wind speed observational data over the 50-year period from 1960 to 2009, from 464 national meteorological stations in China, to examine the relationship between these two variables. Specifically, using the statistical methods of empirical orthogonal function (EOF) analysis and wavelet analysis, the data were processed into anomaly data to study their spatial and temporal distributions and the characteristics of each pattern's periodicity after EOF analysis of the whole country's visibility and surface wind speed. Correlation analysis and composite analysis were then used to elucidate the relationship between the two variables on different time scales. The results showed a gradual reduction in visibility nationally, with the nine-point moving mean implying decadal variability of the visibility with a downward trend. However, an irregular oscillation was found for the inter-annual variability of visibility. For the anomaly series of visibility during the 50-year period, a long-period oscillation of around 32 years was apparent. Up until the 1990s, there was an approximate 16-year medium-term oscillation period, whereas, after the 1990s, an approximate 8-year oscillation period was generated. In terms of high correlation between the two variables, for the decadal variability, the changes in visibility and surface wind speed at this time scale were almost in agreement. Meanwhile, with respect to the serious pollution in the Yangtze River Delta Economic Zone, the correlation between the two variables was reasonably high, suggesting that surface wind had a significant influence on the scattering of aerosol particles. However, in the Sichuan Basin, the correlation was relatively low, possibly on account of its landscape limiting the variation of wind speed.

  3. Effects of strong earthquakes in variations of electrical and meteorological parameters of the near-surface atmosphere in Kamchatka region

    Science.gov (United States)

    Smirnov, S. E.; Mikhailova, G. A.; Mikhailov, Yu. M.; Kapustina, O. V.

    2017-09-01

    The diurnal variations in electrical (quasistatic electric field and electrical conductivity) and meteorological (temperature, pressure, relative humidity of the atmosphere, and wind speed) parameters, measured simultaneously before strong earthquakes in Kamchatka region (November 15, 2006, M = 8.3; January 13, 2007, M = 8.1; January 30, 2016, M = 7.2), are studied for the first time in detail. It is found that a successively anomalous increase in temperature, despite the negative regular trend in these winter months, was observed in the period of six-seven days before the occurrences of earthquakes. An anomalous temperature increase led to the formation of "winter thunderstorm" conditions in the near-surface atmosphere of Kamchatka region, which was manifested in the appearance of an anomalous, type 2 electrical signal, the amplification of and intensive variations in electrical conductivity, heavy precipitation (snow showers), high relative humidity of air, storm winds, and pressure changes. With the weak flow of natural heat radiation in this season, the observed dynamics of electric and meteorological processes can likely be explained by the appearance of an additional heat source of seismic nature.

  4. Spatial variations of prokaryotic communities in surface water from India Ocean to Chinese marginal seas and their underlining environmental determinants

    Directory of Open Access Journals (Sweden)

    Xiaowei eZheng

    2016-02-01

    Full Text Available To illustrate the biogeographic patterns of prokaryotic communities in surface sea water, 24 samples were systematically collected across a large distance from Indian Ocean to Chinese marginal seas, with an average distance of 453 km between two adjacent stations. A total of 841,364 quality reads was produced by the high throughput DNA sequencing of the 16S rRNA genes. Phylogenetic analysis showed that Proteobacteria were predominant in all samples, with Alphaproteobacteria and Gammaproteobacteria being the two most abundant components. Cyanobacteria represented the second largest fraction of the total quality reads, and mainly included Prochlorococcus and Synechococcus. The semi-closed marginal seas, including South China Sea (SCS and nearby regions, exhibited a transition in community composition between oceanic and coastal seas, based on the distribution patterns of Prochlorococcus and Synechococcus as well as a non-metric multidimensional scaling (NMDS analysis. Distinct clusters of prokaryotes from coastal and open seas, and from different water masses in Indian Ocean were obtained by Bray-Curtis dissimilarity analysis at the OTU level, revealing a clear spatial heterogeneity. The major environmental factors correlated with the community variation in this broad scale were identified as salinity, temperature and geographic distance. Community comparison among regions shows that anthropogenic contamination is another dominant factor in shaping the biogeographic patterns of the microorganisms. These results suggest that environmental factors involved in complex interactions between land and sea act synergistically in driving spatial variations in coastal areas.

  5. CONSTRAINING THE NFW POTENTIAL WITH OBSERVATIONS AND MODELING OF LOW SURFACE BRIGHTNESS GALAXY VELOCITY FIELDS

    International Nuclear Information System (INIS)

    Kuzio de Naray, Rachel; McGaugh, Stacy S.; Mihos, J. Christopher

    2009-01-01

    We model the Navarro-Frenk-White (NFW) potential to determine if, and under what conditions, the NFW halo appears consistent with the observed velocity fields of low surface brightness (LSB) galaxies. We present mock DensePak Integral Field Unit (IFU) velocity fields and rotation curves of axisymmetric and nonaxisymmetric potentials that are well matched to the spatial resolution and velocity range of our sample galaxies. We find that the DensePak IFU can accurately reconstruct the velocity field produced by an axisymmetric NFW potential and that a tilted-ring fitting program can successfully recover the corresponding NFW rotation curve. We also find that nonaxisymmetric potentials with fixed axis ratios change only the normalization of the mock velocity fields and rotation curves and not their shape. The shape of the modeled NFW rotation curves does not reproduce the data: these potentials are unable to simultaneously bring the mock data at both small and large radii into agreement with observations. Indeed, to match the slow rise of LSB galaxy rotation curves, a specific viewing angle of the nonaxisymmetric potential is required. For each of the simulated LSB galaxies, the observer's line of sight must be along the minor axis of the potential, an arrangement that is inconsistent with a random distribution of halo orientations on the sky.

  6. Potential of hyperspectral imaging to assess the stability of mudflat surfaces by mapping sediment characteristics

    Science.gov (United States)

    Smith, Geoff; Thomson, Andrew; Moller, Iris; Kromkamp, Jacco

    2003-03-01

    This work assessed the suitability of hyperspectral data for estimating mudflat surface characteristics related to stability. Due to the inaccessibility of intertidal areas, precise ground-based measurements of mudflat stability are difficult to conduct. Remote sensing can provide full spatial coverage and non-intrusive measurement. As stability changes on mudflats are linked to subtle differences in mudflat surface characteristics, they can potentially be mapped by hyperspectral data. Hyperspectral images were collected along with near contemporary ground measurements. An unsupervised classification gave a map which confirmed that a channel bar was mainly sand whereas soft mud dominated an adjacent embayment. Multiple regression analysis was used to relate surface characteristics to hyperspectral data to construct regression equations. Erosion shear stress was estimated directly from the hyperspectral data and also by a relationship with the surface characteristics. The results of the thematic class map matched well with the known situation at the site during image acquisition. The maps of surface characteristics highlighted the additional information that can be extracted from hyperspectral data. Stability maps, based on the erosion shear stress, can be used as a basis for predicting the likely future behaviour in this dynamic environment and will be of use for coastal zone management.

  7. Fractal analysis as a potential tool for surface morphology of thin films

    Science.gov (United States)

    Soumya, S.; Swapna, M. S.; Raj, Vimal; Mahadevan Pillai, V. P.; Sankararaman, S.

    2017-12-01

    Fractal geometry developed by Mandelbrot has emerged as a potential tool for analyzing complex systems in the diversified fields of science, social science, and technology. Self-similar objects having the same details in different scales are referred to as fractals and are analyzed using the mathematics of non-Euclidean geometry. The present work is an attempt to correlate fractal dimension for surface characterization by Atomic Force Microscopy (AFM). Taking the AFM images of zinc sulphide (ZnS) thin films prepared by pulsed laser deposition (PLD) technique, under different annealing temperatures, the effect of annealing temperature and surface roughness on fractal dimension is studied. The annealing temperature and surface roughness show a strong correlation with fractal dimension. From the regression equation set, the surface roughness at a given annealing temperature can be calculated from the fractal dimension. The AFM images are processed using Photoshop and fractal dimension is calculated by box-counting method. The fractal dimension decreases from 1.986 to 1.633 while the surface roughness increases from 1.110 to 3.427, for a change of annealing temperature 30 ° C to 600 ° C. The images are also analyzed by power spectrum method to find the fractal dimension. The study reveals that the box-counting method gives better results compared to the power spectrum method.

  8. Review: the potential impact of surface crystalline states of titanium for biomedical applications.

    Science.gov (United States)

    Barthes, Julien; Ciftci, Sait; Ponzio, Florian; Knopf-Marques, Helena; Pelyhe, Liza; Gudima, Alexandru; Kientzl, Imre; Bognár, Eszter; Weszl, Miklós; Kzhyshkowska, Julia; Vrana, Nihal Engin

    2018-05-01

    In many biomedical applications, titanium forms an interface with tissues, which is crucial to ensure its long-term stability and safety. In order to exert control over this process, titanium implants have been treated with various methods that induce physicochemical changes at nano and microscales. In the past 20 years, most of the studies have been conducted to see the effect of topographical and physicochemical changes of titanium surface after surface treatments on cells behavior and bacteria adhesion. In this review, we will first briefly present some of these surface treatments either chemical or physical and we explain the biological responses to titanium with a specific focus on adverse immune reactions. More recently, a new trend has emerged in titanium surface science with a focus on the crystalline phase of titanium dioxide and the associated biological responses. In these recent studies, rutile and anatase are the major two polymorphs used for biomedical applications. In the second part of this review, we consider this emerging topic of the control of the crystalline phase of titanium and discuss its potential biological impacts. More in-depth analysis of treatment-related surface crystalline changes can significantly improve the control over titanium/host tissue interface and can result in considerable decreases in implant-related complications, which is currently a big burden on the healthcare system.

  9. Perchlorate formation on Mars through surface radiolysis-initiated atmospheric chemistry: A potential mechanism

    Science.gov (United States)

    Wilson, Eric H.; Atreya, Sushil K.; Kaiser, Ralf I.; Mahaffy, Paul R.

    2016-08-01

    Recent observations of the Martian surface by the Phoenix lander and the Sample Analysis at Mars indicate the presence of perchlorate (ClO4-). The abundance and isotopic composition of these perchlorates suggest that the mechanisms responsible for their formation in the Martian environment may be unique in our solar system. With this in mind, we propose a potential mechanism for the production of Martian perchlorate: the radiolysis of the Martian surface by galactic cosmic rays, followed by the sublimation of chlorine oxides into the atmosphere and their subsequent synthesis to form perchloric acid (HClO4) in the atmosphere, and the surface deposition and subsequent mineralization of HClO4 in the regolith to form surface perchlorates. To evaluate the viability of this mechanism, we employ a one-dimensional chemical model, examining chlorine chemistry in the context of Martian atmospheric chemistry. Considering the chlorine oxide, OClO, we find that an OClO flux as low as 3.2 × 107 molecules cm-2 s-1 sublimated into the atmosphere from the surface could produce sufficient HClO4 to explain the perchlorate concentration on Mars, assuming an accumulation depth of 30 cm and integrated over the Amazonian period. Radiolysis provides an efficient pathway for the oxidation of chlorine, bypassing the efficient Cl/HCl recycling mechanism that characterizes HClO4 formation mechanisms proposed for the Earth but not Mars.

  10. Nanostructured lipid carrier surface modified with Eudragit RS 100 and its potential ophthalmic functions

    Science.gov (United States)

    Zhang, Wenji; Li, Xuedong; Ye, Tiantian; Chen, Fen; Yu, Shihui; Chen, Jianting; Yang, Xinggang; Yang, Na; Zhang, Jinsong; Liu, Jinlu; Pan, Weisan; Kong, Jun

    2014-01-01

    This study was carried out to evaluate the ocular performance of a cationic Eudragit (EDU) RS 100-coated nanostructured lipid carrier (NLC). The genistein encapsulated NLC (GEN-NLC) was produced using the melt-emulsification technique followed by surface absorption of EDU RS 100. The EDU RS 100 increased the surface zeta potential from −7.46 mV to +13.60 mV, by uniformly forming a spherical coating outside the NLC surface, as shown by transmission electron microscopy images. The EDU RS 100 on the NLC surface effectively improved the NLC stability by inhibiting particle size growth. The obtained EDU RS 100-GEN-NLC showed extended precorneal clearance and a 1.22-fold increase in AUC (area under the curve) compared with the bare NLC in a Gamma scintigraphic evaluation. The EDU RS 100 modification also significantly increased corneal penetration producing a 3.3-fold increase in apparent permeability coefficients (Papp) compared with references. Draize and cytotoxicity testing confirmed that the developed EDU RS 100-GEN-NLC was nonirritant to ocular tissues and nontoxic to corneal cells. These results indicate that the NLC surface modified by EDU RS 100 significantly improves the NLC properties and exhibits many advantages for ocular use. PMID:25246787

  11. Potential of water surface-floating microalgae for biodiesel production: Floating-biomass and lipid productivities.

    Science.gov (United States)

    Muto, Masaki; Nojima, Daisuke; Yue, Liang; Kanehara, Hideyuki; Naruse, Hideaki; Ujiro, Asuka; Yoshino, Tomoko; Matsunaga, Tadashi; Tanaka, Tsuyoshi

    2017-03-01

    Microalgae have been accepted as a promising feedstock for biodiesel production owing to their capability of converting solar energy into lipids through photosynthesis. However, the high capital and operating costs, and high energy consumption, are hampering commercialization of microalgal biodiesel. In this study, the surface-floating microalga, strain AVFF007 (tentatively identified as Botryosphaerella sudetica), which naturally forms a biofilm on surfaces, was characterized for use in biodiesel production. The biofilm could be conveniently harvested from the surface of the water by adsorbing onto a polyethylene film. The lipid productivity of strain AVFF007 was 46.3 mg/L/day, allowing direct comparison to lipid productivities of other microalgal species. The moisture content of the surface-floating biomass was 86.0 ± 1.2%, which was much lower than that of the biomass harvested using centrifugation. These results reveal the potential of this surface-floating microalgal species as a biodiesel producer, employing a novel biomass harvesting and dewatering strategy. Copyright © 2016 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

  12. Estimation of Nanodiamond Surface Charge Density from Zeta Potential and Molecular Dynamics Simulations.

    Science.gov (United States)

    Ge, Zhenpeng; Wang, Yi

    2017-04-20

    Molecular dynamics simulations of nanoparticles (NPs) are increasingly used to study their interactions with various biological macromolecules. Such simulations generally require detailed knowledge of the surface composition of the NP under investigation. Even for some well-characterized nanoparticles, however, this knowledge is not always available. An example is nanodiamond, a nanoscale diamond particle with surface dominated by oxygen-containing functional groups. In this work, we explore using the harmonic restraint method developed by Venable et al., to estimate the surface charge density (σ) of nanodiamonds. Based on the Gouy-Chapman theory, we convert the experimentally determined zeta potential of a nanodiamond to an effective charge density (σ eff ), and then use the latter to estimate σ via molecular dynamics simulations. Through scanning a series of nanodiamond models, we show that the above method provides a straightforward protocol to determine the surface charge density of relatively large (> ∼100 nm) NPs. Overall, our results suggest that despite certain limitation, the above protocol can be readily employed to guide the model construction for MD simulations, which is particularly useful when only limited experimental information on the NP surface composition is available to a modeler.

  13. Potential energy surface and rovibrational energy levels of the H2-CS van der Waals complex.

    Science.gov (United States)

    Denis-Alpizar, Otoniel; Stoecklin, Thierry; Halvick, Philippe; Dubernet, Marie-Lise; Marinakis, Sarantos

    2012-12-21

    Owing to its large dipole, astrophysicists use carbon monosulfide (CS) as a tracer of molecular gas in the interstellar medium, often in regions where H(2) is the most abundant collider. Predictions of the rovibrational energy levels of the weakly bound complex CS-H(2) (not yet observed) and also of rate coefficients for rotational transitions of CS in collision with H(2) should help to interpret the observed spectra. This paper deals with the first goal, i.e., the calculation of the rovibrational energy levels. A new four-dimensional intermolecular potential energy surface for the H(2)-CS complex is presented. Ab initio potential energy calculations were carried out at the coupled-cluster level with single and double excitations and a perturbative treatment of triple excitations, using a quadruple-zeta basis set and midbond functions. The potential energy surface was obtained by an analytic fit of the ab initio data. The equilibrium structure of the H(2)-CS complex is found to be linear with the carbon pointing toward H(2) at the intermolecular separation of 8.6 a(o). The corresponding well depth is -173 cm(-1). The potential was used to calculate the rovibrational energy levels of the para-H(2)-CS and ortho-H(2)-CS complexes. The present work provides the first theoretical predictions of these levels. The calculated dissociation energies are found to be 35.9 cm(-1) and 49.9 cm(-1), respectively, for the para and ortho complexes. The second virial coefficient for the H(2)-CS pair has also been calculated for a large range of temperature. These results could be used to assign future experimental spectra and to check the accuracy of the potential energy surface.

  14. Beyond Massive MIMO: The Potential of Data Transmission With Large Intelligent Surfaces

    Science.gov (United States)

    Hu, Sha; Rusek, Fredrik; Edfors, Ove

    2018-05-01

    In this paper, we consider the potential of data-transmission in a system with a massive number of radiating and sensing elements, thought of as a contiguous surface of electromagnetically active material. We refer to this as a large intelligent surface (LIS). The "LIS" is a newly proposed concept, which conceptually goes beyond contemporary massive MIMO technology, that arises from our vision of a future where man-made structures are electronically active with integrated electronics and wireless communication making the entire environment "intelligent". We consider capacities of single-antenna autonomous terminals communicating to the LIS where the entire surface is used as a receiving antenna array. Under the condition that the surface-area is sufficiently large, the received signal after a matched-filtering (MF) operation can be closely approximated by a sinc-function-like intersymbol interference (ISI) channel. We analyze the capacity per square meter (m^2) deployed surface, \\hat{C}, that is achievable for a fixed transmit power per volume-unit, \\hat{P}. Moreover, we also show that the number of independent signal dimensions per m deployed surface is 2/\\lambda for one-dimensional terminal-deployment, and \\pi/\\lambda^2 per m^2 for two and three dimensional terminal-deployments. Lastly, we consider implementations of the LIS in the form of a grid of conventional antenna elements and show that, the sampling lattice that minimizes the surface-area of the LIS and simultaneously obtains one signal space dimension for every spent antenna is the hexagonal lattice. We extensively discuss the design of the state-of-the-art low-complexity channel shortening (CS) demodulator for data-transmission with the LIS.

  15. Ab initio potential energy surface and vibration-rotation energy levels of silicon dicarbide, SiC2.

    Science.gov (United States)

    Koput, Jacek

    2016-10-05

    The accurate ground-state potential energy surface of silicon dicarbide, SiC2 , has been determined from ab initio calculations using the coupled-cluster approach. Results obtained with the conventional and explicitly correlated coupled-cluster methods were compared. The core-electron correlation, higher-order valence-electron correlation, and scalar relativistic effects were taken into account. The potential energy barrier to the linear SiCC configuration was predicted to be 1782 cm(-1) . The vibration-rotation energy levels of the SiC2 , (29) SiC2 , (30) SiC2 , and SiC(13) C isotopologues were calculated using a variational method. The experimental vibration-rotation energy levels of the main isotopologue were reproduced to high accuracy. In particular, the experimental energy levels of the highly anharmonic vibrational ν3 mode of SiC2 were reproduced to within 6.7 cm(-1) , up to as high as the v3  = 16 state. © 2016 Wiley Periodicals, Inc.

  16. Proper construction of ab initio global potential surfaces with accurate long-range interactions

    International Nuclear Information System (INIS)

    Ho, Tak-San; Rabitz, Herschel

    2000-01-01

    An efficient procedure based on the reproducing kernel Hilbert space interpolation method is presented for constructing intermolecular potential energy surfaces (PES) using not only calculated ab initio data but also a priori information on long-range interactions. Explicitly, use of the reciprocal power reproducing kernel on the semiinfinite interval [0,∞) yields a set of exact linear relations between dispersion (multipolar) coefficients and PES data points at finite internuclear separations. Consequently, given a combined set of ab initio data and the values of dispersion (multipolar) coefficients, the potential interpolation problem subject to long-range interaction constraints can be solved to render globally smooth, asymptotically accurate ab initio potential energy surfaces. Very good results have been obtained for the one-dimensional He-He potential curve and the two-dimensional Ne-CO PES. The construction of the Ne-CO PES was facilitated by invoking a new reproducing kernel for the angular coordinate based on the optimally stable and shape-preserving Bernstein basis functions. (c) 2000 American Institute of Physics

  17. Mg/Ca and Mn/Ca ratios in benthic foraminifera: the potential to reconstruct past variations in temperature and hypoxia in shelf regions

    Directory of Open Access Journals (Sweden)

    J. Groeneveld

    2013-07-01

    Full Text Available Shelf and coastal regions are exceptionally important for many countries as they provide the main habitat for many economically important fish and shellfish species. With ongoing climate change and human-induced eutrophication the shelf regions are especially affected, resulting in increased temperatures and stratification as well as oxygen depletion of the bottom waters. In order to be able to predict the magnitude of these changes in the future, it is necessary to study how they varied in the past. Commonly used foraminiferal climate and environmental proxies, e.g., stable isotopes and trace metal/Ca ratios, that are applied in open-ocean settings are not necessarily applicable in shelf regions, either as faunas are significantly different or as conditions can change much faster compared to the open ocean. In this study we explore the use of Mg/Ca as paleothermometer and Mn/Ca as a potential proxy for changing dissolved oxygen conditions in bottom water on the benthic foraminifera Bulimina marginata and Globobulimina turgida. Living specimens were collected from the Skagerrak and the Gullmar Fjord (SW Sweden; the latter is hypoxic for several months a year. As the specimens were alive when collected, we assume it unlikely that any diagenetic coatings have already significantly affected the trace metal/Ca ratios. The Mg/Ca ratios are similar to previously published values but display much larger variation than would be expected from the annual temperature change of less than 2 °C. An additional impact of the difference in the calcite saturation state between the Skagerrak and the Gullmar Fjord could explain the results. Mn/Ca ratios from G. turgida can potentially be related to variations in dissolved oxygen of the habitat where the foraminifera calcify. Samples from the Skagerrak display increased Mn/Ca in specimens that lived deeper in the sediment than those that lived near the surface. G. turgida samples from the low-oxygen Gullmar Fjord

  18. Spatiotemporal variations of potential evapotranspiration and aridity index in relation to influencing factors over Southwest China during 1960-2013

    Science.gov (United States)

    Zhao, Yifei; Zou, Xinqing; Cao, Liguo; Yao, Yulong; Fu, Guanghe

    2017-07-01

    This study investigated the spatial-temporal patterns and trends of potential evapotranspiration (ET0) and aridity index (AI) over Southwest China during 1960-2013 based on daily temperature, precipitation, wind speed, sunshine duration, total solar radiation, and relative humidity data from 108 meteorological stations. The Penman-Monteith model, Mann-Kendall (M-K) test, moving t test, and Morlet wavelet method were used. The results indicated that ET0 and AI across the region displayed decreasing trends, but the former was significant. After 2000, regionally average trends in ET0 and AI increased rapidly, indicating that droughts increased over Southwest China in recent years. Spatially, the changes of ET0 and AI were dissimilar and not clustered, either. Temporally, both ET0 and AI displayed obvious abrupt change points over different timescales and that of AI was during the winter monsoon period. Significant periodic variations with periods of 27, 13, and 5 years were found in ET0, but only of 13 and 5 years existed in AI. Correlation analysis revealed that the sunshine duration and wind speed were the dominant factors affecting ET0 and that AI showed strong negative correlation with precipitation. The findings of this study enhance the understanding of the relationship between climate change and drought in Southwest China, while the mechanism controlling the variation in drought requires further study.

  19. Nano surface engineering of Mn 2 O 3 for potential light-harvesting application

    KAUST Repository

    Kar, Prasenjit

    2015-01-01

    Manganese oxides are well known applied materials including their use as efficient catalysts for various environmental applications. Multiple oxidation states and their change due to various experimental conditions are concluded to be responsible for their multifaceted functionality. Here we demonstrate that the interaction of a small organic ligand with one of the oxide varieties induces completely new optical properties and functionalities (photocatalysis). We have synthesized Mn2O3 microspheres via a hydrothermal route and characterized them using scanning electron microscopy (SEM), X-ray diffraction (XRD) and elemental mapping (EDAX). When the microspheres are allowed to interact with the biologically important small ligand citrate, nanometer-sized surface functionalized Mn2O3 (NPs) are formed. Raman and Fourier transformed infrared spectroscopy confirm the covalent attachment of the citrate ligand to the dangling bond of Mn at the material surface. While cyclic voltammetry (CV) and X-ray photoelectron spectroscopy (XPS) analysis confirm multiple surface charge states after the citrate functionalization of the Mn2O3 NPs, new optical properties of the surface engineered nanomaterials in terms of absorption and emission emerge consequently. The engineered material offers a novel photocatalytic functionality to the model water contaminant methylene blue (MB). The effect of doping other metal ions including Fe3+ and Cu2+ on the optical and catalytic properties is also investigated. In order to prepare a prototype for potential environmental application of water decontamination, we have synthesized and duly functionalized the material on the extended surface of a stainless steel metal mesh (size 2 cm × 1.5 cm, pore size 150 μm × 200 μm). We demonstrate that the functionalized mesh always works as a "physical" filter of suspended particulates. However, it works as a "chemical" filter (photocatalyst) for the potential water soluble contaminant (MB) in the presence

  20. Determination of electrostatic potential distribution by atomic force microscopy (AFM) on model silica and alumina surfaces in aqueous electrolyte solutions

    International Nuclear Information System (INIS)

    Yelken, Gulnihal Ozek; Polat, Mehmet

    2014-01-01

    Graphical abstract: - Highlights: • Atomic force microscopy was employed to quantitatively determine the surface potential on silica and alumina surfaces immersed in aqueous electrolyte solutions at various pH values using the DLVO theory. • Potential distributions could be presented in the form of a potential map by repeating the procedure on multiple locations on these surfaces. • The average potential of the distributions agreed very well with the surface potentials measured by electrophoretic techniques. • Several experimental procedures required to achieve the very sensitive force measurements were outlined and demonstrated. - Abstract: AFM was employed as a physicochemical probe to determine the electrostatic potential distribution quantitatively on selected ideal oxide surfaces (quartz 0 0 0 1 and sapphire 0 0 0 1) in aqueous media. The force of interaction between a silicon nitride tip and the oxide surface was measured at a given point under well-defined solution conditions. Relevant theories were used to isolate the electrostatic component from the total force of interaction which was then employed to estimate the surface potential at that point. Repeating the procedure on selected locations generated a potential map of the surface. Comparison of these potentials with those obtained from independent electrokinetic measurements confirmed the validity of the approach

  1. Potential effects of groundwater and surface water contamination in an urban area, Qus City, Upper Egypt

    Science.gov (United States)

    Abdalla, Fathy; Khalil, Ramadan

    2018-05-01

    The potential effects of anthropogenic activities, in particular, unsafe sewage disposal practices, on shallow groundwater in an unconfined aquifer and on surface water were evaluated within an urban area by the use of hydrogeological, hydrochemical, and bacteriological analyses. Physicochemical and bacteriological data was obtained from forty-five sampling points based on33 groundwater samples from variable depths and 12 surface water samples. The pollution sources are related to raw sewage and wastewater discharges, agricultural runoff, and wastewater from the nearby Paper Factory. Out of the 33 groundwater samples studied, 17 had significant concentrations of NO3-, Cl- and SO42-, and high bacteria counts. Most of the water samples from the wells contained high Fe, Mn, Pb, Zn, Cd, and Cr. The majority of surface water samples presented high NO3- concentrations and high bacteria counts. A scatter plot of HCO3- versus Ca indicates that 58% of the surface water samples fall within the extreme contamination zone, while the others are within the mixing zone; whereas 94% of groundwater samples showed evidence of mixing between groundwater and wastewater. The bacteriological assessment showed that all measured surface and groundwater samples contained Escherichia coli and total coliform bacteria. A risk map delineated four classes of contamination, namely, those sampling points with high (39.3%), moderate (36.3%), low (13.3%), and very low (11.1%) levels of contamination. Most of the highest pollution points were in the middle part of the urban area, which suffers from unmanaged sewage and industrial effluents. Overall, the results demonstrate that surface and groundwater in Qus City are at high risk of contamination by wastewater since the water table is shallow and there is a lack of a formal sanitation network infrastructure. The product risk map is a useful tool for prioritizing zones that require immediate mitigation and monitoring.

  2. Potential energy surface of triplet N{sub 2}O{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Varga, Zoltan; Meana-Pañeda, Rubén; Song, Guoliang; Paukku, Yuliya; Truhlar, Donald G., E-mail: truhlar@umn.edu [Department of Chemistry, Chemical Theory Center, and Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455-0431 (United States)

    2016-01-14

    We present a global ground-state triplet potential energy surface for the N{sub 2}O{sub 2} system that is suitable for treating high-energy vibrational-rotational energy transfer and collision-induced dissociation. The surface is based on multi-state complete-active-space second-order perturbation theory/minimally augmented correlation-consistent polarized valence triple-zeta electronic structure calculations plus dynamically scaled external correlation. In the multireference calculations, the active space has 14 electrons in 12 orbitals. The calculations cover nine arrangements corresponding to dissociative diatom-diatom collisions of N{sub 2}, O{sub 2}, and nitric oxide (NO), the interaction of a triatomic molecule (N{sub 2}O and NO{sub 2}) with the fourth atom, and the interaction of a diatomic molecule with a single atom (i.e., the triatomic subsystems). The global ground-state potential energy surface was obtained by fitting the many-body interaction to 54 889 electronic structure data points with a fitting function that is a permutationally invariant polynomial in terms of bond-order functions of the six interatomic distances.

  3. Spatial Variation, Pollution Assessment and Source Identification of Major Nutrients in Surface Sediments of Nansi Lake, China

    Directory of Open Access Journals (Sweden)

    Longfeng Wang

    2017-06-01

    Full Text Available Nansi Lake has been seriously affected by intensive anthropogenic activities in recent years. In this study, an extensive survey on spatial variation, pollution assessment as well as the possible sources identification of major nutrients (Total phosphorus: TP, Total nitrogen: TN, and Total organic carbon: TOC in the surface sediments of Nansi Lake was conducted. Results showed that the mean contents of TP, TN and TOC were 1.13-, 5.40- and 2.50- fold higher than their background values respectively. Most of the TN and TOC contents in the surface sediments of Nansi Lake were four times as high or higher and twice as high or higher than the background values except the Zhaoyang sub-lake, and the spatial distribution of TN and TOC contents were remarkably similar over a large area. Nearly all the TP contents in the surface sediments of Nansi Lake were all higher than its background values except most part of the Zhaoyang sub-lake. Based on the enrichment factor (EF and the organic pollution evaluation index (Org-index, TP, TOC and TN showed minor enrichment (1.13, minor enrichment (2.50 and moderately severe enrichment (5.40, respectively, and most part of the Dushan sub-lake and the vicinity of the Weishan island were in moderate or heavy sediments organic pollution, while the other parts were clean. Moreover, according to the results of multivariate statistical analysis, we deduced that anthropogenic TN and TOC were mainly came from industrial sources including enterprises distributed in Jining, Yanzhou and Zoucheng along with iron and steel industries distributed in the southern of the Weishan sub-lake, whereas TP mainly originated from runoff and soil erosion coming from agricultural lands located in Heze city and Weishan island, the local aquacultural activities as well as the domestic sewage discharge of Jining city.

  4. High cloud variations with surface temperature from 2002 to 2015: Contributions to atmospheric radiative cooling rate and precipitation changes

    Science.gov (United States)

    Liu, Run; Liou, Kuo-Nan; Su, Hui; Gu, Yu; Zhao, Bin; Jiang, Jonathan H.; Liu, Shaw Chen

    2017-05-01

    The global mean precipitation is largely constrained by atmospheric radiative cooling rates (Qr), which are sensitive to changes in high cloud fraction. We investigate variations of high cloud fraction with surface temperature (Ts) from July 2002 to June 2015 and compute their radiative effects on Qr using the Fu-Liou-Gu plane-parallel radiation model. We find that the tropical mean (30°S-30°N) high cloud fraction decreases with increasing Ts at a rate of about -1.0 ± 0.34% K-1 from 2002 to 2015, which leads to an enhanced atmospheric cooling around 0.86 W m-2 K-1. On the other hand, the northern midlatitudes (30°N-60°N) high cloud fraction increases with surface warming at a rate of 1.85 ± 0.65% K-1 and the near-global mean (60°S-60°N) high cloud fraction shows a statistically insignificant decreasing trend with increasing Ts over the analysis period. Dividing high clouds into cirrus, cirrostratus, and deep convective clouds, we find that cirrus cloud fraction increases with surface warming at a rate of 0.32 ± 0.11% K-1 (0.01 ± 0.17% K-1) for the near-global mean (tropical mean), while cirrostratus and deep convective clouds decrease with surface warming at a rate of -0.02 ± 0.18% K-1 and -0.33 ± 0.18% K-1 for the near-global mean and -0.64 ± 0.23% K-1 and -0.37 ± 0.13% K-1 for the tropical mean, respectively. High cloud fraction response to feedback to Ts accounts for approximately 1.9 ± 0.7% and 16.0 ± 6.1% of the increase in precipitation per unit surface warming over the period of 2002-2015 for the near-global mean and the tropical mean, respectively.

  5. Effects of geometric modulation and surface potential heterogeneity on electrokinetic flow and solute transport in a microchannel

    Science.gov (United States)

    Bera, Subrata; Bhattacharyya, S.

    2018-04-01

    A numerical investigation is performed on the electroosmotic flow (EOF) in a surface-modulated microchannel to induce enhanced solute mixing. The channel wall is modulated by placing surface-mounted obstacles of trigonometric shape along which the surface potential is considered to be different from the surface potential of the homogeneous part of the wall. The characteristics of the electrokinetic flow are governed by the Laplace equation for the distribution of external electric potential; the Poisson equation for the distribution of induced electric potential; the Nernst-Planck equations for the distribution of ions; and the Navier-Stokes equations for fluid flow simultaneously. These nonlinear coupled set of governing equations are solved numerically by a control volume method over the staggered system. The influence of the geometric modulation of the surface, surface potential heterogeneity and the bulk ionic concentration on the EOF is analyzed. Vortical flow develops near a surface modulation, and it becomes stronger when the surface potential of the modulated region is in opposite sign to the surface potential of the homogeneous part of the channel walls. Vortical flow also depends on the Debye length when the Debye length is in the order of the channel height. Pressure drop along the channel length is higher for a ribbed wall channel compared to the grooved wall case. The pressure drop decreases with the increase in the amplitude for a grooved channel, but increases for a ribbed channel. The mixing index is quantified through the standard deviation of the solute distribution. Our results show that mixing index is higher for the ribbed channel compared to the grooved channel with heterogeneous surface potential. The increase in potential heterogeneity in the modulated region also increases the mixing index in both grooved and ribbed channels. However, the mixing performance, which is the ratio of the mixing index to pressure drop, reduces with the rise in

  6. Ab initio treatment of the chemical reaction precursor complex Br(2P)-HCN. 1. Adiabatic and diabatic potential surfaces

    NARCIS (Netherlands)

    Fishchuk, A.V.; Merritt, J.M.; Avoird, A. van der

    2007-01-01

    The three adiabatic potential surfaces of the Br(P-2)-HCN complex that correlate to the P-2 ground state of the Br atom were calculated ab initio. With the aid of a geometry-dependent diabatic mixing angle, also calculated ab initio, these adiabatic potential surfaces were transformed into a set of

  7. High Accuracy Potential Energy Surface, Dipole Moment Surface, Rovibrational Energies and Line List Calculations for ^{14}NH_3

    Science.gov (United States)

    Coles, Phillip; Yurchenko, Sergei N.; Polyansky, Oleg; Kyuberis, Aleksandra; Ovsyannikov, Roman I.; Zobov, Nikolay Fedorovich; Tennyson, Jonathan

    2017-06-01

    We present a new spectroscopic potential energy surface (PES) for ^{14}NH_3, produced by refining a high accuracy ab initio PES to experimental energy levels taken predominantly from MARVEL. The PES reproduces 1722 matched J=0-8 experimental energies with a root-mean-square error of 0.035 cm-1 under 6000 cm^{-1} and 0.059 under 7200 cm^{-1}. In conjunction with a new DMS calculated using multi reference configuration interaction (MRCI) and H=aug-cc-pVQZ, N=aug-cc-pWCVQZ basis sets, an infrared (IR) line list has been computed which is suitable for use up to 2000 K. The line list is used to assign experimental lines in the 7500 - 10,500 cm^{-1} region and previously unassigned lines in HITRAN in the 6000-7000 cm^{-1} region. Oleg L. Polyansky, Roman I. Ovsyannikov, Aleksandra A. Kyuberis, Lorenzo Lodi, Jonathan Tennyson, Andrey Yachmenev, Sergei N. Yurchenko, Nikolai F. Zobov, J. Mol. Spec., 327 (2016) 21-30 Afaf R. Al Derzia, Tibor Furtenbacher, Jonathan Tennyson, Sergei N. Yurchenko, Attila G. Császár, J. Quant. Spectrosc. Rad. Trans., 161 (2015) 117-130

  8. A three-layer model of self-assembly induced surface-energy variation experimentally extracted by using nanomechanically sensitive cantilevers

    International Nuclear Information System (INIS)

    Zuo Guomin; Li Xinxin

    2011-01-01

    This research is aimed at elucidating surface-energy (or interfacial energy) variation during the process of molecule-layer self-assembly on a solid surface. A quasi-quantitative plotting model is proposed and established to distinguish the surface-energy variation contributed by the three characteristic layers of a thiol-on-gold self-assembled monolayer (SAM), namely the assembly-medium correlative gold/head-group layer, the chain/chain interaction layer and the tail/medium layer, respectively. The data for building the model are experimentally extracted from a set of correlative thiol self-assemblies in different media. The variation in surface-energy during self-assembly is obtained by in situ recording of the self-assembly induced nanomechanical surface-stress using integrated micro-cantilever sensors. Based on the correlative self-assembly experiment, and by using the nanomechanically sensitive self-sensing cantilevers to monitor the self-assembly induced surface-stressin situ, the experimentally extracted separate contributions of the three layers to the overall surface-energy change aid a comprehensive understanding of the self-assembly mechanism. Moreover, the quasi-quantitative modeling method is helpful for optimal design, molecule synthesis and performance evaluation of molecule self-assembly for application-specific surface functionalization.

  9. Potential sputtering of target ions by Ar q+, Pb q+ projectiles from a silicon surface

    International Nuclear Information System (INIS)

    Wang, T.S.; Zhao, Y.T.; Peng, H.B.; Wang, S.W.; Fang, Y.; Ding, D.J.; Xiao, G.Q.

    2007-01-01

    Highly charged ions have been expected to be a powerful tool for the surface modification in nano-scale. The potential sputtering of highly charged ions on semi-conductors has the potential to be applied in the micro electronics and nano-technology. In this work, the Ar q+ and Pb q+ ions produced by an electron cyclotron resonance ion source have been used as projectiles to study their potential sputtering on silicon surface. The relative sputtering ion yield is measured with a micro-channel plate, correlated to the incidence angle, charge state and velocity of ions. The experimental results show evidently charge dependence and velocity dependence. The yield induced by the ions changes steeply with the incidence angle, which is much larger than the impact of single charged ion with the same velocity. In the case of Pb 36+ impact, a significant enhancement of the yield has been observed, while the q > 20. At the same time, the yield increases proportionally with the ion velocity. However, in the case of Ar 16+ , the yield decreases versus the increase of the velocity

  10. Measurement of the electric potential at the surface of nonuniformly charged polypropylene nonwoven media

    Science.gov (United States)

    Fatihou, Ali; Zouzou, Noureddine; Iuga, Gheorghe; Dascalescu, Lucian

    2015-10-01

    The aim of this paper is to establish the conditions in which the vibrating capacitive probe of an electrostatic voltmeter could be employed for mapping the electric potential at the surface of non-uniformly charged insulating bodies. A first set of experiments are performed on polypropylene non-woven media (thickness: 0.4 mm; fiber diameter: 20 μm) in ambient air. In a second set of experiments the non-uniformity of charge is simulated using five copper strips (width: 2 mm or 3 mm; distance between strips: 2 mm). All the strips are connected to a high-voltage supply (Vs = 1000 V). The sample carrier is attached to a computer-controlled positioning system that transfers it under the capacitive probe (TREK, model 3451) of an electrostatic voltmeter (TREK, model 1341B). The measurements are performed at various relative speeds Vb between the sample and the probe, and for various sample rates Fe. A first set of experiments point out that the electric potential displayed by the electrostatic voltmeter depends on the spacing h between the sample and the probe. The diameter D of the spot “seen” by the probe is approximately D ≈ 8h/3. From the second set of experiments performed with the test plate, it can be concluded that the surface potential can be measured with the media in motion, but the accuracy is limited by the spatial resolution defined by k = Vb/Fe.

  11. Multiparametric Kelvin Probe Force Microscopy for the Simultaneous Mapping of Surface Potential and Nanomechanical Properties.

    Science.gov (United States)

    Xie, Hui; Zhang, Hao; Hussain, Danish; Meng, Xianghe; Song, Jianmin; Sun, Lining

    2017-03-21

    We report high-resolution multiparametric kelvin probe force microscopy (MP-KPFM) measurements for the simultaneous quantitative mapping of the contact potential difference (CPD) and nanomechanical properties of the sample in single-pass mode. This method combines functionalities of the force-distance-based atomic force microscopy and amplitude-modulation (AM) KPFM to perform measurements in single-pass mode. During the tip-sample approach-and-retract cycle, nanomechanical measurements are performed for the retract part of nanoindentation, and the CPD is measured by the lifted probe with a constant tip-sample distance. We compare the performance of the proposed method with the conventional KPFMs by mapping the CPD of multilayer graphene deposited on n-doped silicon, and the results demonstrate that MP-KPFM has comparable performance to AM-KPFM. In addition, the experimental results of a custom-fabricated polymer grating with heterogeneous surfaces validate the multiparametric imaging capability of the MP-KPFM. This method can have potential applications in finding the inherent link between nanomechanical properties and the surface potential of the materials, such as the quantification of the electromechanical response of the deformed piezoelectric materials.

  12. Modeling Images of Natural 3D Surfaces: Overview and Potential Applications

    Science.gov (United States)

    Jalobeanu, Andre; Kuehnel, Frank; Stutz, John

    2004-01-01

    Generative models of natural images have long been used in computer vision. However, since they only describe the of 2D scenes, they fail to capture all the properties of the underlying 3D world. Even though such models are sufficient for many vision tasks a 3D scene model is when it comes to inferring a 3D object or its characteristics. In this paper, we present such a generative model, incorporating both a multiscale surface prior model for surface geometry and reflectance, and an image formation process model based on realistic rendering, the computation of the posterior model parameter densities, and on the critical aspects of the rendering. We also how to efficiently invert the model within a Bayesian framework. We present a few potential applications, such as asteroid modeling and Planetary topography recovery, illustrated by promising results on real images.

  13. CASSCF/CI calculations of electronic states and potential energy surfaces of PtH2

    International Nuclear Information System (INIS)

    Balasubramanian, K.

    1987-01-01

    Complete active space MCSCF followed by MRSDCI (multireference singles and doubles configuration interaction) calculations are carried out on the electronic states of PtH 2 . Spin--orbit interaction is introduced using a relativistic configuration interaction scheme on PtH + whose d orbital Mulliken population is close to that of the d population of PtH 2 and thus enables calculation of spin--orbit splittings for the electronic states of PtH 2 . The bending potential energy surfaces of the 1 A 1 and 3 A 1 states are obtained. The 1 A 1 surface has a bent minimum and dissociates almost without a barrier into Pt( 1 S 0 ) and H 2 , while the 3 A 1 state has a large (--55 kcal/mol) barrier to dissociation into Pt( 3 D 3 )+H 2 . The ground state of PtH 2 is a bent 1 A 1 state (θ = 85 0 )

  14. Rotational Energy Transfer of N2 Determined Using a New Ab Initio Potential Energy Surface

    Science.gov (United States)

    Huo, Winifred M.; Stallcop, James R.; Partridge, Harry; Langhoff, Stephen R. (Technical Monitor)

    1997-01-01

    A new N2-N2 rigid-rotor surface has been determined using extensive Ab Initio quantum chemistry calculations together with recent experimental data for the second virial coefficient. Rotational energy transfer is studied using the new potential energy surface (PES) employing the close coupling method below 200 cm(exp -1) and coupled state approximation above that. Comparing with a previous calculation based on the PES of van der Avoird et al.,3 it is found that the new PES generally gives larger cross sections for large (delta)J transitions, but for small (delta)J transitions the cross sections are either comparable or smaller. Correlation between the differences in the cross sections and the two PES will be attempted. The computed cross sections will also be compared with available experimental data.

  15. Wash-off potential of urban use insecticides on concrete surfaces.

    Science.gov (United States)

    Jiang, Weiying; Lin, Kunde; Haver, Darren; Qin, Sujie; Ayre, Gilboa; Spurlock, Frank; Gan, Jay

    2010-06-01

    Contamination of surface aquatic systems by insecticides is an emerging concern in urban watersheds, but sources of contamination are poorly understood, hindering development of regulatory or mitigation strategies. Hardscapes such as concrete surfaces are considered an important facilitator for pesticide runoff following applications around homes. However, pesticide behavior on concrete has seldom been studied, and standardized evaluation methods are nonexistent. In the present study, a simple batch method for measuring pesticide wash-off potential from concrete surfaces was developed, and the dependence of washable pesticide residues was evaluated on pesticide types, formulations, time exposed to outdoor conditions, and number of washing cycles. After application to concrete, the washable fraction of four pyrethroids (bifenthrin, permethrin, cyfluthrin, and cyhalothrin) and fipronil rapidly decreased, with half-lives residues were still found in the wash-off solution for most treatments after 112 d. The slow decrease may be attributed to a fraction of pesticides being isolated from degradation or volatilization after retention below the concrete surface. Wash-off potential was consistently higher for solid formulations than for liquid formulations, implying an increased runoff contamination risk for granular and powder formulations. Trace levels of pyrethroids were detected in the wash-off solution even after 14 washing-drying cycles over 42 d under outdoor conditions. Results from the present study suggest that pesticide residues remain on concrete and are available for contaminating runoff for a prolonged time. Mechanisms for the long persistence were not clearly known from the present study and merit further investigation. Copyright 2010 SETAC.

  16. Surface Electrical Potentials of Root Cell Plasma Membranes: Implications for Ion Interactions, Rhizotoxicity, and Uptake

    Directory of Open Access Journals (Sweden)

    Yi-Min Wang

    2014-12-01

    Full Text Available Many crop plants are exposed to heavy metals and other metals that may intoxicate the crop plants themselves or consumers of the plants. The rhizotoxicity of heavy metals is influenced strongly by the root cell plasma membrane (PM surface’s electrical potential (ψ0. The usually negative ψ0 is created by negatively charged constituents of the PM. Cations in the rooting medium are attracted to the PM surface and anions are repelled. Addition of ameliorating cations (e.g., Ca2+ and Mg2+ to the rooting medium reduces the effectiveness of cationic toxicants (e.g., Cu2+ and Pb2+ and increases the effectiveness of anionic toxicants (e.g., SeO42− and H2AsO4−. Root growth responses to ions are better correlated with ion activities at PM surfaces ({IZ}0 than with activities in the bulk-phase medium ({IZ}b (IZ denotes an ion with charge Z. Therefore, electrostatic effects play a role in heavy metal toxicity that may exceed the role of site-specific competition between toxicants and ameliorants. Furthermore, ψ0 controls the transport of ions across the PM by influencing both {IZ}0 and the electrical potential difference across the PM from the outer surface to the inner surface (Em,surf. Em,surf is a component of the driving force for ion fluxes across the PM and controls ion-channel voltage gating. Incorporation of {IZ}0 and Em,surf into quantitative models for root metal toxicity and uptake improves risk assessments of toxic metals in the environment. These risk assessments will improve further with future research on the application of electrostatic theory to heavy metal phytotoxicity in natural soils and aquatic environments.

  17. Theoretical characterization of the potential energy surface for H + O2 yields HO2(asterisk) yields HO + O. II - The potential for H atom exchange in HO2

    Science.gov (United States)

    Walch, Stephen P.; Rohlfing, Celeste Mcmichael

    1989-01-01

    The results of CASSCF multireference contracted CI calculations with large ANO basis sets are presented for the exchange region of the HO2 potential-energy surface. The saddle point for H atom exchange is about 13 kcal/mol below the energy of H + O2; therefore, this region of the surface should be accessible during H + O2 recombination and methathesis reactions.

  18. Health risk implications of potentially toxic metals in street dust and surface soil of Tehran, Iran.

    Science.gov (United States)

    Dehghani, Sharareh; Moore, Farid; Keshavarzi, Behnam; Hale, Beverley A

    2017-02-01

    In this study a total of 30 street dusts and 10 surface soils were collected in the central district of Tehran and analyzed for major potentially toxic metals. Street dust was found to be greatly enriched in Sb, Pb, Cu and Zn and moderately enriched in Cr, Mn, Mo and Ni. Contamination of Cu, Sb, Pb and Zn was clearly related to anthropogenic sources such as brake wear, tire dust, road abrasion and fossil fuel combustion. Spatial distribution of pollution load index in street dust suggested that industries located south-west of the city intensify street dust pollution. Microscopic studies revealed six dominant group of morphological structures in calculation of the exposurethe street dusts and surface soils, with respect to different geogenic and anthropogenic sources. The BCR (the European Community Bureau of Reference) sequential extraction results showed that Sb, Ni, Mo, As and Cr bonded to silicates and sulfide minerals were highly resistant to dissolution. In contrast, Zn, Cd, and Mn were mostly associated with the exchangeable phase and thus would be easily mobilized in the environment. Cu was the most abundant metal in the reducible fraction, indicating its adsorption to iron and manganese oxy-hydroxides. Pb was equally extracted from exchangeable and reducible fractions. Anthropogenic sources related to traffic apparently play a small role in Cr, Ni and Mo contamination and dispersed them as bioavailable forms but with reduced mobility and bioavailablity due to high potential of complexation and adsorption to organic matter and iron and manganese oxy-hydroxides. Calculated Hazard Index (HI) suggests ingestion as the most important pathway for the majority of PTMs in children and dermal contact as the main exposure route for Cr, Cd and Sb for adults. The HIs and fractionation pattern of elements revealed Pb as the sole element that bears potential health risk in street dust and surface soil. Copyright © 2016 Elsevier Inc. All rights reserved.

  19. Mining for diagnostic information in body surface potential maps: A comparison of feature selection techniques

    Directory of Open Access Journals (Sweden)

    McCullagh Paul J

    2005-09-01

    Full Text Available Abstract Background In body surface potential mapping, increased spatial sampling is used to allow more accurate detection of a cardiac abnormality. Although diagnostically superior to more conventional electrocardiographic techniques, the perceived complexity of the Body Surface Potential Map (BSPM acquisition process has prohibited its acceptance in clinical practice. For this reason there is an interest in striking a compromise between the minimum number of electrocardiographic recording sites required to sample the maximum electrocardiographic information. Methods In the current study, several techniques widely used in the domains of data mining and knowledge discovery have been employed to mine for diagnostic information in 192 lead BSPMs. In particular, the Single Variable Classifier (SVC based filter and Sequential Forward Selection (SFS based wrapper approaches to feature selection have been implemented and evaluated. Using a set of recordings from 116 subjects, the diagnostic ability of subsets of 3, 6, 9, 12, 24 and 32 electrocardiographic recording sites have been evaluated based on their ability to correctly asses the presence or absence of Myocardial Infarction (MI. Results It was observed that the wrapper approach, using sequential forward selection and a 5 nearest neighbour classifier, was capable of choosing a set of 24 recording sites that could correctly classify 82.8% of BSPMs. Although the filter method performed slightly less favourably, the performance was comparable with a classification accuracy of 79.3%. In addition, experiments were conducted to show how (a features chosen using the wrapper approach were specific to the classifier used in the selection model, and (b lead subsets chosen were not necessarily unique. Conclusion It was concluded that both the filter and wrapper approaches adopted were suitable for guiding the choice of recording sites useful for determining the presence of MI. It should be noted however

  20. Identifying Key Issues and Potential Solutions for Integrated Arrival, Departure, Surface Operations by Surveying Stakeholder Preferences

    Science.gov (United States)

    Aponso, Bimal; Coppenbarger, Richard A.; Jung, Yoon; Quon, Leighton; Lohr, Gary; O’Connor, Neil; Engelland, Shawn

    2015-01-01

    NASA's Aeronautics Research Mission Directorate (ARMD) collaborates with the FAA and industry to provide concepts and technologies that enhance the transition to the next-generation air-traffic management system (NextGen). To facilitate this collaboration, ARMD has a series of Airspace Technology Demonstration (ATD) sub-projects that develop, demonstrate, and transitions NASA technologies and concepts for implementation in the National Airspace System (NAS). The second of these sub-projects, ATD-2, is focused on the potential benefits to NAS stakeholders of integrated arrival, departure, surface (IADS) operations. To determine the project objectives and assess the benefits of a potential solution, NASA surveyed NAS stakeholders to understand the existing issues in arrival, departure, and surface operations, and the perceived benefits of better integrating these operations. NASA surveyed a broad cross-section of stakeholders representing the airlines, airports, air-navigation service providers, and industry providers of NAS tools. The survey indicated that improving the predictability of flight times (schedules) could improve efficiency in arrival, departure, and surface operations. Stakeholders also mentioned the need for better strategic and tactical information on traffic constraints as well as better information sharing and a coupled collaborative planning process that allows stakeholders to coordinate IADS operations. To assess the impact of a potential solution, NASA sketched an initial departure scheduling concept and assessed its viability by surveying a select group of stakeholders for a second time. The objective of the departure scheduler was to enable flights to move continuously from gate to cruise with minimal interruption in a busy metroplex airspace environment using strategic and tactical scheduling enhanced by collaborative planning between airlines and service providers. The stakeholders agreed that this departure concept could improve schedule

  1. Potential and Actual impacts of deforestation and afforestation on land surface temperature

    Science.gov (United States)

    Li, Yan; Zhao, Maosheng; Mildrexler, David J.; Motesharrei, Safa; Mu, Qiaozhen; Kalnay, Eugenia; Zhao, Fang; Li, Shuangcheng; Wang, Kaicun

    2016-12-01

    Forests are undergoing significant changes throughout the globe. These changes can modify water, energy, and carbon balance of the land surface, which can ultimately affect climate. We utilize satellite data to quantify the potential and actual impacts of forest change on land surface temperature (LST) from 2003 to 2013. The potential effect of forest change on temperature is calculated by the LST difference between forest and nearby nonforest land, whereas the actual impact on temperature is quantified by the LST trend difference between deforested (afforested) and nearby unchanged forest (nonforest land) over several years. The good agreement found between potential and actual impacts both at annual and seasonal levels indicates that forest change can have detectable impacts on surface temperature trends. That impact, however, is different for maximum and minimum temperatures. Overall, deforestation caused a significant warming up to 0.28 K/decade on average temperature trends in tropical regions, a cooling up to -0.55 K/decade in boreal regions, a weak impact in the northern temperate regions, and strong warming (up to 0.32 K/decade) in the southern temperate regions. Afforestation induced an opposite impact on temperature trends. The magnitude of the estimated temperature impacts depends on both the threshold and the data set (Moderate Resolution Imaging Spectroradiometer and Landsat) by which forest cover change is defined. Such a latitudinal pattern in temperature impact is mainly caused by the competing effects of albedo and evapotranspiration on temperature. The methodology developed here can be used to evaluate the temperature change induced by forest cover change around the globe.

  2. Sensitivity of Rabbit Ventricular Action Potential and Ca2+ Dynamics to Small Variations in Membrane Currents and Ion Diffusion Coefficients

    Directory of Open Access Journals (Sweden)

    Yuan Hung Lo

    2013-01-01

    Full Text Available Little is known about how small variations in ionic currents and Ca2+ and Na+ diffusion coefficients impact action potential and Ca2+ dynamics in rabbit ventricular myocytes. We applied sensitivity analysis to quantify the sensitivity of Shannon et al. model (Biophys. J., 2004 to 5%–10% changes in currents conductance, channels distribution, and ion diffusion in rabbit ventricular cells. We found that action potential duration and Ca2+ peaks are highly sensitive to 10% increase in L-type Ca2+ current; moderately influenced by 10% increase in Na+-Ca2+ exchanger, Na+-K+ pump, rapid delayed and slow transient outward K+ currents, and Cl− background current; insensitive to 10% increases in all other ionic currents and sarcoplasmic reticulum Ca2+ fluxes. Cell electrical activity is strongly affected by 5% shift of L-type Ca2+ channels and Na+-Ca2+ exchanger in between junctional and submembrane spaces while Ca2+-activated Cl−-channel redistribution has the modest effect. Small changes in submembrane and cytosolic diffusion coefficients for Ca2+, but not in Na+ transfer, may alter notably myocyte contraction. Our studies highlight the need for more precise measurements and further extending and testing of the Shannon et al. model. Our results demonstrate usefulness of sensitivity analysis to identify specific knowledge gaps and controversies related to ventricular cell electrophysiology and Ca2+ signaling.

  3. Variation and Trends of Landscape Dynamics, Land Surface Phenology and Net Primary Production of the Appalachian Mountains

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yeqiao; Zhao, Jianjun; Zhou, Yuyu; Zhang, Hongyan

    2012-12-15

    The gradients of the Appalachian Mountains in elevations and latitudes provide a unique regional perspective of landscape variations in the eastern United States and a section of the southeastern Canada. This study reveals patterns and trends of landscape dynamics, land surface phenology and ecosystem production along the Appalachian Mountains using time series data from Global Inventory Modeling and Mapping Studies (GIMMS) and AVHRR Global Production Efficiency Model (GloPEM) datasets. We analyzed the spatial and temporal patterns of Normalized Difference Vegetation Index (NDVI), length of growing season (LOS) and net primary production (NPP) of selected ecoregions along the Appalachian Mountains regions. We compared the results out of the Appalachian Mountains regions in different spatial contexts including the North America and the Appalachian Trail corridor area. To reveal latitudinal variations we analyzed data and compared the results between 30°N-40°N and 40°N-50°N latitudes. The result revealed significant decreases in annual peak NDVI in the Appalachian Mountains regions. The trend for the Appalachian Mountains regions was -0.0018 (R2=0.55, P<0.0001) NDVI unit decrease per year during 25 years between 1982 and 2006. The LOS had prolonged 0.3 day yr-1 during 25 years over the Appalachian Mountains regions. The NPP increased by 2.68 gC m-2yr-2 in Appalachian Mountains regions from 1981 to 2000. The comparison with the North America reveals the effects of topography and ecosystem compositions of the Appalachian Mountains. The comparison with the Appalachian Trail corridor area provides a regional mega-transect view of the measured variables.

  4. Mutations Affecting Keratin 10 Surface-Exposed Residues Highlight the Structural Basis of Phenotypic Variation in Epidermolytic Ichthyosis.

    Science.gov (United States)

    Mirza, Haris; Kumar, Anil; Craiglow, Brittany G; Zhou, Jing; Saraceni, Corey; Torbeck, Richard; Ragsdale, Bruce; Rehder, Paul; Ranki, Annamari; Choate, Keith A

    2015-12-01

    Epidermolytic ichthyosis (EI) due to KRT10 mutations is a rare, typically autosomal dominant, disorder characterized by generalized erythema and cutaneous blistering at birth followed by hyperkeratosis and less frequent blistering later in life. We identified two KRT10 mutations p.Q434del and p.R441P in subjects presenting with a mild EI phenotype. Both occur within the mutational "hot spot" of the keratin 10 (K10) 2B rod domain, adjacent to severe EI-associated mutations. p.Q434del and p.R441P formed collapsed K10 fibers rather than aggregates characteristic of severe EI KRT10 mutations such as p.R156C. Upon differentiation, keratinocytes from p.Q434del showed significantly lower apoptosis (P-value<0.01) compared with p.R156C as assessed by the TUNEL assay. Conversely, the mitotic index of the p.Q434del epidermis was significantly higher compared with that of p.R156C (P-value<0.01) as estimated by the Ki67 assay. Structural basis of EI phenotype variation was investigated by homology-based modeling of wild-type and mutant K1-K10 dimers. Both mild EI mutations were found to affect the surface-exposed residues of the K10 alpha helix coiled-coil and caused localized disorganization of the K1-K10 heterodimer. In contrast, adjacent severe EI mutations disrupt key intermolecular dimer interactions. Our findings provide structural insights into phenotypic variation in EI due to KRT10 mutations.

  5. Kinetics studies of the F + HCl → HF + Cl reaction on an accurate potential energy surface

    Science.gov (United States)

    Lu, Dandan; Zhang, Ying; Li, Jun

    2018-02-01

    A full-dimensional electronic ground state potential energy surface for the hydrogen abstraction reaction F + HCl → HF + Cl is developed by using the permutation invariant polynomial neural network approach based on 6509 points computed at the level of CCSD(T)-F12a/AVTZ. Spin-orbit correction is also taken into account at the complete active space self-consistent field level. Theoretical thermal rate coefficients determined by the ring polymer molecular dynamics (RPMD) approach agree well with experiment, validating the accuracy of the PES. Kinetic isotope effect is also investigated.

  6. An experimental approach for measuring surface potential and second crossover energy in insulators

    International Nuclear Information System (INIS)

    Fakhfakh, S; Jbara, O; Rondot, S; Rau, E I; Fakhfakh, Z

    2008-01-01

    The goal of this work is to first measure the second crossover energy E 2S under stationary electron irradiation (charging conditions) and then to show that the charge balance occurs at this beam energy and not at E 2C , the energy deduced from non-charging conditions (short pulse irradiation) as commonly assumed. The experimental procedure is based on simultaneous time dependent measurements of surface potential, leakage and displacement currents. The study is illustrated by the estimate of the real landing energy of primary electrons E L and the second crossover energy E 2S for soda-lime glass

  7. An experimental approach for measuring surface potential and second crossover energy in insulators

    Energy Technology Data Exchange (ETDEWEB)

    Fakhfakh, S; Jbara, O; Rondot, S [UTAP/LASSI, EA 3802 Faculte des Sciences, BP 1039, 51687 Reims Cedex 2 (France); Rau, E I [Institute of Microelectronics Technology of Russian Academy of Science, 142432, Chernogolovka, Moscow District (Russian Federation); Fakhfakh, Z [LaMaCop, Faculte des Sciences, Route Soukra Km 3, BP 802, CP 3018 Sfax (Tunisia)], E-mail: slimfakhfakh@yahoo.fr

    2008-05-21

    The goal of this work is to first measure the second crossover energy E{sub 2S} under stationary electron irradiation (charging conditions) and then to show that the charge balance occurs at this beam energy and not at E{sub 2C}, the energy deduced from non-charging conditions (short pulse irradiation) as commonly assumed. The experimental procedure is based on simultaneous time dependent measurements of surface potential, leakage and displacement currents. The study is illustrated by the estimate of the real landing energy of primary electrons E{sub L} and the second crossover energy E{sub 2S} for soda-lime glass.

  8. A New Potential Energy Surface for N+O2: Is There an NOO Minimum?

    Science.gov (United States)

    Walch, Stephen P.

    1995-01-01

    We report a new calculation of the N+02 potential energy surface using complete active space self-consistent field internally contracted configuration interaction with the Dunning correlation consistent basis sets. The peroxy isomer of N02 is found to be a very shallow minimum separated from NO+O by a barrier of only 0.3 kcal/mol (excluding zero-point effects). The entrance channel barrier height is estimated to be 8.6 kcal/mol for ICCI+Q calculations correlating all but the Ols and N1s electrons with a cc-p VQZ basis set.

  9. Computed Potential Energy Surfaces and Minimum Energy Pathway for Chemical Reactions

    Science.gov (United States)

    Walch, Stephen P.; Langhoff, S. R. (Technical Monitor)

    1994-01-01

    Computed potential energy surfaces are often required for computation of such observables as rate constants as a function of temperature, product branching ratios, and other detailed properties. We have found that computation of the stationary points/reaction pathways using CASSCF/derivative methods, followed by use of the internally contracted CI method with the Dunning correlation consistent basis sets to obtain accurate energetics, gives useful results for a number of chemically important systems. Applications to complex reactions leading to NO and soot formation in hydrocarbon combustion are discussed.

  10. Critical points of the conformational potential energy surface of carbonic acid: H 2CO 3

    Science.gov (United States)

    Janoschek, Rudolf; Csizmadia, Imre G.

    199