A theoretical study on the effect of piezoelectric charges on the surface potential and surface depletion region of ZnO nanowires

International Nuclear Information System (INIS)

Purahmad, Mohsen; Stroscio, Michael A; Dutta, Mitra

2013-01-01

The electrostatic potential and depletion width in piezoelectric semiconductor nanowires are derived by considering a non-depleted region and a surface depleted region and solving the Poisson equation. By determining the piezoelectric-induced charge density, in terms of equivalent density of charges, the effect of piezoelectric charges on the surface depletion region and the distributed electric potential in nanowire have been investigated. The numerical results demonstrate that the ZnO NWs with a smaller radius have a larger surface depletion region which results in a stronger surface potential and depletion region perturbation by induced piezoelectric charges. (paper)

MALDI-MS Imaging Analysis of Fungicide Residue Distributions on Wheat Leaf Surfaces.

Science.gov (United States)

Annangudi, Suresh P; Myung, Kyung; Avila Adame, Cruz; Gilbert, Jeffrey R

2015-05-05

Improved retention and distribution of agrochemicals on plant surfaces is an important attribute in the biological activity of pesticide. Although retention of agrochemicals on plants after spray application can be quantified using traditional analytical techniques including LC or GC, the spatial distribution of agrochemicals on the plants surfaces has received little attention. Matrix assisted laser desorption/ionization (MALDI) imaging technology has been widely used to determine the distribution of proteins, peptides and metabolites in different tissue sections, but its application to environmental research has been limited. Herein, we probed the potential utility of MALDI imaging in characterizing the distribution of three commercial fungicides on wheat leaf surfaces. Using this MALDI imaging method, we were able to detect 500 ng of epoxiconazole, azoxystrobin, and pyraclostrobin applied in 1 μL drop on the leaf surfaces using MALDI-MS. Subsequent dilutions of pyraclostrobin revealed that the compound can be chemically imaged on the leaf surfaces at levels as low as 60 ng of total applied in the area of 1 μL droplet. After application of epoxiconazole, azoxystrobin, and pyraclostrobin at a field rate of 100 gai/ha in 200 L water using a track sprayer system, residues of these fungicides on the leaf surfaces were sufficiently visualized. These results suggest that MALDI imaging can be used to monitor spatial distribution of agrochemicals on leaf samples after pesticide application.

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.

Distribution of potentially hazardous phases in the subsurface at Yucca Mountain, Nevada

International Nuclear Information System (INIS)

Guthrie, G.D. Jr.; Bish, D.L.; Chipera, S.J.; Raymond, R. Jr.

1995-05-01

Drilling, trenching, excavation of the Exploratory Studies Facility, and other surface and underground-distributing activities have the potential to release minerals into the environment from tuffs at Yucca Mountain, Nevada. Some of these minerals may be potential respiratory health hazards. Therefore, an understanding of the distribution of the minerals that may potentially be liberated during site-characterization and operation of the potential repository is crucial to ensuring worker and public safety. Analysis of previously reported mineralogy of Yucca Mountain tuffs using data and criteria from the International Agency for Research on Cancer (IARC) suggests that the following minerals are of potential concern: quartz, cristobalite, tridymite, opal-CT, erionite, mordenite, and palygorskite. The authors have re-evaluated the three-dimensional mineral distribution at Yucca Mountain above the static water level both in bulk-rock samples and in fractures, using quantitative X-ray powder diffraction analysis. Erionite, mordenite, and palygorskite occur primarily in fractures; the crystalline-silica minerals, quartz, cristobalite, and tridymite are major bulk-rock phases. Erionite occurs in the altered zone just above the lower Topopah Spring Member vitrophyre, and an occurrence below the vitrophyre but above the Calico Hills has recently been identified. In this latter occurrence, erionite is present in the matrix at levels up to 35 wt%. Mordenite and palygorskite occur throughout the vadose zone nearly to the surface. Opal-CT is limited to zeolitic horizons

On equilibrium charge distribution above dielectric surface

Directory of Open Access Journals (Sweden)

Yu.V. Slyusarenko

2009-01-01

Full Text Available The problem of the equilibrium state of the charged many-particle system above dielectric surface is formulated. We consider the case of the presence of the external attractive pressing field and the case of its absence. The equilibrium distributions of charges and the electric field, which is generated by these charges in the system in the case of ideally plane dielectric surface, are obtained. The solution of electrostatic equations of the system under consideration in case of small spatial heterogeneities caused by the dielectric surface, is also obtained. These spatial inhomogeneities can be caused both by the inhomogeneities of the surface and by the inhomogeneous charge distribution upon it. In particular, the case of the "wavy" spatially periodic surface is considered taking into account the possible presence of the surface charges.

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.

Redox potential distribution of an organic-rich contaminated site obtained by the inversion of self-potential data

Science.gov (United States)

Abbas, M.; Jardani, A.; Soueid Ahmed, A.; Revil, A.; Brigaud, L.; Bégassat, Ph.; Dupont, J. P.

2017-11-01

Mapping the redox potential of shallow aquifers impacted by hydrocarbon contaminant plumes is important for the characterization and remediation of such contaminated sites. The redox potential of groundwater is indicative of the biodegradation of hydrocarbons and is important in delineating the shapes of contaminant plumes. The self-potential method was used to reconstruct the redox potential of groundwater associated with an organic-rich contaminant plume in northern France. The self-potential technique is a passive technique consisting in recording the electrical potential distribution at the surface of the Earth. A self-potential map is essentially the sum of two contributions, one associated with groundwater flow referred to as the electrokinetic component, and one associated with redox potential anomalies referred to as the electroredox component (thermoelectric and diffusion potentials are generally negligible). A groundwater flow model was first used to remove the electrokinetic component from the observed self-potential data. Then, a residual self-potential map was obtained. The source current density generating the residual self-potential signals is assumed to be associated with the position of the water table, an interface characterized by a change in both the electrical conductivity and the redox potential. The source current density was obtained through an inverse problem by minimizing a cost function including a data misfit contribution and a regularizer. This inversion algorithm allows the determination of the vertical and horizontal components of the source current density taking into account the electrical conductivity distribution of the saturated and non-saturated zones obtained independently by electrical resistivity tomography. The redox potential distribution was finally determined from the inverted residual source current density. A redox map was successfully built and the estimated redox potential values correlated well with in

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)

Interatomic potentials from rainbow scattering of keV noble gas atoms under axial surface channeling

International Nuclear Information System (INIS)

Schueller, A.; Wethekam, S.; Mertens, A.; Maass, K.; Winter, H.; Gaertner, K.

2005-01-01

For grazing scattering of keV Ne and Ar atoms from a Ag(1 1 1) and a Cu(1 1 1) surface under axial surface channeling conditions we observe well defined peaks in the angular distributions for scattered projectiles. These peaks can be attributed to 'rainbow-scattering' and are closely related to the geometry of potential energy surfaces which can be approximated by the superposition of continuum potentials along strings of atoms in the surface plane. The dependence of rainbow angles on the scattering geometry provides stringent tests on the scattering potentials. From classical trajectory calculations based on universal (ZBL), adjusted Moliere (O'Connor and Biersack), and individual interatomic potentials we obtain corresponding rainbow angles for comparison with the experimental data. We find good overall agreement with the experiments for a description of trajectories based on adjusted Moliere and individual potentials, whereas the agreement is poorer for potentials with ZBL screening

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.

Investigation of the surface potential of TiO2 (110) by frequency-modulation Kelvin probe force microscopy

Science.gov (United States)

Kou, Lili; Li, Yan Jun; Kamijyo, Takeshi; Naitoh, Yoshitaka; Sugawara, Yasuhiro

2016-12-01

We investigate the surface potential distribution on a TiO2 (110)-1 × 1 surface by Kelvin probe force microscopy (KPFM) and atom-dependent bias-distance spectroscopic mapping. The experimental results demonstrate that the local contact potential difference increases on twofold-coordinated oxygen sites, and decreases on OH defects and fivefold-coordinated Ti sites. We propose a qualitative model to explain the origin of the surface potential of TiO2 (110). We qualitatively calculate the surface potential induced by chemical potential and permanent surface dipole. The calculated results agree with our experimental ones. Therefore, we suggest that the surface potential of TiO2 (110) is dominated not only by the permanent surface dipole between the tip apex atom and surface, but also by the dipoles induced by the chemical interaction between the tip and sample. The KPFM technique demonstrate the possibility of investigation of the charge transfer phenomenon on TiO2 surface under gas conditions. It is useful for the elucidation of the mechanism of the catalytic reactions.

Second order classical perturbation theory for atom surface scattering: Analysis of asymmetry in the angular distribution

Energy Technology Data Exchange (ETDEWEB)

Zhou, Yun, E-mail: zhou.yun.x@gmail.com; Pollak, Eli, E-mail: eli.pollak@weizmann.ac.il [Chemical Physics Department, Weizmann Institute of Science, 76100 Rehovot (Israel); Miret-Artés, Salvador, E-mail: s.miret@iff.csic.es [Instituto de Fisica Fundamental, Consejo Superior de Investigaciones Cientificas, Serrano 123, 28006 Madrid (Spain)

2014-01-14

A second order classical perturbation theory is developed and applied to elastic atom corrugated surface scattering. The resulting theory accounts for experimentally observed asymmetry in the final angular distributions. These include qualitative features, such as reduction of the asymmetry in the intensity of the rainbow peaks with increased incidence energy as well as the asymmetry in the location of the rainbow peaks with respect to the specular scattering angle. The theory is especially applicable to “soft” corrugated potentials. Expressions for the angular distribution are derived for the exponential repulsive and Morse potential models. The theory is implemented numerically to a simplified model of the scattering of an Ar atom from a LiF(100) surface.

Second order classical perturbation theory for atom surface scattering: analysis of asymmetry in the angular distribution.

Science.gov (United States)

Zhou, Yun; Pollak, Eli; Miret-Artés, Salvador

2014-01-14

A second order classical perturbation theory is developed and applied to elastic atom corrugated surface scattering. The resulting theory accounts for experimentally observed asymmetry in the final angular distributions. These include qualitative features, such as reduction of the asymmetry in the intensity of the rainbow peaks with increased incidence energy as well as the asymmetry in the location of the rainbow peaks with respect to the specular scattering angle. The theory is especially applicable to "soft" corrugated potentials. Expressions for the angular distribution are derived for the exponential repulsive and Morse potential models. The theory is implemented numerically to a simplified model of the scattering of an Ar atom from a LiF(100) surface.

Convergent surface water distributions in U.S. cities

Science.gov (United States)

M.K. Steele; J.B. Heffernan; N. Bettez; J. Cavender-Bares; P.M. Groffman; J.M. Grove; S. Hall; S.E. Hobbie; K. Larson; J.L. Morse; C. Neill; K.C. Nelson; J. O' Neil-Dunne; L. Ogden; D.E. Pataki; C. Polsky; R. Roy Chowdhury

2014-01-01

Earth's surface is rapidly urbanizing, resulting in dramatic changes in the abundance, distribution and character of surface water features in urban landscapes. However, the scope and consequences of surface water redistribution at broad spatial scales are not well understood. We hypothesized that urbanization would lead to convergent surface water abundance and...

Assessing spatial distribution, sources, and potential ecological risk of heavy metals in surface sediments of the Nansi Lake, Eastern China

International Nuclear Information System (INIS)

Jianshu Lv; Bin Dai; Zulu Zhang; Yuanyuan Sun; Shuang Li; Yang Liu

2014-01-01

The study is conducted to investigate the spatial distribution, sources and ecological risk of seven heavy metals in surface sediments of Nansi Lake, Eastern China. A total of 29 samples were collected in surface sediments of Nansi Lake, and were analyzed for three nutrients (TN, TOC and TP), two major metals (Al and Fe), as well as seven trace metals (As, Cd, Cr, Cu, Hg, Pb and Zn). The mean concentrations of As, Cd, Cr, Cu, Hg, Pb, Zn, Fe and Al were 14.41, 0.22, 71.10, 30.1, 0.048, 29.14, 90.2, 30,816 and 70,653 mg kg -1 , respectively, and the mean contents of these metals were higher than the background values with the exception of Cu and Fe. The spatial distribution indicated that the contents of all seven heavy metals were characterized by relatively higher contents in the upper lake than the lower lake. The hotspots with high values of As, Cd and Hg were associated with the river mouths, and the hotspots of Pb were mainly located around the dam in the central part, while no significant associations were displayed between spatial distribution of Cr, Cu, Zn and the river mouths. The mean enrichment factor (EF) values of As, Cd, Hg and Pb were 2.03, 2.93, 3.21 and 2.18, respectively, showing their moderate enrichment, while Cr, Cu and Zn with mean EF values of 1.19, 0.89 and 1.01 were deficiency to minimal enrichment. Multivariate and geostatistical analyses suggested that PC1 controlled by Cr, Cu and Zn was a lithogenic component, and come from parent rocks leaching. PC2 including Cd and partially Hg represented the factor from industrial wastewater discharge. PC3 showed elevated loadings of As and partially Cd, and could be attributed to the agricultural practices. While PC4 including Pb and partially Hg, was dominated by coal combustion. The results of potential ecological risk suggested that sediment environment of Nansi Lake suffered from high ecological risk. (author)

Controlling charges distribution at the surface of a single GaN nanowire by in-situ strain

Directory of Open Access Journals (Sweden)

Xiao Chen

2017-08-01

Full Text Available Effect of the strain on the charge distribution at the surface of a GaN semiconductor nanowire (NW has been investigated inside transmission electron microscope (TEM by in-situ off-axis electron holography. The outer and inner surfaces of the NW bent axially under compression of two Au electrodes were differently strained, resulting in difference of their Fermi levels. Consequently, the free electrons flow from the high Fermi level to the low level until the two Fermi levels aligned in a line. The potential distributions induced by charge redistribution in the two vacuum sides of the bent NW were examined respectively, and the opposite nature of the bounded charges on the outer and inner surfaces of the bent NW was identified. The results provide experimental evidence that the charge distribution at the surfaces of a single GaN NW can be controlled by different strains created along the NW.

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.

Sliding surface searching method for slopes containing a potential weak structural surface

Directory of Open Access Journals (Sweden)

Aijun Yao

2014-06-01

Full Text Available Weak structural surface is one of the key factors controlling the stability of slopes. The stability of rock slopes is in general concerned with set of discontinuities. However, in soft rocks, failure can occur along surfaces approaching to a circular failure surface. To better understand the position of potential sliding surface, a new method called simplex-finite stochastic tracking method is proposed. This method basically divides sliding surface into two parts: one is described by smooth curve obtained by random searching, the other one is polyline formed by the weak structural surface. Single or multiple sliding surfaces can be considered, and consequently several types of combined sliding surfaces can be simulated. The paper will adopt the arc-polyline to simulate potential sliding surface and analyze the searching process of sliding surface. Accordingly, software for slope stability analysis using this method was developed and applied in real cases. The results show that, using simplex-finite stochastic tracking method, it is possible to locate the position of a potential sliding surface in the slope.

Distribution and characteristics of organic micropollutants in surface sediments from Bohai Sea

International Nuclear Information System (INIS)

Liu Wenxin; Chen Jianglin; Lin Xiumei; Tao Shu

2006-01-01

Spatial distribution and compositional characteristics of PAHs, DDTs and PCBs in surface sediments from Bohai Sea were investigated. Proportion of LMW PAHs at Jinzhou Bay was significant, due probably to the petrogenic sources from neighboring oil wells and plants, while HMW PAHs were dominant in the other sea areas, inferred pyrogenic origins mainly from coal or petroleum combustion. The average ERL quotient for the PAH species in Qinhuangdao and Liaodong Bay indicated relatively stronger potential ecological risk. The concentration ratios of DDT to metabolites (DDD + DDE) exceeded 1.0 in the coastal areas of Qinhuangdao, Liaodong Bay and Bohai Bay, demonstrated some recent inputs of DDT nearby, and DDD as the major degradation product. The concentrations of PCBs were generally low, however, the contents of DDTs were greater than the ERL guidelines in the coastal areas of Qinhuangdao, Liaodong Bay and Bohai Bay, and suggested the potential ecological risk. - The recent inputs of DDT in surface sediments at some sites of Bohai Sea indicated potential ecological risk

Distribution of hydrocarbon-utilizing microorganisms and hydrocarbon biodegradation potentials in Alaskan continental shelf areas

International Nuclear Information System (INIS)

Roubal, G.; Atlas, R.M.

1978-01-01

Hydrocarbon-utilizing microogranisms were enumerated from Alaskan continental shelf areas by using plate counts and a new most-probable-number procedure based on mineralization of 14 C-labeled hydrocarbons. Hydrocarbon utilizers were ubiquitously distributed, with no significant overall concentration differences between sampling regions or between surface water and sediment samples. There were, however, significant seasonal differences in numbers of hydrocarbon utilizers. Distribution of hydrocarbon utilizers within Cook Inlet was positively correlated with occurrence of hydrocarbons in the environment. Hydrocarbon biodegradation potentials were measured by using 14 C-radiolabeled hydrocarbon-spiked crude oil. There was no significant correlation between numbers of hydrocarbon utilizers and hydrocarbon biodegradation potentials. The biodegradation potentials showed large seasonal variations in the Beaufort Sea, probably due to seasonal depletion of available nutrients. Non-nutrient-limited biodegradation potentials followed the order hexadecane > naphthalene >> pristane > benzanthracene. In Cook Inlet, biodegradation potentials for hexadecane and naphthalene were dependent on availability of inorganic nutrients. Biodegradation potentials for pristane and benzanthracene were restricted, probably by resistance to attack by available enzymes in the indigenous population

Frequency response in surface-potential driven electrohydrodynamics

DEFF Research Database (Denmark)

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

2006-01-01

Using a Fourier approach we offer a general solution to calculations of slip velocity within the circuit description of the electrohydrodynamics in a binary electrolyte confined by a plane surface with a modulated surface potential. We consider the case with a spatially constant intrinsic surface...... 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...

Potentials of surfaces in space

International Nuclear Information System (INIS)

Whipple, E.C.

1981-01-01

The potential of a body in space is determined by a balance between various charging currents such as the transfer of charge from plasma particles, photoemission, and secondary electron emission. These processes are evaluated for bodies in the solar system and in interstellar space under the headings; an overview of charging, survey of early work on charging, charging processes, effects of non-isotropic plasmas and magnetic and electric fields, calculation of surface potentials, differential charging, potential barriers and discharge processes, measurements of potential, potential modification and control on spacecraft, and astrophysical applications. (U.K.)

Distribution of {sup 129}I in terrestrial surface water environments

Energy Technology Data Exchange (ETDEWEB)

Chen, Xuegao [State Key Laboratory of Hydrology-Water Resources and Hydraulic Engineering, Hohai University, Nanjing 210098 (China); College of Hydrology and Water Resources, Hohai University, Nanjing (China); Gong, Meng [College of Hydrology and Water Resources, Hohai University, Nanjing (China); Yi, Peng, E-mail: pengyi1915@163.com [State Key Laboratory of Hydrology-Water Resources and Hydraulic Engineering, Hohai University, Nanjing 210098 (China); College of Hydrology and Water Resources, Hohai University, Nanjing (China); Aldahan, Ala [Department of Earth Sciences, Uppsala University, Uppsala (Sweden); Department of Geology, United Arab Emirates University, Al Ain (United Arab Emirates); Yu, Zhongbo [State Key Laboratory of Hydrology-Water Resources and Hydraulic Engineering, Hohai University, Nanjing 210098 (China); College of Hydrology and Water Resources, Hohai University, Nanjing (China); Possnert, Göran [Tandem Laboratory, Uppsala University, Uppsala (Sweden); Chen, Li [State Key Laboratory of Hydrology-Water Resources and Hydraulic Engineering, Hohai University, Nanjing 210098 (China); College of Hydrology and Water Resources, Hohai University, Nanjing (China)

2015-10-15

The global distribution of the radioactive isotope iodine-129 in surface waters (lakes and rivers) is presented here and compared with the atmospheric deposition and distribution in surface marine waters. The results indicate relatively high concentrations in surface water systems in close vicinity of the anthropogenic release sources as well as in parts of Western Europe, North America and Central Asia. {sup 129}I level is generally higher in the terrestrial surface water of the Northern hemisphere compared to the southern hemisphere. The highest values of {sup 129}I appear around 50°N and 40°S in the northern and southern hemisphere, separately. Direct gaseous and marine atmospheric emissions are the most likely avenues for the transport of {sup 129}I from the sources to the terrestrial surface waters. To apply iodine-129 as process tracer in terrestrial surface water environment, more data are needed on {sup 129}I distribution patterns both locally and globally.

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.

X-ray evaluation of residual stress distributions within surface machined layer generated by surface machining and sequential welding

International Nuclear Information System (INIS)

Taniguchi, Yuu; Okano, Shigetaka; Mochizuki, Masahito

2017-01-01

The excessive tensile residual stress generated by welding after surface machining may be an important factor to cause stress corrosion cracking (SCC) in nuclear power plants. Therefore we need to understand and control the residual stress distribution appropriately. In this study, residual stress distributions within surface machined layer generated by surface machining and sequential welding were evaluated by X-ray diffraction method. Depth directional distributions were also investigated by electrolytic polishing. In addition, to consider the effect of work hardened layer on the residual stress distributions, we also measured full width at half maximum (FWHM) obtained from X-ray diffraction. Testing material was a low-carbon austenitic stainless steel type SUS316L. Test specimens were prepared by surface machining with different cutting conditions. Then, bead-on-plate welding under the same welding condition was carried out on the test specimens with different surface machined layer. As a result, the tensile residual stress generated by surface machining increased with increasing cutting speed and showed nearly uniform distributions on the surface. Furthermore, the tensile residual stress drastically decreased with increasing measurement depth within surface machined layer. Then, the residual stress approached 0 MPa after the compressive value showed. FWHM also decreased drastically with increasing measurement depth and almost constant value from a certain depth, which was almost equal regardless of the machining condition, within surface machined layer in all specimens. After welding, the transverse distribution of the longitudinal residual stress varied in the area apart from the weld center according to machining conditions and had a maximum value in heat affected zone. The magnitude of the maximum residual stress was almost equal regardless of the machining condition and decreased with increasing measurement depth within surface machined layer. Finally, the

The surface chemistry of divalent metal carbonate minerals; a critical assessment of surface charge and potential data using the charge distribution multi-site ion complexation model

NARCIS (Netherlands)

Wolthers, M.; Charlet, L.; Van Cappellen, P.

2008-01-01

The Charge Distribution MUltiSite Ion Complexation or CD–MUSIC modeling approach is used to describe the chemical structure of carbonate mineralaqueous solution interfaces. The new model extends existing surface complexation models of carbonate minerals, by including atomic scale information on

Temperature distribution and heat radiation of patterned surfaces at short wavelengths

Science.gov (United States)

Emig, Thorsten

2017-05-01

We analyze the equilibrium spatial distribution of surface temperatures of patterned surfaces. The surface is exposed to a constant external heat flux and has a fixed internal temperature that is coupled to the outside heat fluxes by finite heat conductivity across the surface. It is assumed that the temperatures are sufficiently high so that the thermal wavelength (a few microns at room temperature) is short compared to all geometric length scales of the surface patterns. Hence the radiosity method can be employed. A recursive multiple scattering method is developed that enables rapid convergence to equilibrium temperatures. While the temperature distributions show distinct dependence on the detailed surface shapes (cuboids and cylinder are studied), we demonstrate robust universal relations between the mean and the standard deviation of the temperature distributions and quantities that characterize overall geometric features of the surface shape.

Angular distribution of sputtered atoms from Al-Sn alloy and surface topography

International Nuclear Information System (INIS)

Wang Zhenxia; Pan Jisheng; Zhang Jiping; Tao Zhenlan

1992-01-01

If an alloy is sputtered the angular distribution of the sputtered atoms can be different for each component. At high ion energies in the range of linear cascade theory, different energy distributions for components of different mass in the solid are predicted. Upon leaving the surface, i.e. overcoming the surface binding energy, these differences should show up in different angular distributions. Differences in the angular distribution are of much practical interest, for example, in thin-film deposition by sputtering and surface analysis by secondary-ion mass spectroscopy and Auger electron spectroscopy. Recently our experimental work has shown that for Fe-W alloy the surface microtopography becomes dominant and determines the shape of the angular distribution of the component. However, with the few experimental results available so far it is too early to draw any general conclusions for the angular distribution of the sputtered constituents. Thus, the aim of this work was to study further the influence of the surface topography on the shape of the angular distribution of sputtered atoms from an Al-Sn alloy. (Author)

Potential distribution of a nonuniformly charged ellipsoid

International Nuclear Information System (INIS)

Kiwamoto, Y.; Aoki, J.; Soga, Y.

2004-01-01

A convenient formula is obtained for fast calculation of the three-dimensional potential distribution associated with a spatially varying charge-density distribution by reconstructing it as a superposed set of nested spheroidal shells. It is useful for experimental analyses of near-equilibrium states of non-neutral plasmas and for quick evaluation of the gravity field associated with stellar mass distributions

Biaxial potential of surface-stabilized ferroelectric liquid crystals

Science.gov (United States)

Kaznacheev, Anatoly; Pozhidaev, Evgeny; Rudyak, Vladimir; Emelyanenko, Alexander V.; Khokhlov, Alexei

2018-04-01

A biaxial surface potential Φs of smectic-C* surface-stabilized ferroelectric liquid crystals (SSFLCs) is introduced in this paper to explain the experimentally observed electric-field dependence of polarization P˜cell(E ) , in particular the shape of the static hysteresis loops. Our potential consists of three independent parts. The first nonpolar part Φn describes the deviation of the prime director n (which is the most probable orientation of the long molecular axes) from the easy alignment axis R , which is located in the boundary surface plane. It is introduced in the same manner as the uniaxial Rapini potential. The second part Φp of the potential is a polar term associated with the presence of the polar axis in a FLC. The third part Φm relates to the inherent FLC biaxiality, which has not been taken into consideration previously. The Φm part takes into account the deviations of the secondary director m (which is the most probable orientation of the short molecular axes) from the normal to the boundary surface. The overall surface potential Φs, which is a sum of Φn,Φp , and Φm, allows one to model the conditions when either one, two, or three minima of the SSFLC cell free energy are realized depending on the biaxiality extent. A monodomain or polydomain structure, as well as the bistability or monostability of SSFLC cells, depends on the number of free-energy minima, as confirmed experimentally. In this paper, we analyze the biaxiality impact on the FLC alignment. We also answer the question of whether the bistable or monostable structure can be formed in an SSFLC cell. Our approach is essentially based on a consideration of the biaxial surface potential, while the uniaxial surface potential cannot adequately describe the experimental observations in the FLC.

Using semi-variogram analysis for providing spatially distributed information on soil surface condition for land surface modeling

Science.gov (United States)

Croft, Holly; Anderson, Karen; Kuhn, Nikolaus J.

2010-05-01

The ability to quantitatively and spatially assess soil surface roughness is important in geomorphology and land degradation studies. Soils can experience rapid structural degradation in response to land cover changes, resulting in increased susceptibility to erosion and a loss of Soil Organic Matter (SOM). Changes in soil surface condition can also alter sediment detachment, transport and deposition processes, infiltration rates and surface runoff characteristics. Deriving spatially distributed quantitative information on soil surface condition for inclusion in hydrological and soil erosion models is therefore paramount. However, due to the time and resources involved in using traditional field sampling techniques, there is a lack of spatially distributed information on soil surface condition. Laser techniques can provide data for a rapid three dimensional representation of the soil surface at a fine spatial resolution. This provides the ability to capture changes at the soil surface associated with aggregate breakdown, flow routing, erosion and sediment re-distribution. Semi-variogram analysis of the laser data can be used to represent spatial dependence within the dataset; providing information about the spatial character of soil surface structure. This experiment details the ability of semi-variogram analysis to spatially describe changes in soil surface condition. Soil for three soil types (silt, silt loam and silty clay) was sieved to produce aggregates between 1 mm and 16 mm in size and placed evenly in sample trays (25 x 20 x 2 cm). Soil samples for each soil type were exposed to five different durations of artificial rainfall, to produce progressively structurally degraded soil states. A calibrated laser profiling instrument was used to measure surface roughness over a central 10 x 10 cm plot of each soil state, at 2 mm sample spacing. The laser data were analysed within a geostatistical framework, where semi-variogram analysis quantitatively represented

Repulsive Casimir-Polder potential by a negative reflecting surface

Science.gov (United States)

Yuan, Qi-Zhang

2015-07-01

We present a scheme to generate an all-range long repulsive Casimir-Polder potential between a perfect negative reflecting surface and a ground-state atom. The repulsive potential is stable and does not decay with time. The Casimir-Polder potential is proportional to z-2 at short atom-surface distances and to z-4 at long atom-surface distances. Because of these advantages, this potential can help in building quantum reflectors, quantum levitating devices, and waveguides for matter waves.

Determining roof surfaces suitable for the installation of PV (photovoltaic) systems, based on LiDAR (Light Detection And Ranging) data, pyranometer measurements, and distribution network configuration

International Nuclear Information System (INIS)

Srećković, Nevena; Lukač, Niko; Žalik, Borut; Štumberger, Gorazd

2016-01-01

Proliferation of distributed generation units, integrated within the distribution network requires increased attention to their proper placements. In urban areas, buildings' rooftops are expected to have greater involvement in the deployment of PV (photovoltaic) systems. This paper proposes a novel procedure for determining roof surfaces suitable for their installation. The PV potential of roof surfaces is assessed based on Light Detection And Ranging (LiDAR) data and pyranometer measurements. Then, the time-dependent PV generation profiles, electricity distribution network configuration, and time-dependent loading profiles are used together over time-steps for selecting those roof surfaces with the highest PV potential, which would lead to the highest reduction of network losses per year. The presented procedure was implemented within a real urban area distribution network. The results obtained confirmed that PV potential assessment could be an insufficient criterion when selecting those roof surfaces suitable for the installation of PV systems. In order to obtain relevant results, network configuration and time-dependent loading and generation profiles must be considered as well. - Highlights: • Roof surfaces, suitable for installation of PV systems are evaluated and ranked. • Improved PV potential based procedure is proposed for their selection in urban areas. • Time-dependent network loading and PV generation profiles are considered. • Losses in a real electricity network are minimized in the optimization procedure. • Final selection of ranked roof surfaces is based on results of optimization.

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.

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

International Nuclear Information System (INIS)

Rundgren, J.

2003-01-01

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

Effects of image charges, interfacial charge discreteness, and surface roughness on the zeta potential of spherical electric double layers.

Science.gov (United States)

Gan, Zecheng; Xing, Xiangjun; Xu, Zhenli

2012-07-21

We investigate the effects of image charges, interfacial charge discreteness, and surface roughness on spherical electric double layer structures in electrolyte solutions with divalent counterions in the setting of the primitive model. By using Monte Carlo simulations and the image charge method, the zeta potential profile and the integrated charge distribution function are computed for varying surface charge strengths and salt concentrations. Systematic comparisons were carried out between three distinct models for interfacial charges: (1) SURF1 with uniform surface charges, (2) SURF2 with discrete point charges on the interface, and (3) SURF3 with discrete interfacial charges and finite excluded volume. By comparing the integrated charge distribution function and the zeta potential profile, we argue that the potential at the distance of one ion diameter from the macroion surface is a suitable location to define the zeta potential. In SURF2 model, we find that image charge effects strongly enhance charge inversion for monovalent interfacial charges, and strongly suppress charge inversion for multivalent interfacial charges. For SURF3, the image charge effect becomes much smaller. Finally, with image charges in action, we find that excluded volumes (in SURF3) suppress charge inversion for monovalent interfacial charges and enhance charge inversion for multivalent interfacial charges. Overall, our results demonstrate that all these aspects, i.e., image charges, interfacial charge discreteness, their excluding volumes, have significant impacts on zeta potentials of electric double layers.

Ion distributions at charged aqueous surfaces: Synchrotron X-ray scattering studies

Energy Technology Data Exchange (ETDEWEB)

Bu, Wei [Iowa State Univ., Ames, IA (United States)

2009-01-01

Surface sensitive synchrotron X-ray scattering studies were performed to obtain the distribution of monovalent ions next to a highly charged interface at room temperature. To control surface charge density, lipids, dihexadecyl hydrogen-phosphate (DHDP) and dimysteroyl phosphatidic acid (DMPA), were spread as monolayer materials at the air/water interface, containing CsI at various concentrations. Five decades in bulk concentrations (CsI) are investigated, demonstrating that the interfacial distribution is strongly dependent on bulk concentration. We show that this is due to the strong binding constant of hydronium H3O+ to the phosphate group, leading to proton-transfer back to the phosphate group and to a reduced surface charge. Using anomalous reflectivity off and at the L3 Cs+ resonance, we provide spatial counterion (Cs+) distributions next to the negatively charged interfaces. The experimental ion distributions are in excellent agreement with a renormalized surface charge Poisson-Boltzmann theory for monovalent ions without fitting parameters or additional assumptions. Energy Scans at four fixed momentum transfers under specular reflectivity conditions near the Cs+ L3 resonance were conducted on 10-3 M CsI with DHDP monolayer materials on the surface. The energy scans exhibit a periodic dependence on photon momentum transfer. The ion distributions obtained from the analysis are in excellent agreement with those obtained from anomalous reflectivity measurements, providing further confirmation to the validity of the renormalized surface charge Poisson-Boltzmann theory for monovalent ions. Moreover, the dispersion corrections f0 and f00 for Cs+ around L3 resonance, revealing the local environment of a Cs+ ion in the solution at the interface, were extracted simultaneously with output of ion distributions.

Surface-water radon-222 distribution along the west-central Florida shelf

Science.gov (United States)

Smith, C.G.; Robbins, L.L.

2012-01-01

In February 2009 and August 2009, the spatial distribution of radon-222 in surface water was mapped along the west-central Florida shelf as collaboration between the Response of Florida Shelf Ecosystems to Climate Change project and a U.S. Geological Survey Mendenhall Research Fellowship project. This report summarizes the surface distribution of radon-222 from two cruises and evaluates potential physical controls on radon-222 fluxes. Radon-222 is an inert gas produced overwhelmingly in sediment and has a short half-life of 3.8 days; activities in surface water ranged between 30 and 170 becquerels per cubic meter. Overall, radon-222 activities were enriched in nearshore surface waters relative to offshore waters. Dilution in offshore waters is expected to be the cause of the low offshore activities. While thermal stratification of the water column during the August survey may explain higher radon-222 activities relative to the February survey, radon-222 activity and integrated surface-water inventories decreased exponentially from the shoreline during both cruises. By estimating radon-222 evasion by wind from nearby buoy data and accounting for internal production from dissolved radium-226, its radiogenic long-lived parent, a simple one-dimensional model was implemented to determine the role that offshore mixing, benthic influx, and decay have on the distribution of excess radon-222 inventories along the west Florida shelf. For multiple statistically based boundary condition scenarios (first quartile, median, third quartile, and maximum radon-222 inshore of 5 kilometers), the cross-shelf mixing rates and average nearshore submarine groundwater discharge (SGD) rates varied from 100.38 to 10-3.4 square kilometers per day and 0.00 to 1.70 centimeters per day, respectively. This dataset and modeling provide the first attempt to assess cross-shelf mixing and SGD on such a large spatial scale. Such estimates help scale up SGD rates that are often made at 1- to 10-meter

The OH + D2 --> HOD + D angle-velocity distribution: quasi-classical trajectory calculations on the YZCL2 and WSLFH potential energy surfaces and comparison with experiments at ET = 0.28 eV.

Science.gov (United States)

Sierra, José Daniel; Martínez, Rodrigo; Hernando, Jordi; González, Miguel

2009-12-28

The angle-velocity distribution (HOD) of the OH + D(2) reaction at a relative translational energy of 0.28 eV has been calculated using the quasi-classical trajectory (QCT) method on the two most recent potential energy surfaces available (YZCL2 and WSLFH PESs), widely extending a previous investigation of our group. Comparison with the high resolution experiments of Davis and co-workers (Science, 2000, 290, 958) shows that the structures (peaks) found in the relative translational energy distributions of products could not be satisfactorily reproduced in the calculations, probably due to the classical nature of the QCT method and the importance of quantum effects. The calculations, however, worked quite well for other properties. Overall, both surfaces led to similar results, although the YZCL2 surface is more accurate to describe the H(3)O PES, as derived from comparison with high level ab initio results. The differences observed in the QCT calculations were interpreted considering the somewhat larger anisotropy of the YZCL2 PES when compared with the WSLFH PES.

Physisorption of an electron in deep surface potentials off a dielectric surface

International Nuclear Information System (INIS)

Heinisch, R. L.; Bronold, F. X.; Fehske, H.

2011-01-01

We study phonon-mediated adsorption and desorption of an electron at dielectric surfaces with deep polarization-induced surface potentials where multiphonon transitions are responsible for electron energy relaxation. Focusing on multiphonon processes due to the nonlinearity of the coupling between the external electron and the acoustic bulk phonon triggering the transitions between surface states, we calculate electron desorption times for graphite, MgO, CaO, Al 2 O 3 , and SiO 2 and electron sticking coefficients for Al 2 O 3 , CaO, and SiO 2 . To reveal the kinetic stages of electron physisorption, we moreover study the time evolution of the image-state occupancy and the energy-resolved desorption flux. Depending on the potential depth and the surface temperature, we identify two generic scenarios: (i) adsorption via trapping in shallow image states followed by relaxation to the lowest image state and desorption from that state via a cascade through the second strongly bound image state in not too deep potentials, and (ii) adsorption via trapping in shallow image states but followed by a relaxation bottleneck retarding the transition to the lowest image state and desorption from that state via a one-step process to the continuum in deep potentials.

Evaluation of the Surface Water Distribution in North-Central Namibia Based on MODIS and AMSR Series

Directory of Open Access Journals (Sweden)

Hiroki Mizuochi

2014-08-01

Full Text Available Semi-arid North-central Namibia has high potential for rice cultivation because large seasonal wetlands (oshana form during the rainy season. Evaluating the distribution of surface water would reveal the area potentially suitable for rice cultivation. In this study, we detected the distribution of surface water with high spatial and temporal resolution by using two types of complementary satellite data: MODIS (MODerate-resolution Imaging Spectroradiometer and AMSR-E (Advanced Microwave Scanning Radiometer–Earth Observing System, using AMSR2 after AMSR-E became unavailable. We combined the modified normalized-difference water index (MNDWI from the MODIS data with the normalized-difference polarization index (NDPI from the AMSR-E and AMSR2 data to determine the area of surface water. We developed a simple gap-filling method (“database unmixing” with the two indices, thereby providing daily 500-m-resolution MNDWI maps of north-central Namibia regardless of whether the sky was clear. Moreover, through receiver-operator characteristics (ROC analysis, we determined the threshold MNDWI (−0.316 for wetlands. Using ROC analysis, MNDWI had moderate performance (the area under the ROC curve was 0.747, and the recognition error for seasonal wetlands and dry land was 21.2%. The threshold MNDWI let us calculate probability of water presence (PWP maps for the rainy season and the whole year. The PWP maps revealed the total area potentially suitable for rice cultivation: 1255 km2 (1.6% of the study area.

Vertical distribution of dehalogenating bacteria in mangrove sediment and their potential to remove polybrominated diphenyl ether contamination.

Science.gov (United States)

Pan, Ying; Chen, Juan; Zhou, Haichao; Farzana, Shazia; Tam, Nora F Y

2017-11-30

The removal and degradation of polybrominated diphenyl ethers (PBDEs) in sediments are not clear. The vertical distribution of total and dehalogenating bacteria in sediment cores collected from a typical mangrove swamp in South China and their intrinsic degradation potential were investigated. These bacterial groups had the highest abundances in surface sediments (0-5cm). A 5-months microcosm experiment also showed that surface sediments had the highest rate to remove BDE-47 than deeper sediments (5-30cm) under anaerobic condition. The deeper sediments, being more anaerobic, had lower population of dehalogenating bacteria leading to a weaker BDE-47 removal potential than surface sediments. Stepwise multiple regression analysis indicated that Dehalococcoides spp. were the most important dehalogenating bacteria affecting the anaerobic removal of BDE-47 in mangrove sediments. This is the first study reporting that mangrove sediments harbored diverse groups of dehalogenating bacteria and had intrinsic potential to remove PBDE contamination. Copyright © 2016 Elsevier Ltd. All rights reserved.

Numerical simulations of electric potential field for alternating current potential drop associated with surface cracks in low-alloy steel nuclear material

Science.gov (United States)

Yeh, Chun-Ping; Huang, Jiunn-Yuan

2018-04-01

Low-alloy steels used as structural materials in nuclear power plants are subjected to cyclic stresses during power plant operations. As a result, cracks may develop and propagate through the material. The alternating current potential drop technique is used to measure the lengths of cracks in metallic components. The depth of the penetration of the alternating current is assumed to be small compared to the crack length. This assumption allows the adoption of the unfolding technique to simplify the problem to a surface Laplacian field. The numerical modelling of the electric potential and current density distribution prediction model for a compact tension specimen and the unfolded crack model are presented in this paper. The goal of this work is to conduct numerical simulations to reduce deviations occurring in the crack length measurements. Numerical simulations were conducted on AISI 4340 low-alloy steel with different crack lengths to evaluate the electric potential distribution. From the simulated results, an optimised position for voltage measurements in the crack region was proposed.

Direct Observation of Surface Potential Distribution in Insulation Resistance Degraded Acceptor-Doped BaTiO3 Multilayered Ceramic Capacitors

Science.gov (United States)

Hong, Kootak; Lee, Tae Hyung; Suh, Jun Min; Park, Jae-Sung; Kwon, Hyung-Soon; Choi, Jaeho; Jang, Ho Won

2018-05-01

Insulation resistance (IR) degradation in BaTiO3 is a key issue for developing miniaturized multilayer ceramic capacitors (MLCCs) with high capacity. Despite rapid progress in BaTiO3-based MLCCs, the mechanism of IR degradation is still controversial. In this study, we demonstrate the Al doping effect on IR degradation behavior of BaTiO3 MLCCs by electrical measurements and scanning Kelvin probe microscopy (SKPM). As the Al doping concentration in BaTiO3 increases, IR degradation of MLCCs seems to be suppressed from electrical characterization results. However, SKPM results reveal that the conductive regions near the cathode become lager with Al doping after IR degradation. The formation of conducting regions is attributed to the migration of oxygen vacancies, which is the origin of IR degradation in BaTiO3, in dielectric layers. These results imply that acceptor doping in BaTiO3 solely cannot suppress the IR degradation in MLCC even though less asymmetric IR characteristics and IR degradation in MLCCs with higher Al doping concentration are observed from electrical characterization. Our results strongly suggest that observing the surface potential distribution in IR degraded dielectric layers using SKPM is an effective method to unravel the mechanism of IR degradation in MLCCs.

The influence of local glucose oxidase activity on the potential/current distribution on stainless steel: A study by the wire beam electrode method

Energy Technology Data Exchange (ETDEWEB)

Wang Wei [Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, Ocean University of China, College of Chemistry and Chemical Engineering, Qingdao, 266100 (China)], E-mail: wwei@ouc.edu.cn; Zhang Xia [Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, Ocean University of China, College of Chemistry and Chemical Engineering, Qingdao, 266100 (China); Wang Jia [Key Laboratory of Marine Chemistry Theory and Technology, Ministry of Education, Ocean University of China, College of Chemistry and Chemical Engineering, Qingdao, 266100 (China); State Key Laboratory for Corrosion and Protection, Shenyang, 110016 (China)

2009-09-30

The wire beam electrode (WBE) method was first used to study the activity of local glucose oxidase (GOD) on stainless steel surface in seawater. Glucose oxidase was immobilized in calcium alginate gel capsules, which were embedded in a layer of artificial biofilm (calcium alginate gel) on the WBE surface. The potential/current distributions on the WBE surface were mapped using a newly developed device for the WBE method in our lab. The results demonstrated that the catalysis of H{sub 2}O{sub 2} formation by GOD can produce local noble potential peaks and cathodic current zones on the stainless steel surface. An interesting fluctuant current distribution around cathodic zones was observed the first time. The potential and current maps showed that the enzyme heterogeneity of the artificial biofilm caused a corresponding electrochemical heterogeneity at the biofilm/metal interface. The application of the WBE method to ennoblement study enables us to observe the heterogeneous electrochemistry at biofilm/stainless steel interface directly, providing us with a powerful tool to investigate other biofilm-related processes such as microbially influenced corrosion (MIC)

The influence of local glucose oxidase activity on the potential/current distribution on stainless steel: A study by the wire beam electrode method

International Nuclear Information System (INIS)

Wang Wei; Zhang Xia; Wang Jia

2009-01-01

The wire beam electrode (WBE) method was first used to study the activity of local glucose oxidase (GOD) on stainless steel surface in seawater. Glucose oxidase was immobilized in calcium alginate gel capsules, which were embedded in a layer of artificial biofilm (calcium alginate gel) on the WBE surface. The potential/current distributions on the WBE surface were mapped using a newly developed device for the WBE method in our lab. The results demonstrated that the catalysis of H 2 O 2 formation by GOD can produce local noble potential peaks and cathodic current zones on the stainless steel surface. An interesting fluctuant current distribution around cathodic zones was observed the first time. The potential and current maps showed that the enzyme heterogeneity of the artificial biofilm caused a corresponding electrochemical heterogeneity at the biofilm/metal interface. The application of the WBE method to ennoblement study enables us to observe the heterogeneous electrochemistry at biofilm/stainless steel interface directly, providing us with a powerful tool to investigate other biofilm-related processes such as microbially influenced corrosion (MIC).

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.

Polybrominated diphenyl ethers in surface sediments of the Yangtze River Delta: Levels, distribution and potential hydrodynamic influence

International Nuclear Information System (INIS)

Chen Shejun; Gao Xiaojiang; Mai Bixian; Chen Zhuomin; Luo Xiaojun; Sheng Guoying; Fu Jiamo; Zeng, Eddy Y.

2006-01-01

A total of 32 surface sediments collected from the Yangtze River Estuary, Hangzhou Bay and the Qiantang River were analyzed for polybrominated diphenyl ethers (PBDEs). The concentrations of ΣPBDEs (sum of 12 PBDE congeners without BDE 209) and BDE 209 varied from n.d. to 0.55 and from 0.16 to 94.6 ng/g, respectively. The spatial variability of ΣPBDEs concentrations indicated that waste discharge from the urban areas might been the main source of PBDEs in the Yangtze River Delta. BDE 209 was the predominant congener (∼90-100%) detected among the 13 congeners, consistent with the fact that technical deca-BDE mixtures are presently the dominant technical PBDE mixtures used in China. Compared to published data acquired from other locales, PBDE congeners with less than four bromines were more abundant in the present study area. The hydrodynamic conditions may likely be a significant factor in dictating the observed levels and congener distribution patterns of PBDEs. - This study discussed the possible effects of hydrodynamic conditions on the distribution of PBDEs in estuarine and marine boundary

Time-dependent image potential at a metal surface

International Nuclear Information System (INIS)

Alducin, M.; Diez Muino, R.; Juaristi, J.I.

2003-01-01

Transient effects in the image potential induced by a point charge suddenly created in front of a metal surface are studied. The time evolution of the image potential is calculated using linear response theory. Two different time scales are defined: (i) the time required for the creation of the image potential and (ii) the time it takes to converge to its stationary value. Their dependence on the distance of the charge to the surface is discussed. The effect of the electron gas damping is also analyzed. For a typical metallic density, the order of magnitude of the creation time is 0.1 fs, whereas for a charge created close to the surface the convergence time is around 1-2 fs

[Age-related characteristics of the surface bioelectrical potential of human, canine and rat teeth and features of its distribution over the surface of the crown].

Science.gov (United States)

Donskiĭ, G I; Pavliuchenko, O N; Palamarchuk, Iu N; Makarova, N Ia

1989-01-01

Using a digital electron voltmeter, bioelectrical potentials (BEPs) of dental crowns have been recorded in 180 patients, 36 dogs, and 93 white non-inbred rats. It has been established that the surface BEP is a marker of dental enamel maturation and does not depend on the species of mammals. On the other hand maturation processes differ in their rate on the cutting edge, equator, and neck: with advancing age algebraic difference between the magnitudes of surface BEPs decreases in humans and increases in dogs and rats.

The Transit-Time Distribution from the Northern Hemisphere Midlatitude Surface

Science.gov (United States)

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

2015-01-01

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

Surface effects on mean inner potentials studied using density functional theory

Energy Technology Data Exchange (ETDEWEB)

Pennington, Robert S., E-mail: robert.pennington@uni-ulm.de [Institute for Experimental Physics, Ulm University, Albert-Einstein-Allee 11, 89081 Ulm (Germany); Boothroyd, Chris B.; Dunin-Borkowski, Rafal E. [Ernst Ruska-Centre and Peter Grüneberg Institute, Forschungzentrum Jülich, 52425 Jülich (Germany)

2015-12-15

Quantitative materials characterization using electron holography frequently requires knowledge of the mean inner potential, but reported experimental mean inner potential measurements can vary widely. Using density functional theory, we have simulated the mean inner potential for materials with a range of different surface conditions and geometries. We use both “thin-film” and “nanowire” specimen geometries. We consider clean bulk-terminated surfaces with different facets and surface reconstructions using atom positions from both structural optimization and experimental data and we also consider surfaces both with and without adsorbates. We find that the mean inner potential is surface-dependent, with the strongest dependency on surface adsorbates. We discuss the outlook and perspective for future mean inner potential measurements. - Highlights: • Density functional theory (DFT) is used to simulate mean inner potentials (MIP). • Applications for MIP electron holography measurements are considered. • MIPs are found to be surface-dependent, for thin-film and nanowire geometries. • The DFT simulation precision is extensively tested for multiple materials. • Surface adsorbates can create a strong positive or negative effect.

Corrected body surface potential mapping.

Science.gov (United States)

Krenzke, Gerhard; Kindt, Carsten; Hetzer, Roland

2007-02-01

In the method for body surface potential mapping described here, the influence of thorax shape on measured ECG values is corrected. The distances of the ECG electrodes from the electrical heart midpoint are determined using a special device for ECG recording. These distances are used to correct the ECG values as if they had been measured on the surface of a sphere with a radius of 10 cm with its midpoint localized at the electrical heart midpoint. The equipotential lines of the electrical heart field are represented on the virtual surface of such a sphere. It is demonstrated that the character of a dipole field is better represented if the influence of the thorax shape is reduced. The site of the virtual reference electrode is also important for the dipole character of the representation of the electrical heart field.

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.

Estimation of Back-Surface Flaw Depth by Laminated Piezoelectric Highpolymer Film

Directory of Open Access Journals (Sweden)

Akinobu YAMAMOTO

2009-08-01

Full Text Available Piezoelectric thin films have been used to visualize back surface flaws in plates. If the plate with a surface flaw is deformed, the strain distribution appears on the other surface reflecting the location and the shape of the flaw. Such surface strain distribution can be transformed into the electric potential distribution on the piezoelectric film mounted on the plate surface. This paper deals with a NDE technique to estimate the depth of a back-surface flaw from the electric potential distribution on a laminated piezoelectric thin film. It is experimentally verified that the flaw depth can be exactly estimated by the peak height of the electric potential distribution.

Charging effects and surface potential variations of Cu-based nanowires

Energy Technology Data Exchange (ETDEWEB)

Nunes, D., E-mail: daniela.gomes@fct.unl.pt [i3N/CENIMAT, Department of Materials Science, Faculty of Science and Technology, Universidade NOVA de Lisboa, Campus de Caparica, 2829-516 Caparica (Portugal); Calmeiro, T.R.; Nandy, S.; Pinto, J.V.; Pimentel, A.; Barquinha, P. [i3N/CENIMAT, Department of Materials Science, Faculty of Science and Technology, Universidade NOVA de Lisboa, Campus de Caparica, 2829-516 Caparica (Portugal); Carvalho, P.A. [SINTEF Materials and Chemistry, PB 124 Blindern, NO-0314, Oslo (Norway); CeFEMA, Instituto Superior Técnico, Universidade de Lisboa, 1049-001, Lisboa (Portugal); Walmsley, J.C. [SINTEF Materials and Chemistry, Materials and Nanotechnology, Høgskoleringen 5, 7034 Trondheim (Norway); Fortunato, E., E-mail: emf@fct.unl.pt [i3N/CENIMAT, Department of Materials Science, Faculty of Science and Technology, Universidade NOVA de Lisboa, Campus de Caparica, 2829-516 Caparica (Portugal); Martins, R., E-mail: rm@uninova.pt [i3N/CENIMAT, Department of Materials Science, Faculty of Science and Technology, Universidade NOVA de Lisboa, Campus de Caparica, 2829-516 Caparica (Portugal)

2016-02-29

The present work reports charging effects and surface potential variations in pure copper, cuprous oxide and cupric oxide nanowires observed by electrostatic force microscopy (EFM) and Kelvin probe force microscopy (KPFM). The copper nanowires were produced by wet synthesis, oxidation into cuprous oxide nanowires was achieved through microwave irradiation and cupric oxide nanowires were obtained via furnace annealing in atmospheric conditions. Structural characterization of the nanowires was carried out by X-ray diffraction, scanning electron microscopy, transmission electron microscopy and energy dispersive X-ray spectroscopy. During the EFM experiments the electrostatic field of the positive probe charged negatively the Cu-based nanowires, which in turn polarized the SiO{sub 2} dielectric substrate. Both the probe/nanowire capacitance as well as the substrate polarization increased with the applied bias. Cu{sub 2}O and CuO nanowires behaved distinctively during the EFM measurements in accordance with their band gap energies. The work functions (WF) of the Cu-based nanowires, obtained by KPFM measurements, yielded WF{sub CuO} > WF{sub Cu} > WF{sub Cu{sub 2O}}. - Highlights: • Charge distribution study in Cu, Cu{sub 2}O and CuO nanowires through electrostatic force microscopy • Structural/surface defect role on the charge distribution along the Cu nanowires • Determination of the nanowire work functions by Kelvin probe force microscopy • Three types of nanowires give a broad idea of charge behavior on Cu based-nanowires.

Distribution of near-surface permafrost in Alaska: estimates of present and future conditions

Science.gov (United States)

Pastick, Neal J.; Jorgenson, M. Torre; Wylie, Bruce K.; Nield, Shawn J.; Johnson, Kristofer D.; Finley, Andrew O.

2015-01-01

High-latitude regions are experiencing rapid and extensive changes in ecosystem composition and function as the result of increases in average air temperature. Increasing air temperatures have led to widespread thawing and degradation of permafrost, which in turn has affected ecosystems, socioeconomics, and the carbon cycle of high latitudes. Here we overcome complex interactions among surface and subsurface conditions to map nearsurface permafrost through decision and regression tree approaches that statistically and spatially extend field observations using remotely sensed imagery, climatic data, and thematic maps of a wide range of surface and subsurface biophysical characteristics. The data fusion approach generated medium-resolution (30-m pixels) maps of near-surface (within 1 m) permafrost, active-layer thickness, and associated uncertainty estimates throughout mainland Alaska. Our calibrated models (overall test accuracy of ~85%) were used to quantify changes in permafrost distribution under varying future climate scenarios assuming no other changes in biophysical factors. Models indicate that near-surface permafrost underlies 38% of mainland Alaska and that near-surface permafrost will disappear on 16 to 24% of the landscape by the end of the 21st Century. Simulations suggest that near-surface permafrost degradation is more probable in central regions of Alaska than more northerly regions. Taken together, these results have obvious implications for potential remobilization of frozen soil carbon pools under warmer temperatures. Additionally, warmer and drier conditions may increase fire activity and severity, which may exacerbate rates of permafrost thaw and carbon remobilization relative to climate alone. The mapping of permafrost distribution across Alaska is important for land-use planning, environmental assessments, and a wide-array of geophysical studies.

Surface modification and particles size distribution control in nano-CdS/polystyrene composite film

International Nuclear Information System (INIS)

Min Zhirong; Ming Qiuzhang; Hai Chunliang; Han Minzeng

2003-01-01

Preparation of nano-CdS particles with surface thiol modification by microemulsion method and their influences on the particle size distribution in highly filled polystyrene-based composites were studied. The modified nano-CdS was characterized by X-ray photoelectron spectroscopy (XPS), light absorption and emission measurements to reveal the morphologies of the surface modifier, which are consistent with the surface molecules packing calculation. The morphologies of the surface modifier exerted a great influence not only on the optical performance of the particles themselves, but also on the size distribution of the particle in polystyrene matrix. A monolayer coverage with tightly packed thiol molecules was believed to be most effective in promoting a uniform particle size distribution and eliminating the surface defects that cause radiationless recombination. Control of the particles size distribution in polystyrene can be attained by adjusting surface coverage status of the thiol molecules based on the strong interaction between the surface modifier and the matrix

Energy distributions of neutral species ejected from well-characterized surfaces measured by means of multiphoton resonance ionization spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Ishikawa, D.; Ishigami, R.; Dhole, S.D.; Morita, K. E-mail: k-morita@mail.nucl.nagoya-u.ac.jp

2000-04-01

The energy distributions of neutral atoms ejected from the polycrystalline Cu target, the Si(1 1 1)-7x7 surface, and the Si(1 1 1)-''5 x 5''-Cu surface by 5 keV Ar{sup +} ion bombardment have been measured with very high efficiency by means of the multi-photon resonance ionization spectroscopy, in order to obtain the surface binding energies. The energy distributions for Cu from polycrystalline Cu target, Si from the Si(1 1 1)-7x7 surface, and Cu from the Si(1 1 1)-''5 x 5''-Cu surface have been found to have a peak at energies of around 3.0, 5.0 and 1.5 eV, and the function shapes of high energy tails to be proportional to E{sup -1.9}, E{sup -1.2} and E{sup -1.3}, respectively. Based on the linear collision cascade theory, the surface binding energies are determined to be 5.7, 6.0 and 2.0 eV, and the power factor m in the power law approximation to the Thomas-Fermi potential are determined to be 0.1, 0.4 and 0.3 for Cu from the Cu polycrystalline, Si from the Si(1 1 1)-7x7 surface, and Cu from the Si(1 1 1)-''5 x 5''-Cu surface, respectively. In conclusion, the results indicate that the energy distributions of ejected particles are well characterized by the linear collision cascade theory developed by Sigmund.

Distribution and Potential Toxicity of Trace Metals in the Surface Sediments of Sundarban Mangrove Ecosystem, Bangladesh

Science.gov (United States)

Kumar, A.; Ramanathan, A.; Mathukumalli, B. K. P.; Datta, D. K.

2014-12-01

The distribution, enrichment and ecotoxocity potential of Bangladesh part of Sundarban mangrove was investigated for eight trace metals (As, Cd, Cr, Cu, Fe, Mn, Pb and Zn) using sediment quality assessment indices. The average concentration of trace metals in the sediments exceeded the crustal abundance suggesting sources other than natural in origin. Additionally, the trace metals profile may be a reflection of socio-economic development in the vicinity of Sundarban which further attributes trace metals abundance to the anthropogenic inputs. Geoaccumulation index suggests moderately polluted sediment quality w.r.t. Ni and As and background concentrations for Al, Fe, Mn, Cu, Zn, Pb, Co, As and Cd. Contamination factor analysis suggested low contamination by Zn, Cr, Co and Cd, moderate by Fe, Mn, Cu and Pb while Ni and As show considerable and high contamination, respectively. Enrichment factors for Ni, Pb and As suggests high contamination from either biota or anthropogenic inputs besides natural enrichment. As per the three sediment quality guidelines, Fe, Mn, Cu, Ni, Co and As would be more of a concern with respect to ecotoxicological risk in the Sundarban mangroves. The correlation between various physiochemical variables and trace metals suggested significant role of fine grained particles (clay) in trace metal distribution whereas owing to low organic carbon content in the region the organic complexation may not be playing significant role in trace metal distribution in the Sundarban mangroves.

Modelling the potential distribution of Betula utilis in the Himalaya

Directory of Open Access Journals (Sweden)

Maria Bobrowski

2017-07-01

Full Text Available Developing sustainable adaptation pathways under climate change conditions in mountain regions requires accurate predictions of treeline shifts and future distribution ranges of treeline species. Here, we model for the first time the potential distribution of Betula utilis, a principal Himalayan treeline species, to provide a basis for the analysis of future range shifts. Our target species Betula utilis is widespread at alpine treelines in the Himalayan mountains, the distribution range extends across the Himalayan mountain range. Our objective is to model the potential distribution of B. utilis in relation to current climate conditions. We generated a dataset of 590 occurrence records and used 24 variables for ecological niche modelling. We calibrated Generalized Linear Models using the Akaike Information Criterion (AIC and evaluated model performance using threshold-independent (AUC, Area Under the Curve and threshold-dependent (TSS, True Skill Statistics characteristics as well as visual assessments of projected distribution maps. We found two temperature-related (Mean Temperature of the Wettest Quarter, Temperature Annual Range and three precipitation-related variables (Precipitation of the Coldest Quarter, Average Precipitation of March, April and May and Precipitation Seasonality to be useful for predicting the potential distribution of B. utilis. All models had high predictive power (AUC ≥ 0.98 and TSS ≥ 0.89. The projected suitable area in the Himalayan mountains varies considerably, with most extensive distribution in the western and central Himalayan region. A substantial difference between potential and real distribution in the eastern Himalaya points to decreasing competitiveness of B. utilis under more oceanic conditions in the eastern part of the mountain system. A comparison between the vegetation map of Schweinfurth (1957 and our current predictions suggests that B. utilis does not reach the upper elevational limit in

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.

Surface-potential undulation of Alq3 thin films prepared on ITO, Au, and n-Si.

Science.gov (United States)

Ozasa, Kazunari; Ito, Hiromi; Maeda, Mizuo; Hara, Masahiko

2012-01-01

The surface potential (SP) morphology on thin films of tris(8-hydroxyquinolinato) aluminum (Alq3) was investigated with Kelvin probe force microscopy. Thin Alq3 films of 100 nm were prepared on ITO/glass substrates, Au/mica substrates, and n-Si substrates. Cloud-like morphologies of the SP undulation with 200-400 nm in lateral size were observed for all three types of the substrates. New larger peaks were observed in the cloud-like morphologies when the surfaces were exposed shortly to a light, while the SP average was reduced monotonically. The nonuniform distribution of charged traps and mobility was deduced from the SP undulation morphology and its photoexposure dependences.

Effect of surface roughness and surface modification of indium tin oxide electrode on its potential response to tryptophan

International Nuclear Information System (INIS)

Khan, Md. Zaved Hossain; Nakanishi, Takuya; Kuroiwa, Shigeki; Hoshi, Yoichi; Osaka, Tetsuya

2011-01-01

Highlights: → We examine factors affecting potential response of ITO electrode to tryptophan. → Surface roughness of ITO electrode affects the stability of its rest potential. → Surface modification is effective for ITO electrode with a certain roughness. → Optimum values of work function exist for potential response of ITO to tryptophan. - Abstract: The effect of surface modification of indium tin oxide (ITO) electrode on its potential response to tryptophan was investigated for ITO substrates with different surface roughness. It was found that a small difference in surface roughness, between ∼1 and ∼2 nm of R a evaluated by atomic force microscopy, affects the rest potential of ITO electrode in the electrolyte. A slight difference in In:Sn ratio at the near surface of the ITO substrates, measured by angle-resolved X-ray photoelectron spectrometry and Auger electron spectroscopy is remarkable, and considered to relate with surface roughness. Interestingly, successive modification of the ITO surface with aminopropylsilane and disuccinimidyl suberate, of which essentiality to the potential response to indole compounds we previously reported, improved the stability of the rest potential and enabled the electrodes to respond to tryptophan in case of specimens with R a values ranging between ∼2 and ∼3 nm but not for those with R a of ∼1 nm. It was suggested that there are optimum values of effective work function of ITO for specific potential response to tryptophan, which can be obtained by the successive modification of ITO surface.

Surface Activity Distributions of Comet 67P/Churyumov-Gerasimenko Derived from VIRTIS Images

Science.gov (United States)

Fougere, Nicolas; Combi, Michael R.; Tenishev, Valeriy; Migliorini, Alessandra; Bockelee-Morvan, Dominique; Fink, Uwe; Filacchione, Gianrico; Rinaldi, Giovanna; Capaccioni, Fabrizio; Toth, Gabor; Gombosi, T. I.; Hansen, Kenneth C.; Huang, Zhenguang; Shou, Yinsi; VIRTIS Team

2017-10-01

The outgassing mechanism of comets still remains a critical question to better understand these objects. The Rosetta mission gave some insight regarding the potential activity distribution from the surface of the nucleus of comet 67P/Churyumov-Gerasimenko, Fougere et al. (2016, Astronomy & Astrophysics, Volume 588, id.A134, 11 pp and Monthly Notices of the Royal Astronomical Society, Volume 462, Issue Suppl_1, p.S156-S169) used a spherical harmonics inversion scheme with in-situ measurements from the ROSINA instrument to derive mapping of the broad distribution of potential activity at the surface of the nucleus. Marschall et al. (2016, Astronomy & Astrophysics, doi: 10.1051/0004-6361/201730849) based on the appearance of dust active areas suggested that the so-called “neck” region and regions with fractured cliffs and locally steep slopes show more activity than the rest of comet 67P’s nucleus. Using in situ ROSINA measurements from a distance makes it difficult to distinguish between these two scenarios because the fast expansion of the gas and large molecular mean free paths prevents distinguishing small outgassing features even when the spacecraft was in bound orbits within 10 km from the nucleus. In this paper, we present a similar numerical inversion approach using VIRTIS images, which should better probe the very inner coma of comet 67P and give more detailed information about the outgassing activity. Support from contracts JPL #1266314 and #1266313 from the US Rosetta Project and grant NNX14AG84G from the NASA Planetary Atmospheres Program are gratefully acknowledged.

Sensitivity of Distributions of Climate System Properties to Surface Temperature Datasets

Science.gov (United States)

Libardoni, A. G.; Forest, C. E.

2011-12-01

Predictions of climate change from models depend strongly on the representation of climate system properties emerging from the processes and feedbacks in the models. The quality of any model prediction can be evaluated by determining how well its output reproduces the observed climate system. With this evaluation, the reliability of climate projections derived from the model and provided for policy makers is assessed and quantified. In this study, surface temperature, upper-air temperature, and ocean heat content data are used to constrain the distributions of the parameters that define three climate system properties in the MIT Integrated Global Systems Model: climate sensitivity, the rate of ocean heat uptake into the deep ocean, and net anthropogenic aerosol forcing. In particular, we explore the sensitivity of the distributions to the surface temperature dataset used to estimate the likelihood of model output given the observed climate records. In total, five different reconstructions of past surface temperatures are used and the resulting parameter distribution functions differ from each other. Differences in estimates of climate sensitivity mode and mean are as great as 1 K between the datasets, with an overall range of 1.2 to 5.3 K using the 5-95 confidence intervals. Ocean effective diffusivity is poorly constrained regardless of which dataset is used. All distributions show broad distributions and only three show signs of a distribution mode. When a mode is present, they tend to be for low diffusivity values. Distributions for the net aerosol forcing show similar shapes and cluster into two groups that are shifted by approximately 0.1 watts per square meter. However, the overall spread of forcing values from the 5-95 confidence interval, -0.19 to -0.83 watts per square meter, is small compared to other uncertainties in climate forcings. Transient climate response estimates derived from these distributions range between 0.87 and 2.41 K. Similar to the

Distribution of electric potential in hydrocarbon flames

Energy Technology Data Exchange (ETDEWEB)

Fialkov, B.S.; Shcherbakov, N.D.; Plitsyn, V.T.

1978-01-01

A study was made of the distribution of electrical potential and temperatures in laminar methane and propane--butane flames when the excess air coefficient in the mixture is changed from 0 to 1.2. 7 references, 3 figures.

The measurement of potential distribution of plasma in MM-4 fusion device

International Nuclear Information System (INIS)

Tian Zhongyu; Ming Linzhou; Feng Xiaozhen; Feng Chuntang; Yi Youjun; Wang Jihai; Liu Yihua

1988-11-01

Some experimental results of the potential distribution in MM-4 fusion device are presented by measuring the floating potential of probe. The results showed that the distribution of axial potential is asymmetrical, but the radial potential is symmetrical. There are double ion potential wells in the plasma. The depth of the deepest potential well become deeper is the strength of the magnetic field and injection current are increasing. The location of the deepest well is moved towards the device center along with the increasing of injection energy. This is different from others results. The mechanism of causing this distribution in also discussed

Distribution of 137Cs in the Surface Soil of Serpong Nuclear Site

OpenAIRE

Lubis, E

2011-01-01

The distribution of 137Cs in the surface soil layer of Serpong Nuclear Site (SNS) was investigated by field sampling. The Objectives of the investigation is finding the profile of 137Cs distribution in the surface soil and the Tf value that can be used for estimation of radiation dose from livestock product-man pathways. The results indicates that the 137Cs activity in surface soil of SNS is 0.80 ± 0,29 Bq/kg, much lower than in the Antarctic. The contribution value of 137Cs from the operatio...

Bisphenol analogues in surface water and sediment from the shallow Chinese freshwater lakes: Occurrence, distribution, source apportionment, and ecological and human health risk.

Science.gov (United States)

Yan, Zhengyu; Liu, Yanhua; Yan, Kun; Wu, Shengmin; Han, Zhihua; Guo, Ruixin; Chen, Meihong; Yang, Qiulian; Zhang, Shenghu; Chen, Jianqiu

2017-10-01

Compared to Bisphenol A (BPA), current knowledge on the spatial distribution, potential sources and environmental risk assessment of other bisphenol analogues (BPs) remains limited. The occurrence, distribution and sources of seven BPs were investigated in the surface water and sediment from Taihu Lake and Luoma Lake, which are the Chinese shallow freshwater lakes. Because there are many industries and living areas around Taihu Lake, the total concentrations of ∑BPs were much higher than that in Luoma Lake, which is away from the industry-intensive areas. For the two lakes, BPA was still the dominant BPs in both surface water and sediment, followed by BPF and BPS. The spatial distribution and principal component analysis showed that BPs in Luoma Lake was relatively homogeneous and the potential sources were relatively simple than that in Taihu Lake. The spatial distribution of BPs in sediment of Taihu Lake indicated that ∑BPs positively correlated with the TOC content. For both Taihu Lake and Luoma Lake, the risk assessment at the sampling sites showed that no high risk in surface water and sediment (RQ t  < 1.0, and EEQ t  < 1.0 ng E 2 /L). Copyright © 2017 Elsevier Ltd. All rights reserved.

An accurate potential energy surface for the F + H2 → HF + H reaction by the coupled-cluster method

International Nuclear Information System (INIS)

Chen, Jun; Sun, Zhigang; Zhang, Dong H.

2015-01-01

A three dimensional potential energy surface for the F + H 2 → HF + H reaction has been computed by the spin unrestricted coupled cluster method with singles, doubles, triples, and perturbative quadruples [UCCSDT(2) Q ] using the augmented correlation-consistent polarised valence quadruple zeta basis set for the fluorine atom and the correlation-consistent polarised valence quadruple zeta basis set for the hydrogen atom. All the calculations are based on the restricted open-shell Hartree-Fock orbitals, together with the frozen core approximations, and the UCCSD(T)/complete basis set (CBS) correction term was included. The global potential energy surface was calculated by fitting the sampled ab initio points without any scaling factor for the correlation energy part using a neutral network function method. Extensive dynamics calculations have been carried out on the potential energy surface. The reaction rate constants, integral cross sections, product rotational states distribution, and forward and backward scattering as a function of collision energy of the F + HD → HF + D, F + HD → DF + H, and F + H 2 reaction, were calculated by the time-independent quantum dynamics scattering theory using the new surface. The satisfactory agreement with the reported experimental observations previously demonstrates the accuracy of the new potential energy surface

Prediction of residual stress distributions due to surface machining and welding and crack growth simulation under residual stress distribution

International Nuclear Information System (INIS)

Ihara, Ryohei; Katsuyama, JInya; Onizawa, Kunio; Hashimoto, Tadafumi; Mikami, Yoshiki; Mochizuki, Masahito

2011-01-01

Research highlights: → Residual stress distributions due to welding and machining are evaluated by XRD and FEM. → Residual stress due to machining shows higher tensile stress than welding near the surface. → Crack growth analysis is performed using calculated residual stress. → Crack growth result is affected machining rather than welding. → Machining is an important factor for crack growth. - Abstract: In nuclear power plants, stress corrosion cracking (SCC) has been observed near the weld zone of the core shroud and primary loop recirculation (PLR) pipes made of low-carbon austenitic stainless steel Type 316L. The joining process of pipes usually includes surface machining and welding. Both processes induce residual stresses, and residual stresses are thus important factors in the occurrence and propagation of SCC. In this study, the finite element method (FEM) was used to estimate residual stress distributions generated by butt welding and surface machining. The thermoelastic-plastic analysis was performed for the welding simulation, and the thermo-mechanical coupled analysis based on the Johnson-Cook material model was performed for the surface machining simulation. In addition, a crack growth analysis based on the stress intensity factor (SIF) calculation was performed using the calculated residual stress distributions that are generated by welding and surface machining. The surface machining analysis showed that tensile residual stress due to surface machining only exists approximately 0.2 mm from the machined surface, and the surface residual stress increases with cutting speed. The crack growth analysis showed that the crack depth is affected by both surface machining and welding, and the crack length is more affected by surface machining than by welding.

Surface contact potential patches and Casimir force measurements

International Nuclear Information System (INIS)

Kim, W. J.; Sushkov, A. O.; Lamoreaux, S. K.; Dalvit, D. A. R.

2010-01-01

We present calculations of contact potential surface patch effects that simplify previous treatments. It is shown that, because of the linearity of Laplace's equation, the presence of patch potentials does not affect an electrostatic calibration of a two-plate Casimir measurement apparatus. Using models that include long-range variations in the contact potential across the plate surfaces, a number of experimental observations can be reproduced and explained. For these models, numerical calculations show that if a voltage is applied between the plates which minimizes the force, a residual electrostatic force persists, and that the minimizing potential varies with distance. The residual force can be described by a fit to a simple two-parameter function involving the minimizing potential and its variation with distance. We show the origin of this residual force by use of a simple parallel capacitor model. Finally, the implications of a residual force that varies in a manner different from 1/d on the accuracy of previous Casimir measurements is discussed.

POTENTIAL DISTRIBUTION OF ORANGE JASMINE (Murraya paniculata IN MEXICO

Directory of Open Access Journals (Sweden)

José López-Collado

2013-04-01

Full Text Available Orange jasmine (OJ is a common ornamental plant used as green hedge in public and private gardens in Mexico. It also hosts Huanglongbing, a worldwide citrus disease and its vector, Diaphorina citri. For risk analysis and management purpose is important to know its geographic distribution. The potential distribution of OJ was calculated in Mexico using a deductive approach. Based on temperature and precipitation requirements, a relative suitability index was computed by combining the normalized values of both variables. The distribution was overlapped with captures of D. citri to check their spatial similarity. The results showed that the potential of occurrence is high in the Pacific and Gulf of México coastal states, including the Yucatán peninsula, and the lowest values appeared in the north-western states. The OJ distribution overlaps with Huanglongbing occurrence and coincided with captures of D. citri for most of the suitable area but D. citri captures extended beyond the optimal OJ distribution values in the northern regions of México.

Numerical Calculation of Distribution of Induced Carge Density on Planar Confined Surfaces

International Nuclear Information System (INIS)

Bolotov, V.; Druzhchenko, R.; Karazin, V.; Lominadze, J.; Kharadze, F.

2007-01-01

The calculation method of distribution of induced charge density on planar surfaces, including fractal structures of Sierpinski carpet type, is propesed. The calculation scheme is based on the fact that simply connected conducting surface of arbitrary geometry is an equipotential surface. (author)

Exact analytical modeling of magnetic vector potential in surface inset permanent magnet DC machines considering magnet segmentation

Science.gov (United States)

Jabbari, Ali

2018-01-01

Surface inset permanent magnet DC machine can be used as an alternative in automation systems due to their high efficiency and robustness. Magnet segmentation is a common technique in order to mitigate pulsating torque components in permanent magnet machines. An accurate computation of air-gap magnetic field distribution is necessary in order to calculate machine performance. An exact analytical method for magnetic vector potential calculation in surface inset permanent magnet machines considering magnet segmentation has been proposed in this paper. The analytical method is based on the resolution of Laplace and Poisson equations as well as Maxwell equation in polar coordinate by using sub-domain method. One of the main contributions of the paper is to derive an expression for the magnetic vector potential in the segmented PM region by using hyperbolic functions. The developed method is applied on the performance computation of two prototype surface inset magnet segmented motors with open circuit and on load conditions. The results of these models are validated through FEM method.

Surface potential-governed cellular osteogenic differentiation on ferroelectric polyvinylidene fluoride trifluoroethylene films.

Science.gov (United States)

Tang, Bolin; Zhang, Bo; Zhuang, Junjun; Wang, Qi; Dong, Lingqing; Cheng, Kui; Weng, Wenjian

2018-05-02

Surface potential of biomaterials can dramatically influence cellular osteogenic differentiation. In this work, a wide range of surface potential on ferroelectric polyvinylidene fluoride trifluoroethylene (P(VDF-TrFE)) films was designed to get insight into the interfacial interaction of cell-charged surface. The P(VDF-TrFE) films poled by contact electric poling at various electric fields obtained well stabilized surface potential, with wide range from -3 to 915 mV. The osteogenic differentiation level of cells cultured on the films was strongly dependent on surface potential and reached the optimum at 391 mV in this system. Binding specificity assay indicated that surface potential could effectively govern the binding state of the adsorbed fibronectin (FN) with integrin. Molecular dynamic (MD) simulation further revealed that surface potential brought a significant difference in the relative distance between RGD and synergy PHSRN sites of adsorbed FN, resulting in a distinct integrin-FN binding state. These results suggest that the full binding of integrin α5β1 with both RGD and PHSRN sites of FN possesses a strong ability to activate osteogenic signaling pathway. This work sheds light on the underlying mechanism of osteogenic differentiation behavior on charged material surfaces, and also provides a guidance for designing a reasonable charged surface to enhance osteogenic differentiation. The ferroelectric P(VDF-TrFE) films with steady and a wide range of surface potential were designed to understand underlying mechanism of cell-charged surface interaction. The results showed that the charged surface well favored upregulation of osteogenic differentiation of MC3T3-E1 cells, and more importantly, a highest level occurred on the film with a moderate surface potential. Experiments and molecular dynamics simulation demonstrated that the surface potential could govern fibronectin conformation and then the integrin-fibronectin binding. We propose that a full binding

Soil Surface Organic Layers in Alaska's Arctic Foothills: Development, Distribution and Microclimatic Feedbacks

Science.gov (United States)

Baughman, C. A.; Mann, D. H.; Verbyla, D.; Valentine, D.; Kunz, M. L.; Heiser, P. A.

2013-12-01

Accumulated organic matter at the ground surface plays an important role in arctic ecosystems. These soil surface organic layers (SSOLs) influence temperature, moisture, and chemistry in the underlying mineral soil and, on a global basis, comprise enormous stores of labile carbon. Understanding the dynamics of SSOLs is prerequisite to modeling the responses of arctic ecosystem processes to climate changes. Here, we ask three questions regarding SSOLs in the Arctic Foothills in northern Alaska: 1) What environmental factors control their spatial distribution? 2) How long do they take to form? 3) What is the relationship between SSOL thickness and mineral soil temperature through the growing season? The best topographically-controlled predictors of SSOL thickness and spatial distribution are duration of sunlight during the growing-season, upslope drainage area, slope gradient, and elevation. SSOLs begin to form within several decades following disturbance but require 500-700 years to reach equilibrium states. Once formed, mature SSOLs lower peak growing-season temperature and mean annual temperature in the underlying mineral horizon by 8° and 3° C respectively, which reduces available growing degree days within the upper mineral soil by nearly 80%. How ongoing climate change in northern Alaska will affect the region's SSOLs is an open and potentially crucial question.

[Heavy metals distribution characteristics and ecological risk evaluation in surface sediments of dammed Jinshan lake].

Science.gov (United States)

Zhou, Xiao-Hong; Liu, Long-Mei; Chen, Xi; Chen, Zhi-Gang; Zhang, Jin-Ping; Li, Yi-Min; Liu, Biao

2014-11-01

In order to reveal the pollution loading of heavy metals in Dammed Jinshan lake, six heavy metals (As, Cu, Pb, Cd, Zn, Cr) from 18 sediment samples were analyzed using ICP, and the distribution characteristics of heavy metals in the sediment were comprehensively evaluated through concentration coefficient, geo-acumulation indexes, potential ecological risk evaluation and traceability analysis. The results showed that (1) the average contents of As, Pb, Cu, Zn, Cr, Cd were 23.22, 26.20, 24.42, 143.12, 245.30 and 0.67 mg x kg(-1), respectively, in the surface sediments of dammed Jinshan Lake. The average contents of Pb and Cu were lower than the primary standard and secondary standards of soil environmental quality standards. The average contents of Zn and Cr were lower than the primary standard and higher than the secondary standards of soil environmental quality standards. The average contents of As and Cd were higher than the primary and secondary standards of soil environmental quality standards. From the spatial distribution, the contents of Pb and Zn were the highest at sampling site No. 1, which was located at the Beigushan Square. The contents of As,Cu, Cr, Cd were the highest at sampling sites Nos. 12, 3, 14, and 7, respectively; (2) The order of concentration coefficient was As > Cr > Cd > Pb > Zn > Cu, which indicated that the enrichment amount of As was the highest and that of Cu was the lowest; (3) Based on the geo-acumulation indexes, the Cu is clean and Pb, Zn, Cd is the light pollution and As, Cr moderate pollution; (4) The order of Potential ecological risk coefficient was Cd > As > Cr > Pb > Cu > Zn, Cr, Pb, Cu, Zn were of light ecological risk and As, Cd were of medium ecological risk. From the spatial distribution, the sampling sites Nos. 1, 6, 7 and 12 had medium potential ecological risk, and the rest sample points had slight potential ecological risk; (5) The principal component analysis (PCA) revealed that the main reason for the differences

Mapping current and potential distribution of non-native Prosopis juliflora in the Afar region of Ethiopia.

Science.gov (United States)

Wakie, Tewodros T; Evangelista, Paul H; Jarnevich, Catherine S; Laituri, Melinda

2014-01-01

We used correlative models with species occurrence points, Moderate Resolution Imaging Spectroradiometer (MODIS) vegetation indices, and topo-climatic predictors to map the current distribution and potential habitat of invasive Prosopis juliflora in Afar, Ethiopia. Time-series of MODIS Enhanced Vegetation Indices (EVI) and Normalized Difference Vegetation Indices (NDVI) with 250 m2 spatial resolution were selected as remote sensing predictors for mapping distributions, while WorldClim bioclimatic products and generated topographic variables from the Shuttle Radar Topography Mission product (SRTM) were used to predict potential infestations. We ran Maxent models using non-correlated variables and the 143 species- occurrence points. Maxent generated probability surfaces were converted into binary maps using the 10-percentile logistic threshold values. Performances of models were evaluated using area under the receiver-operating characteristic (ROC) curve (AUC). Our results indicate that the extent of P. juliflora invasion is approximately 3,605 km2 in the Afar region (AUC  = 0.94), while the potential habitat for future infestations is 5,024 km2 (AUC  = 0.95). Our analyses demonstrate that time-series of MODIS vegetation indices and species occurrence points can be used with Maxent modeling software to map the current distribution of P. juliflora, while topo-climatic variables are good predictors of potential habitat in Ethiopia. Our results can quantify current and future infestations, and inform management and policy decisions for containing P. juliflora. Our methods can also be replicated for managing invasive species in other East African countries.

Research on social communication network evolution based on topology potential distribution

Science.gov (United States)

Zhao, Dongjie; Jiang, Jian; Li, Deyi; Zhang, Haisu; Chen, Guisheng

2011-12-01

Aiming at the problem of social communication network evolution, first, topology potential is introduced to measure the local influence among nodes in networks. Second, from the perspective of topology potential distribution the method of network evolution description based on topology potential distribution is presented, which takes the artificial intelligence with uncertainty as basic theory and local influence among nodes as essentiality. Then, a social communication network is constructed by enron email dataset, the method presented is used to analyze the characteristic of the social communication network evolution and some useful conclusions are got, implying that the method is effective, which shows that topology potential distribution can effectively describe the characteristic of sociology and detect the local changes in social communication network.

Beyond Massive MIMO: The Potential of Positioning With Large Intelligent Surfaces

Science.gov (United States)

Hu, Sha; Rusek, Fredrik; Edfors, Ove

2018-04-01

We consider the potential for positioning with a system where antenna arrays are deployed as a large intelligent surface (LIS), which is a newly proposed concept beyond massive-MIMO where future man-made structures are electronically active with integrated electronics and wireless communication making the entire environment \\lq\\lq{}intelligent\\rq\\rq{}. In a first step, we derive Fisher-information and Cram\\'{e}r-Rao lower bounds (CRLBs) in closed-form for positioning a terminal located perpendicular to the center of the LIS, whose location we refer to as being on the central perpendicular line (CPL) of the LIS. For a terminal that is not on the CPL, closed-form expressions of the Fisher-information and CRLB seem out of reach, and we alternatively find approximations of them which are shown to be accurate. Under mild conditions, we show that the CRLB for all three Cartesian dimensions ($x$, $y$ and $z$) decreases quadratically in the surface-area of the LIS, except for a terminal exactly on the CPL where the CRLB for the $z$-dimension (distance from the LIS) decreases linearly in the same. In a second step, we analyze the CRLB for positioning when there is an unknown phase $\\varphi$ presented in the analog circuits of the LIS. We then show that the CRLBs are dramatically increased for all three dimensions but decrease in the third-order of the surface-area. Moreover, with an infinitely large LIS the CRLB for the $z$-dimension with an unknown $\\varphi$ is 6 dB higher than the case without phase uncertainty, and the CRLB for estimating $\\varphi$ converges to a constant that is independent of the wavelength $\\lambda$. At last, we extensively discuss the impact of centralized and distributed deployments of LIS, and show that a distributed deployment of LIS can enlarge the coverage for terminal-positioning and improve the overall positioning performance.

Single-mode surface plasmon distributed feedback lasers.

Science.gov (United States)

Karami Keshmarzi, Elham; Tait, R Niall; Berini, Pierre

2018-03-29

Single-mode surface plasmon distributed feedback (DFB) lasers are realized in the near infrared using a two-dimensional non-uniform long-range surface plasmon polariton structure. The surface plasmon mode is excited onto a 20 nm-thick, 1 μm-wide metal stripe (Ag or Au) on a silica substrate, where the stripe is stepped in width periodically, forming a 1st order Bragg grating. Optical gain is provided by optically pumping a 450 nm-thick IR-140 doped PMMA layer as the top cladding, which covers the entire length of the Bragg grating, thus creating a DFB laser. Single-mode lasing peaks of very narrow linewidth were observed for Ag and Au DFBs near 882 nm at room temperature. The narrow linewidths are explained by the low spontaneous emission rate into the surface plasmon lasing mode as well as the high quality factor of the DFB structure. The lasing emission is exclusively TM polarized. Kinks in light-light curves accompanied by spectrum narrowing were observed, from which threshold pump power densities can be clearly identified (0.78 MW cm-2 and 1.04 MW cm-2 for Ag and Au DFB lasers, respectively). The Schawlow-Townes linewidth for our Ag and Au DFB lasers is estimated and very narrow linewidths are predicted for the lasers. The lasers are suitable as inexpensive, recyclable and highly coherent sources of surface plasmons, or for integration with other surface plasmon elements of similar structure.

Potential energy surfaces for nucleon exchanging in dinuclear systems

International Nuclear Information System (INIS)

Li Jianfeng; Xu Hushan; Li Wenfei; Zuo Wei; Li Junqing; Wang Nan; Zhao Enguang

2003-01-01

The experimental measurements have provided the evidence that the suppression of fusion cross-section caused by quasi-fission is very important for the synthesis of super-heavy nuclei by heavy ion collisions. The potential energy surface due to the nucleon transfer in the collision process is the driven potential, which governs the nucleon transfer, so that governs the competition between the fusion and quasi-fission. The dinuclear system potential energy surface also gives the information about the optimum projectile-target combination, as well as the optimum excitation energy for the synthesis of super-heavy nuclei by heavy ion collisions

Parametric distribution approach for flow availability in small hydro potential analysis

Science.gov (United States)

Abdullah, Samizee; Basri, Mohd Juhari Mat; Jamaluddin, Zahrul Zamri; Azrulhisham, Engku Ahmad; Othman, Jamel

2016-10-01

Small hydro system is one of the important sources of renewable energy and it has been recognized worldwide as clean energy sources. Small hydropower generation system uses the potential energy in flowing water to produce electricity is often questionable due to inconsistent and intermittent of power generated. Potential analysis of small hydro system which is mainly dependent on the availability of water requires the knowledge of water flow or stream flow distribution. This paper presented the possibility of applying Pearson system for stream flow availability distribution approximation in the small hydro system. By considering the stochastic nature of stream flow, the Pearson parametric distribution approximation was computed based on the significant characteristic of Pearson system applying direct correlation between the first four statistical moments of the distribution. The advantage of applying various statistical moments in small hydro potential analysis will have the ability to analyze the variation shapes of stream flow distribution.

Distribution of technetium-99 in surface soils

International Nuclear Information System (INIS)

Tagami, Keiko; Uchida, Shigeo

2000-01-01

Technetium-99 ( 99 Tc) is an important fission product which has been widely distributed in the environment as a result of fallout from nuclear weapons testing. In order to improve our understanding of the behavior of 99 Tc in the environment, it is essential that we obtain more reliable information on the levels, distribution and fate of 99 Tc in the environment. In this study, the concentration of global fallout 99 Tc, in several surface soil samples (0 - 20 cm) collected in Japan, were determined by ICP-MS (inductively coupled plasma mass spectroscopy). The range of 99 Tc in rice paddy field, upland field and other soils determined in this study were 0.006 - 0.11, 0.004 - 0.008 and 0.007 - 0.02 Bq kg -1 dry, respectively. 137 Cs was used as a comparative indicator for the source of 99 Tc, because the fission yields from 235 U and 239 Pu were about the same (ca. 6%) for the two isotopes, and the behavior and distribution of 137 Cs in the environment is reasonably well understood. The 137 Cs contents in rice paddy field, upland field and other soils range between 1.7 - 28, 1.4 - 9.2 and -1 dry, respectively. The activity ratios of 99 Tc/ 137 Cs in all soil samples were (0.6 - 5.9) x 10 -3 . Most of the measured ratios were one order of magnitude higher than the theoretical one obtained from fission. However, this ratio in soil, presumably depends on not only both the characteristic of radionuclides and the soil, but also on their contents after deposition to the earth's surface. (author)

An accurate potential energy surface for the F + H{sub 2} → HF + H reaction by the coupled-cluster method

Energy Technology Data Exchange (ETDEWEB)

Chen, Jun; Sun, Zhigang, E-mail: zsun@dicp.ac.cn, E-mail: zhangdh@dicp.ac.cn; Zhang, Dong H., E-mail: zsun@dicp.ac.cn, E-mail: zhangdh@dicp.ac.cn [State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China)

2015-01-14

A three dimensional potential energy surface for the F + H{sub 2} → HF + H reaction has been computed by the spin unrestricted coupled cluster method with singles, doubles, triples, and perturbative quadruples [UCCSDT(2){sub Q}] using the augmented correlation-consistent polarised valence quadruple zeta basis set for the fluorine atom and the correlation-consistent polarised valence quadruple zeta basis set for the hydrogen atom. All the calculations are based on the restricted open-shell Hartree-Fock orbitals, together with the frozen core approximations, and the UCCSD(T)/complete basis set (CBS) correction term was included. The global potential energy surface was calculated by fitting the sampled ab initio points without any scaling factor for the correlation energy part using a neutral network function method. Extensive dynamics calculations have been carried out on the potential energy surface. The reaction rate constants, integral cross sections, product rotational states distribution, and forward and backward scattering as a function of collision energy of the F + HD → HF + D, F + HD → DF + H, and F + H{sub 2} reaction, were calculated by the time-independent quantum dynamics scattering theory using the new surface. The satisfactory agreement with the reported experimental observations previously demonstrates the accuracy of the new potential energy surface.

Ocular surface distribution and pharmacokinetics of a novel ophthalmic 1% azithromycin formulation.

Science.gov (United States)

Akpek, Esen Karamursel; Vittitow, Jason; Verhoeven, Rozemarijn S; Brubaker, Kurt; Amar, Thierry; Powell, Kendall D; Boyer, José L; Crean, Christopher

2009-10-01

To investigate the ocular distribution of 1% azithromycin ophthalmic solution and the effect of polycarbophil-based mucoadhesive formulation on ocular tissue levels of azithromycin after single and multiple topical administrations in the rabbit eye. Rabbits were treated with either a single administration of 1% azithromycin solution with or without polycarbophil, or with multiple administrations of 1% azithromycin solution in polycarbophil. Drug concentrations were measured using LC/MS/MS. Conjunctiva, cornea, aqueous humor, and tear samples were analyzed over a period of 144 h after a single administration of azithromycin with or without polycarbophil. Eyelid, conjunctiva, cornea, aqueous humor, and tear samples were collected over a period of 288 h during and after multiple administrations of azithromycin. Azithromycin was rapidly absorbed and distributed in the ocular tissues, reaching within 5 min, concentrations of 10,539 microg/mL in tear film, 108 microg/g in conjunctiva, and 40 microg/g in the cornea. The drug demonstrated tissue-specific half-lives of 15, 63, and 67 h, respectively. Following multiple administrations, the drug gradually accumulated. The polycarbophil formulation increased the bioavailability of the drug, producing peak concentrations that were between 5- and 12-fold higher than those without polycarbophil. Azithromycin also distributed rapidly in the eyelids, reaching peak concentrations of 180 mug/g at the end of the 7-day treatment, and was eliminated with a half-life of 125 h. Six days after treatment was discontinued, eyelid levels of azithromycin were above 40 microg/g. Sustained and high concentrations were encountered with 7-day approved administration of 1% azithromycin formulation (AzaSite, Inspire Pharmaceuticals, Inc., Durham, NC) within all ocular surface tissues, particularly the lids. Many ocular surface disorders involving the tear film, eyelids, and adnexal structures are associated with chronic, low-grade bacterial

High-resolution pattern of mangrove species distribution is controlled by surface elevation

Science.gov (United States)

Leong, Rick C.; Friess, Daniel A.; Crase, Beth; Lee, Wei Kit; Webb, Edward L.

2018-03-01

Mangrove vegetation species respond to multiple environmental gradients, and an enhanced understanding of how mangrove species are distributed across these gradients will facilitate conservation and management. Many environmental gradients correlate with tidal inundation; however small-scale inundation patterns resulting from microtopographical changes are difficult to capture empirically. In contrast, surface elevation is often a suitable, measurable and cost-effective proxy for inundation. This study investigated the relationships between species distribution and surface elevation in a mangrove forest in northwest Singapore. Through high-resolution land surveying, we developed a digital elevation model (DEM) and conducted a comprehensive survey of 4380 trees with a stem diameter ≥ 5 cm. A total of 15 species were encountered, and elevation envelopes were generated for 12. Species envelopes were distributed along an elevation continuum, with most species overlapping within the continuum. Spatial autocorrelation (SAC) was present for nine of the 15 species, and when taken into account, species ordering was modified across the elevation continuum. The presence of SAC strongly reinforces the need for research to control for SAC: classical spatial description of mangrove species distribution should be revised to account for ecological factors. This study suggests that (1) surface elevation applies strong controls on species distribution and (2) most mangroves at our study site have similar physiological tolerances.

Self-Consistent Approach to Global Charge Neutrality in Electrokinetics: A Surface Potential Trap Model

Directory of Open Access Journals (Sweden)

Li Wan

2014-03-01

Full Text Available In this work, we treat the Poisson-Nernst-Planck (PNP equations as the basis for a consistent framework of the electrokinetic effects. The static limit of the PNP equations is shown to be the charge-conserving Poisson-Boltzmann (CCPB equation, with guaranteed charge neutrality within the computational domain. We propose a surface potential trap model that attributes an energy cost to the interfacial charge dissociation. In conjunction with the CCPB, the surface potential trap can cause a surface-specific adsorbed charge layer σ. By defining a chemical potential μ that arises from the charge neutrality constraint, a reformulated CCPB can be reduced to the form of the Poisson-Boltzmann equation, whose prediction of the Debye screening layer profile is in excellent agreement with that of the Poisson-Boltzmann equation when the channel width is much larger than the Debye length. However, important differences emerge when the channel width is small, so the Debye screening layers from the opposite sides of the channel overlap with each other. In particular, the theory automatically yields a variation of σ that is generally known as the “charge regulation” behavior, attendant with predictions of force variation as a function of nanoscale separation between two charged surfaces that are in good agreement with the experiments, with no adjustable or additional parameters. We give a generalized definition of the ζ potential that reflects the strength of the electrokinetic effect; its variations with the concentration of surface-specific and surface-nonspecific salt ions are shown to be in good agreement with the experiments. To delineate the behavior of the electro-osmotic (EO effect, the coupled PNP and Navier-Stokes equations are solved numerically under an applied electric field tangential to the fluid-solid interface. The EO effect is shown to exhibit an intrinsic time dependence that is noninertial in its origin. Under a step-function applied

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.

Surface characterization by energy distribution measurements of secondary electrons and of ion-induced electrons

International Nuclear Information System (INIS)

Bauer, H.E.; Seiler, H.

1988-01-01

Instruments for surface microanalysis (e.g. scanning electron or ion microprobes, emission electron or ion microscopes) use the current of emitted secondary electrons or of emitted ion-induced electrons for imaging of the analysed surface. These currents, integrating over all energies of the emitted low energy electrons, are however, not well suited to surface analytical purposes. On the contrary, the energy distribution of these electrons is extremely surface-sensitive with respect to shape, size, width, most probable energy, and cut-off energy. The energy distribution measurements were performed with a cylindrical mirror analyser and converted into N(E), if necessary. Presented are energy spectra of electrons released by electrons and argon ions of some contaminated and sputter cleaned metals, the change of the secondary electron energy distribution from oxidized aluminium to clean aluminium, and the change of the cut-off energy due to work function change of oxidized aluminium, and of a silver layer on a platinum sample. The energy distribution of the secondary electrons often shows detailed structures, probably due to low-energy Auger electrons, and is broader than the energy distribution of ion-induced electrons of the same object point. (author)

Potential geographic distribution of hantavirus reservoirs in Brazil.

Directory of Open Access Journals (Sweden)

Stefan Vilges de Oliveira

Full Text Available Hantavirus cardiopulmonary syndrome is an emerging zoonosis in Brazil. Human infections occur via inhalation of aerosolized viral particles from excreta of infected wild rodents. Necromys lasiurus and Oligoryzomys nigripes appear to be the main reservoirs of hantavirus in the Atlantic Forest and Cerrado biomes. We estimated and compared ecological niches of the two rodent species, and analyzed environmental factors influencing their occurrence, to understand the geography of hantavirus transmission. N. lasiurus showed a wide potential distribution in Brazil, in the Cerrado, Caatinga, and Atlantic Forest biomes. Highest climate suitability for O. nigripes was observed along the Brazilian Atlantic coast. Maximum temperature in the warmest months and annual precipitation were the variables that most influence the distributions of N. lasiurus and O. nigripes, respectively. Models based on occurrences of infected rodents estimated a broader area of risk for hantavirus transmission in southeastern and southern Brazil, coinciding with the distribution of human cases of hantavirus cardiopulmonary syndrome. We found no demonstrable environmental differences among occurrence sites for the rodents and for human cases of hantavirus. However, areas of northern and northeastern Brazil are also apparently suitable for the two species, without broad coincidence with human cases. Modeling of niches and distributions of rodent reservoirs indicates potential for transmission of hantavirus across virtually all of Brazil outside the Amazon Basin.

Study on the distribution of streaming potential while groundwater pumping up; Chikasui no kumiage ni tomonau ryudo den`i hassei ni kansuru kento

Energy Technology Data Exchange (ETDEWEB)

Sato, H; Shima, H; Sakurai, K [OYO Corp., Tokyo (Japan)

1997-10-22

This paper describes effectiveness of water channel prospecting by means of streaming potential method. To investigate the distribution of streaming potential on the ground surface while groundwater pumping up, some laboratory experiments were performed. A system was constructed, in which fluid is flowed in an experimental cistern from its both ends and self-flowed through a strainer pipe fixed for flowing out the fluid at the center of the cistern. Streaming potential with the flowing of the fluid was observed. Positive streaming potential waveform was generated with the flowing of the fluid, and the potential increased with approaching the strainer pipe. A groundwater pumping test facility was used as a field test site. There was a positive maximal point of potential distribution at about 30 m far from the pumping well in the southeast direction. The potential gradually decreased in the eastern part from the maximal point. The potential steeply decreased in the northwest direction from the pumping well. From these experiments, it was found that the groundwater flow and underground structures can be reflected by the distribution of streaming potential, and that the present method is effective for water channel prospecting. 3 refs., 8 figs.

Mapping current and potential distribution of non-native Prosopis juliflora in the Afar region of Ethiopia.

Directory of Open Access Journals (Sweden)

Tewodros T Wakie

Full Text Available We used correlative models with species occurrence points, Moderate Resolution Imaging Spectroradiometer (MODIS vegetation indices, and topo-climatic predictors to map the current distribution and potential habitat of invasive Prosopis juliflora in Afar, Ethiopia. Time-series of MODIS Enhanced Vegetation Indices (EVI and Normalized Difference Vegetation Indices (NDVI with 250 m2 spatial resolution were selected as remote sensing predictors for mapping distributions, while WorldClim bioclimatic products and generated topographic variables from the Shuttle Radar Topography Mission product (SRTM were used to predict potential infestations. We ran Maxent models using non-correlated variables and the 143 species- occurrence points. Maxent generated probability surfaces were converted into binary maps using the 10-percentile logistic threshold values. Performances of models were evaluated using area under the receiver-operating characteristic (ROC curve (AUC. Our results indicate that the extent of P. juliflora invasion is approximately 3,605 km2 in the Afar region (AUC  = 0.94, while the potential habitat for future infestations is 5,024 km2 (AUC  = 0.95. Our analyses demonstrate that time-series of MODIS vegetation indices and species occurrence points can be used with Maxent modeling software to map the current distribution of P. juliflora, while topo-climatic variables are good predictors of potential habitat in Ethiopia. Our results can quantify current and future infestations, and inform management and policy decisions for containing P. juliflora. Our methods can also be replicated for managing invasive species in other East African countries.

Dynamic modeling method of the bolted joint with uneven distribution of joint surface pressure

Science.gov (United States)

Li, Shichao; Gao, Hongli; Liu, Qi; Liu, Bokai

2018-03-01

The dynamic characteristics of the bolted joints have a significant influence on the dynamic characteristics of the machine tool. Therefore, establishing a reasonable bolted joint dynamics model is helpful to improve the accuracy of machine tool dynamics model. Because the pressure distribution on the joint surface is uneven under the concentrated force of bolts, a dynamic modeling method based on the uneven pressure distribution of the joint surface is presented in this paper to improve the dynamic modeling accuracy of the machine tool. The analytic formulas between the normal, tangential stiffness per unit area and the surface pressure on the joint surface can be deduced based on the Hertz contact theory, and the pressure distribution on the joint surface can be obtained by the finite element software. Futhermore, the normal and tangential stiffness distribution on the joint surface can be obtained by the analytic formula and the pressure distribution on the joint surface, and assigning it into the finite element model of the joint. Qualitatively compared the theoretical mode shapes and the experimental mode shapes, as well as quantitatively compared the theoretical modal frequencies and the experimental modal frequencies. The comparison results show that the relative error between the first four-order theoretical modal frequencies and the first four-order experimental modal frequencies is 0.2% to 4.2%. Besides, the first four-order theoretical mode shapes and the first four-order experimental mode shapes are similar and one-to-one correspondence. Therefore, the validity of the theoretical model is verified. The dynamic modeling method proposed in this paper can provide a theoretical basis for the accurate dynamic modeling of the bolted joint in machine tools.

Surface behaviour of the phase-space distribution for heavy nuclei

International Nuclear Information System (INIS)

Durand, M.

1987-06-01

A part of the oscillations of the phase space distribution function is shown to be a surface effect. A series expansion for this function is given, which takes partially into account this oscillatory structure

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.

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

International Nuclear Information System (INIS)

Kimura, Kenji; Ohtsuka, Hisashi; Mannami, Michihiko

1993-01-01

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

Efficient calculation of potential distribution in two-layer earth; Niso kozo daichikei ni okeru denki tansa no tame no koritsuteki den`i keisan shuho

Energy Technology Data Exchange (ETDEWEB)

Kataoka, M; Okamoto, Y [Chiba Institute of Technology, Chiba (Japan); Endo, M; Noguchi, K [Waseda University, Tokyo (Japan); Teramachi, Y; Akabane, H [University of Industrial Technology, Kanagawa (Japan); Agu, M [Ibaraki University, Ibaraki (Japan)

1997-05-27

An efficient calculation method of potential distribution in the presence of an embedded body in multi-layer earth has been proposed by expanding the method of image with a consideration of multiple reflection between the ground surface and each underground boundary. For this method, when solving boundary integral equation with the potential of embedded body surface as only one unknown, i.e., when obtaining discretization equation, ordinary boundary element program developed for analyzing the finite closed region can be used. As an example, numerical calculation was conducted for the two-layer earth. The analysis expression of potential distribution in the case of the certain embedded body in two-layer earth has never published. Accordingly, the calculated results were compared with those by the integral equation method. As a result, it was concluded that the primary potential obtained from the present method agreed well with that obtained from the integral equation method. However, there was a disregarded difference in the secondary potential. For confirming the effectiveness, it was necessary to compare with another numerical calculation method, such as finite element method. 5 refs., 5 figs.

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...

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.

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

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...

The influence of spherical cavity surface charge distribution on the sequence of partial discharge events

International Nuclear Information System (INIS)

Illias, Hazlee A; Chen, George; Lewin, Paul L

2011-01-01

In this work, a model representing partial discharge (PD) behaviour of a spherical cavity within a homogeneous dielectric material has been developed to study the influence of cavity surface charge distribution on the electric field distribution in both the cavity and the material itself. The charge accumulation on the cavity surface after a PD event and charge movement along the cavity wall under the influence of electric field magnitude and direction has been found to affect the electric field distribution in the whole cavity and in the material. This in turn affects the likelihood of any subsequent PD activity in the cavity and the whole sequence of PD events. The model parameters influencing cavity surface charge distribution can be readily identified; they are the cavity surface conductivity, the inception field and the extinction field. Comparison of measurement and simulation results has been undertaken to validate the model.

The influence of spherical cavity surface charge distribution on the sequence of partial discharge events

Energy Technology Data Exchange (ETDEWEB)

Illias, Hazlee A [Department of Electrical Engineering, Faculty of Engineering, University of Malaya, 50603 Kuala Lumpur (Malaysia); Chen, George; Lewin, Paul L, E-mail: h.illias@um.edu.my [Tony Davies High Voltage Laboratory, School of Electronics and Computer Science, University of Southampton, Southampton, SO17 1BJ (United Kingdom)

2011-06-22

In this work, a model representing partial discharge (PD) behaviour of a spherical cavity within a homogeneous dielectric material has been developed to study the influence of cavity surface charge distribution on the electric field distribution in both the cavity and the material itself. The charge accumulation on the cavity surface after a PD event and charge movement along the cavity wall under the influence of electric field magnitude and direction has been found to affect the electric field distribution in the whole cavity and in the material. This in turn affects the likelihood of any subsequent PD activity in the cavity and the whole sequence of PD events. The model parameters influencing cavity surface charge distribution can be readily identified; they are the cavity surface conductivity, the inception field and the extinction field. Comparison of measurement and simulation results has been undertaken to validate the model.

The global distribution and dynamics of surface soil moisture

Science.gov (United States)

McColl, Kaighin A.; Alemohammad, Seyed Hamed; Akbar, Ruzbeh; Konings, Alexandra G.; Yueh, Simon; Entekhabi, Dara

2017-01-01

Surface soil moisture has a direct impact on food security, human health and ecosystem function. It also plays a key role in the climate system, and the development and persistence of extreme weather events such as droughts, floods and heatwaves. However, sparse and uneven observations have made it difficult to quantify the global distribution and dynamics of surface soil moisture. Here we introduce a metric of soil moisture memory and use a full year of global observations from NASA's Soil Moisture Active Passive mission to show that surface soil moisture--a storage believed to make up less than 0.001% of the global freshwater budget by volume, and equivalent to an, on average, 8-mm thin layer of water covering all land surfaces--plays a significant role in the water cycle. Specifically, we find that surface soil moisture retains a median 14% of precipitation falling on land after three days. Furthermore, the retained fraction of the surface soil moisture storage after three days is highest over arid regions, and in regions where drainage to groundwater storage is lowest. We conclude that lower groundwater storage in these regions is due not only to lower precipitation, but also to the complex partitioning of the water cycle by the surface soil moisture storage layer at the land surface.

Energy distribution and quantum yield for photoemission from air-contaminated gold surfaces under ultraviolet illumination close to the threshold

Science.gov (United States)

Hechenblaikner, Gerald; Ziegler, Tobias; Biswas, Indro; Seibel, Christoph; Schulze, Mathias; Brandt, Nico; Schöll, Achim; Bergner, Patrick; Reinert, Friedrich T.

2012-06-01

The kinetic energy distributions of photo-electrons emitted from gold surfaces under illumination by UV-light close to the threshold (photon energy in the order of the material work function) are measured and analyzed. Samples are prepared as chemically clean through Ar-ion sputtering and then exposed to atmosphere for variable durations before quantum yield measurements are performed after evacuation. During measurements, the bias voltage applied to the sample is varied and the resulting emission current measured. Taking the derivative of the current-voltage curve yields the energy distribution which is found to closely resemble the distribution of total energies derived by DuBridge for emission from a free electron gas. We investigate the dependence of distribution shape and width on electrode geometry and contaminant substances adsorbed from the atmosphere, in particular, to water and hydro-carbons. Emission efficiency increases initially during air exposure before diminishing to zero on a timescale of several hours, whilst subsequent annealing of the sample restores emissivity. A model fit function, in good quantitative agreement with the measured data, is introduced which accounts for the experiment-specific electrode geometry and an energy dependent transmission coefficient. The impact of large patch potential fields from contact potential drops between sample and sample holder is investigated. The total quantum yield is split into bulk and surface contributions which are tested for their sensitivity to light incidence angle and polarization. Our results are directly applicable to model parameters for the contact-free discharge system onboard the Laser Interferometer Space Antenna (LISA) Pathfinder spacecraft.

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

Sexual differentiation in the distribution potential of northern jaguars (Panthera onca)

Science.gov (United States)

Boydston, Erin E.; Lopez Gonzalez, Carlos A.

2005-01-01

We estimated the potential geographic distribution of jaguars in the southwestern United States and northwestern Mexico by modeling the jaguar ecological niche from occurrence records. We modeled separately the distribution of males and females, assuming records of females probably represented established home ranges while male records likely included dispersal movements. The predicted distribution for males was larger than that for females. Eastern Sonora appeared capable for supporting male and female jaguars with potential range expansion into southeastern Arizona. New Mexico and Chihuahua contained environmental characteristics primarily limited to the male niche and thus may be areas into which males occasionally disperse.

Surface potential driven dissolution phenomena of [0 0 0 1]-oriented ZnO nanorods grown from ZnO and Pt seed layers

Science.gov (United States)

Seo, Youngmi; Kim, Jung Hyeun

2011-06-01

Highly oriented ZnO nanorods are synthesized hydrothermally on ZnO and Pt seed layers, and they are dissolved in KOH solution. The rods grown on ZnO seed layer show uniform dissolution, but those grown on Pt seed layer are rod-selectively dissolved. The ZnO nanorods from both seed layers show the same crystalline structure through XRD and Raman spectrometer data. However, the surface potential analysis reveals big difference for ZnO and Pt seed cases. The surface potential distribution is very uniform for the ZnO seed case, but it is much fluctuated on the Pt seed case. It suggests that the rod-selective dissolution phenomena on Pt seed case are likely due to the surface energy difference.

Potential, Distribution, Ethno-Botany and Tapping Procedures of ...

African Journals Online (AJOL)

Potential, Distribution, Ethno-Botany and Tapping Procedures of Gum Producing Acacia Species in the Somali Region, Southeastern Ethiopia. ... Therefore, promotion of gum extraction in the Somali Region both for economic benefit of the community and sustainable management of the fragile ecosystem is recommended.

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

CLINICAL SURFACES - Activity-Based Computing for Distributed Multi-Display Environments in Hospitals

Science.gov (United States)

Bardram, Jakob E.; Bunde-Pedersen, Jonathan; Doryab, Afsaneh; Sørensen, Steffen

A multi-display environment (MDE) is made up of co-located and networked personal and public devices that form an integrated workspace enabling co-located group work. Traditionally, MDEs have, however, mainly been designed to support a single “smart room”, and have had little sense of the tasks and activities that the MDE is being used for. This paper presents a novel approach to support activity-based computing in distributed MDEs, where displays are physically distributed across a large building. CLINICAL SURFACES was designed for clinical work in hospitals, and enables context-sensitive retrieval and browsing of patient data on public displays. We present the design and implementation of CLINICAL SURFACES, and report from an evaluation of the system at a large hospital. The evaluation shows that using distributed public displays to support activity-based computing inside a hospital is very useful for clinical work, and that the apparent contradiction between maintaining privacy of medical data in a public display environment can be mitigated by the use of CLINICAL SURFACES.

Probability distribution for the Gaussian curvature of the zero level surface of a random function

Science.gov (United States)

Hannay, J. H.

2018-04-01

A rather natural construction for a smooth random surface in space is the level surface of value zero, or ‘nodal’ surface f(x,y,z)  =  0, of a (real) random function f; the interface between positive and negative regions of the function. A physically significant local attribute at a point of a curved surface is its Gaussian curvature (the product of its principal curvatures) because, when integrated over the surface it gives the Euler characteristic. Here the probability distribution for the Gaussian curvature at a random point on the nodal surface f  =  0 is calculated for a statistically homogeneous (‘stationary’) and isotropic zero mean Gaussian random function f. Capitalizing on the isotropy, a ‘fixer’ device for axes supplies the probability distribution directly as a multiple integral. Its evaluation yields an explicit algebraic function with a simple average. Indeed, this average Gaussian curvature has long been known. For a non-zero level surface instead of the nodal one, the probability distribution is not fully tractable, but is supplied as an integral expression.

Simulations of the azimuthal distribution of low-energy H atoms scattered off Ag(1 1 0) at grazing incidence: DFT many-body versus model pair potentials

CERN Document Server

Cafarelli, P; Benazeth, C; Nieuwjaer, N; Lorente, N

2003-01-01

We compare the azimuthal distribution of H atoms after scattering off Ag(1 1 0) obtained by molecular dynamics with different H-Ag(1 1 0) potential energy surfaces (PES) and experimental results. We use grazing incident H atoms and low energies (up to 4 keV). Density functional theory (DFT) calculations are performed for the static case of an H atom in front of an Ag(1 1 0) surface. The surface is represented by an 8-atom slab, and the H atoms form 1x1 and 2x2 supercells. The generalized gradient approximation is used. Classical trajectories are evaluated on the obtained PES, and the azimuthal distribution of the scattered atoms is calculated. Good agreement with experiment is obtained which gives us some confidence in the correct description of the system at low energies by the static DFT calculations. These results are also compared with pair-potential calculations. The accuracy of trajectories may be important for the correct evaluation of charge transfer, energy loss and straggling during ion-surface coll...

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

Distribution of 137Cs in the Surface Soil of Serpong Nuclear Site

International Nuclear Information System (INIS)

Lubis, E.

2011-01-01

The distribution of 137 Cs in the surface soil layer of Serpong Nuclear Site (SNS) was investigated by field sampling. The Objectives of the investigation is finding the profile of 137 Cs distribution in the surface soil and the T f value that can be used for estimation of radiation dose from livestock product-man pathways. The results indicates that the 137 Cs activity in surface soil of SNS is 0.80 ± 0.29 Bq/kg, much lower than in the Antarctic. The contribution value of 137 Cs from the operation of G.A. Siwabessy Reactor until now is undetectable. The T f of 137 Cs from surface soil to Panisetum Purpureum, Setaria Spha Celata and Imperata Cylindrica grasses were 0.71 ± 0.14, 0.84 ± 0.27 and 0.81 ± 0.11 respectively. The results show that value of the transfer factor of 137 Cs varies between cultivated and uncultivated soil and also with the soils with thick humus. (author)

Distribution of 137Cs In the Surface Soil of Serpong Nuclear Site

Directory of Open Access Journals (Sweden)

E. Lubis

2011-08-01

Full Text Available The distribution of 137Cs in the surface soil layer of Serpong Nuclear Site (SNS was investigated by field sampling. The Objectives of the investigation is finding the profile of 137Cs distribution in the surface soil and the Tf value that can be used for estimation of radiation dose from livestock product-man pathways. The results indicates that the 137Cs activity in surface soil of SNS is 0.80 ± 0,29 Bq/kg, much lower than in the Antarctic. The contribution value of 137Cs from the operation of G.A.Siwabessy Reactor until now is undetectable. The Tf of 137Cs from surface soil to Panisetum Purpureum, Setaria Spha Celata and Imperata Cylindrica grasses were 0.71 ± 0.14, 0.84 ± 0.27 and 0.81 ± 0.11 respectively. The results show that value of the transfer factor of 137Cs varies between cultivated and uncultivated soil and also with the soils with thick humus

Reactivity of etoricoxib based on computational study of molecular orbitals, molecular electrostatic potential surface and Mulliken charge analysis

Science.gov (United States)

Sachdeva, Ritika; Soni, Abhinav; Singh, V. P.; Saini, G. S. S.

2018-05-01

Etoricoxib is one of the selective cyclooxygenase inhibitor drug which plays a significant role in the pharmacological management of arthritis and pain. The theoretical investigation of its reactivity is done using Density Functional Theory calculations. Molecular Electrostatic Potential Surface of etoricoxib and its Mulliken atomic charge distribution are used for the prediction of its electrophilic and nucleophilic sites. The detailed analysis of its frontier molecular orbitals is also done.

Effect of surface tension on the behavior of adhesive contact based on Lennard-Jones potential law

Science.gov (United States)

Zhu, Xinyao; Xu, Wei

2018-02-01

The present study explores the effect of surface tension on adhesive contact behavior where the adhesion is interpreted by long-range intermolecular forces. The adhesive contact is analyzed using the equivalent system of a rigid sphere and an elastic half space covered by a membrane with surface tension. The long-range intermolecular forces are modeled with the Lennard‒Jones (L‒J) potential law. The current adhesive contact issue can be represented by a nonlinear integral equation, which can be solved by Newton‒Raphson method. In contrast to previous studies which consider intermolecular forces as short-range, the present study reveals more details of the features of adhesive contact with surface tension, in terms of jump instabilities, pull-off forces, pressure distribution within the contact area, etc. The transition of the pull-off force is not only consistent with previous studies, but also presents some new interesting characteristics in the current situation.

An equivalent body surface charge model representing three-dimensional bioelectrical activity

Science.gov (United States)

He, B.; Chernyak, Y. B.; Cohen, R. J.

1995-01-01

A new surface-source model has been developed to account for the bioelectrical potential on the body surface. A single-layer surface-charge model on the body surface has been developed to equivalently represent bioelectrical sources inside the body. The boundary conditions on the body surface are discussed in relation to the surface-charge in a half-space conductive medium. The equivalent body surface-charge is shown to be proportional to the normal component of the electric field on the body surface just outside the body. The spatial resolution of the equivalent surface-charge distribution appears intermediate between those of the body surface potential distribution and the body surface Laplacian distribution. An analytic relationship between the equivalent surface-charge and the surface Laplacian of the potential was found for a half-space conductive medium. The effects of finite spatial sampling and noise on the reconstruction of the equivalent surface-charge were evaluated by computer simulations. It was found through computer simulations that the reconstruction of the equivalent body surface-charge from the body surface Laplacian distribution is very stable against noise and finite spatial sampling. The present results suggest that the equivalent body surface-charge model may provide an additional insight to our understanding of bioelectric phenomena.

Application of Volta potential mapping to determine metal surface defects

International Nuclear Information System (INIS)

Nazarov, A.; Thierry, D.

2007-01-01

As a rule, stress or fatigue cracks originate from various surface imperfections, such as pits, inclusions or locations showing a residual stress. It would be very helpful for material selection to be able to predict the likelihood of environment-assisted cracking or pitting corrosion. By using Scanning Kelvin Probe (the vibrating capacitor with a spatial resolution of 80 μm) the profiling of metal electron work function (Volta potential) in air is applied to the metal surfaces showing residual stress, MnS inclusions and wearing. The Volta potential is influenced by the energy of electrons at the Fermi level and drops generally across the metal/oxide/air interfaces. Inclusions (e.g. MnS) impair continuity of the passive film that locally decreases Volta potential. The stress applied gives rise to dislocations, microcracks and vacancies in the metal and the surface oxide. The defects decrease Volta and corrosion potentials; reduce the overvoltage for processes of passivity breakdown and anodic metal dissolution. These 'anodic' defects can be visualized in potential mapping that can help us to predict locations with higher risk of pitting corrosion or cracking

Surface potential measurement on contact resistance of amorphous-InGaZnO thin film transistors by Kelvin probe force microscopy

Science.gov (United States)

Han, Zhiheng; Xu, Guangwei; Wang, Wei; Lu, Congyan; Lu, Nianduan; Ji, Zhuoyu; Li, Ling; Liu, Ming

2016-07-01

Contact resistance plays an important role in amorphous InGaZnO (a-IGZO) thin film transistors (TFTs). In this paper, the surface potential distributions along the channel have been measured by using Kelvin probe force microscopy (KPFM) on operating a-IGZO TFTs, and sharp potential drops at the edges of source and drain were observed. The source and drain contact resistances can be extracted by dividing sharp potential drops with the corresponding drain to source current. It is found that the contact resistances could not be neglected compared with the whole channel resistances in the a-IGZO TFT, and the contact resistances decrease remarkably with increasing gate biased voltage. Our results suggest that the contact resistances can be controlled by tuning the gate biased voltage. Moreover, a transition from gradual channel approximation to space charge region was observed through the surface potential map directly when TFT operating from linear regime to saturation regime.

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.

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

Science.gov (United States)

de Oliveira, Maíra Maciel Mattos; Brugnera, Danilo Florisvaldo; Alves, Eduardo; Piccoli, Roberta Hilsdorf

2010-01-01

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 °C 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.

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.

Detecting surface runoff location in a small catchment using distributed and simple observation method

Science.gov (United States)

Dehotin, Judicaël; Breil, Pascal; Braud, Isabelle; de Lavenne, Alban; Lagouy, Mickaël; Sarrazin, Benoît

2015-06-01

Surface runoff is one of the hydrological processes involved in floods, pollution transfer, soil erosion and mudslide. Many models allow the simulation and the mapping of surface runoff and erosion hazards. Field observations of this hydrological process are not common although they are crucial to evaluate surface runoff models and to investigate or assess different kinds of hazards linked to this process. In this study, a simple field monitoring network is implemented to assess the relevance of a surface runoff susceptibility mapping method. The network is based on spatially distributed observations (nine different locations in the catchment) of soil water content and rainfall events. These data are analyzed to determine if surface runoff occurs. Two surface runoff mechanisms are considered: surface runoff by saturation of the soil surface horizon and surface runoff by infiltration excess (also called hortonian runoff). The monitoring strategy includes continuous records of soil surface water content and rainfall with a 5 min time step. Soil infiltration capacity time series are calculated using field soil water content and in situ measurements of soil hydraulic conductivity. Comparison of soil infiltration capacity and rainfall intensity time series allows detecting the occurrence of surface runoff by infiltration-excess. Comparison of surface soil water content with saturated water content values allows detecting the occurrence of surface runoff by saturation of the soil surface horizon. Automatic records were complemented with direct field observations of surface runoff in the experimental catchment after each significant rainfall event. The presented observation method allows the identification of fast and short-lived surface runoff processes at a small spatial and temporal resolution in natural conditions. The results also highlight the relationship between surface runoff and factors usually integrated in surface runoff mapping such as topography, rainfall

The quantic distribution of mobile carriers in a surface charge coupled device

International Nuclear Information System (INIS)

Ionescu, M.

1977-01-01

The quantic distribution of the electrons in a surface charge coupled device (CCD), for a MIS structure with a real insulator (finite difference energy between the conduction bands of the insulator and of the semiconductor) is presented. A fundamental limitation of the charge transfer in a surface CCD is obtained. (author)

Climate change and the potential distribution of an invasive shrub, Lantana camara L.

Directory of Open Access Journals (Sweden)

Subhashni Taylor

Full Text Available The threat posed by invasive species, in particular weeds, to biodiversity may be exacerbated by climate change. Lantana camara L. (lantana is a woody shrub that is highly invasive in many countries of the world. It has a profound economic and environmental impact worldwide, including Australia. Knowledge of the likely potential distribution of this invasive species under current and future climate will be useful in planning better strategies to manage the invasion. A process-oriented niche model of L. camara was developed using CLIMEX to estimate its potential distribution under current and future climate scenarios. The model was calibrated using data from several knowledge domains, including phenological observations and geographic distribution records. The potential distribution of lantana under historical climate exceeded the current distribution in some areas of the world, notably Africa and Asia. Under future scenarios, the climatically suitable areas for L. camara globally were projected to contract. However, some areas were identified in North Africa, Europe and Australia that may become climatically suitable under future climates. In South Africa and China, its potential distribution could expand further inland. These results can inform strategic planning by biosecurity agencies, identifying areas to target for eradication or containment. Distribution maps of risk of potential invasion can be useful tools in public awareness campaigns, especially in countries that have been identified as becoming climatically suitable for L. camara under the future climate scenarios.

Soil and gas and radon entry potentials for substructure surfaces

International Nuclear Information System (INIS)

Harrison, J.; Sextro, R.G.

1990-01-01

This paper reports on measurement techniques and parameters that describe the potential for areas of a building substructure to have high soil gas and radon entry rates which have been developed. Flows and pressures measured at test holes in substructure surfaces while the substructure was intentionally depressurized were used in a highly simplified electrical circuit to model the substructure/soil network. Data from four New Jersey houses indicate that the soil was a factor of two to six times more resistant to soil gas flow than substructure surfaces, concrete slab floors, including perimeter gaps, cracks, and other penetrations, were approximately five times more resistant to soil gas movement than hollow block walls, and radon entry potentials were highest for slab floors. These indices of entry potential may be useful for characterizing the relative leakiness of below-grade substructure surfaces and for determining the selection and placement of radon control systems

Using supramolecular binding motifs to provide precise control over the ratio and distribution of species in multiple component films grafted on surfaces: demonstration using electrochemical assembly from aryl diazonium salts.

Science.gov (United States)

Gui, Alicia L; Yau, Hon Man; Thomas, Donald S; Chockalingam, Muthukumar; Harper, Jason B; Gooding, J Justin

2013-04-16

Supramolecular interactions between two surface modification species are explored to control the ratio and distribution of these species on the resultant surface. A binary mixture of aryl diazonium salts bearing oppositely charged para-substituents (either -SO3(-) or -N(+)(Me)3), which also reduce at different potentials, has been examined on glassy carbon surfaces using cyclic voltammetry and X-ray photoelectron spectroscopy (XPS). Striking features were observed: (1) the two aryl diazonium salts in the mixed solution undergo reductive adsorption at the same potential which is distinctively less negative than the potential required for the reduction of either of the two aryl diazonium salts alone; (2) the surface ratio of the two phenyl derivatives is consistently 1:1 regardless of the ratio of the two aryl diazonium salts in the modification solutions. Homogeneous distribution of the two oppositely charged phenyl species on the modified surface has also been suggested by XPS survey spectra. Diffusion coefficient measurements by DOSY NMR and DFT based computation have indicated the association of the two aryl diazonium species in the solution, which has led to changes in the molecular orbital energies of the two species. This study highlights the potential of using intermolecular interactions to control the assembly of multicomponent thin layers.

Green synthesis of silver nanoparticles using Beta vulgaris: Role of process conditions on size distribution and surface structure

Energy Technology Data Exchange (ETDEWEB)

Parameshwaran, R., E-mail: parameshviews@gmail.com [Department of Mechanical Engineering, Anna University, Chennai 600 025 (India); Centre for Nanoscience and Technology, Anna University, Chennai 600 025 (India); Kalaiselvam, S., E-mail: kalai@annauniv.edu [Centre for Nanoscience and Technology, Anna University, Chennai 600 025 (India); Department of Applied Science and Technology, Anna University, Chennai 600 025 (India); Jayavel, R., E-mail: rjvel@annauniv.edu [Centre for Nanoscience and Technology, Anna University, Chennai 600 025 (India)

2013-06-15

The present work reports the green synthesis of silver nanoparticles, using Beta vulgaris peel extract with a subsequent investigation on the size distribution and surface structure of nanoparticles formed under various process conditions. The green-chemical reduction mechanism of silver ions to nanoparticles by the active organic functional groups present in the extract was characterized, using the respective spectroscopic techniques. The effects of various process parameters, including induced intraparticle ripening, were attributed to the controlled formation of anisotropic silver nanoparticles within the supporting matrix of the extract. The plasmon absorption and resonance scattering properties were expected to be favourable for small and larger size nanoparticles (below 25 nm and above 75 nm) respectively, which was considered to be an indicative aspect for synthesizing nanoparticles of narrow size distribution. The zeta potential and dynamic light scattering (DLS) results suggest the good stability and mono-dispersed size distribution of the silver nanoparticles. The transmission electron microscope, selective area electron diffraction (SAED) and X-ray diffraction studies infer that the nanoparticles formed were spherical/quasi-spherical in shape, which primarily exhibited a face centred cubic crystal (FCC) structure. The green-chemical reduction of organic phases in the extract (especially amine (NH{sub 2}) groups) as reflected through shifts observed in the Fourier-transform infra red (FTIR) peaks, reveal the possible interaction of the organic molecules with the silver ions in the effective formation, surface modification and stabilization of the silver nanoparticles. - Highlights: • Functionally stable and crystalline silver nanoparticles were green synthesized. • Beta vulgaris peel extract was used as potential reducing and stabilizing agent. • Amine groups in extract were expected to reduce Ag{sup +} and stabilize nanoparticles. • Induced

Green synthesis of silver nanoparticles using Beta vulgaris: Role of process conditions on size distribution and surface structure

International Nuclear Information System (INIS)

Parameshwaran, R.; Kalaiselvam, S.; Jayavel, R.

2013-01-01

The present work reports the green synthesis of silver nanoparticles, using Beta vulgaris peel extract with a subsequent investigation on the size distribution and surface structure of nanoparticles formed under various process conditions. The green-chemical reduction mechanism of silver ions to nanoparticles by the active organic functional groups present in the extract was characterized, using the respective spectroscopic techniques. The effects of various process parameters, including induced intraparticle ripening, were attributed to the controlled formation of anisotropic silver nanoparticles within the supporting matrix of the extract. The plasmon absorption and resonance scattering properties were expected to be favourable for small and larger size nanoparticles (below 25 nm and above 75 nm) respectively, which was considered to be an indicative aspect for synthesizing nanoparticles of narrow size distribution. The zeta potential and dynamic light scattering (DLS) results suggest the good stability and mono-dispersed size distribution of the silver nanoparticles. The transmission electron microscope, selective area electron diffraction (SAED) and X-ray diffraction studies infer that the nanoparticles formed were spherical/quasi-spherical in shape, which primarily exhibited a face centred cubic crystal (FCC) structure. The green-chemical reduction of organic phases in the extract (especially amine (NH 2 ) groups) as reflected through shifts observed in the Fourier-transform infra red (FTIR) peaks, reveal the possible interaction of the organic molecules with the silver ions in the effective formation, surface modification and stabilization of the silver nanoparticles. - Highlights: • Functionally stable and crystalline silver nanoparticles were green synthesized. • Beta vulgaris peel extract was used as potential reducing and stabilizing agent. • Amine groups in extract were expected to reduce Ag + and stabilize nanoparticles. • Induced intraparticle

Potential energy surface from spectroscopic data in the photodissociation of polyatomic molecules

International Nuclear Information System (INIS)

Kim, Hwa Joong; Kim, Young Sik

2001-01-01

The time-dependent tracking inversion method is studied to extract the potential energy surface of the electronic excited state in the photodissociation of triatomic molecules. Based on the relay of the regularized inversion procedure and time-dependent wave packet propagation, the algorithm extracts the underlying potential energy surface piece by tracking the time-dependent data, which can be synthesized from Raman excitation profiles. We have demonstrated the algorithm to extract the potential energy surface of electronic excited state for NO 2 molecule where the wave packet split on a saddle-shaped surface. Finally, we describe the merits of the time-dependent tracking inversion method compared with the time-dependent inversion method and discussed several extensions of the algorithm

Assessment of the Economic Potential of Distributed Wind in Colorado, Minnesota, and New York

Energy Technology Data Exchange (ETDEWEB)

McCabe, Kevin [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Sigrin, Benjamin O. [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Lantz, Eric J. [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Mooney, Meghan E. [National Renewable Energy Laboratory (NREL), Golden, CO (United States)

2018-01-03

This work seeks to identify current and future spatial distributions of economic potential for behind-the-meter distributed wind, serving primarily rural or suburban homes, farms, and manufacturing facilities in Colorado, Minnesota, and New York. These states were identified by technical experts based on their current favorability for distributed wind deployment. We use NREL's Distributed Wind Market Demand Model (dWind) (Lantz et al. 2017; Sigrin et al. 2016) to identify and rank counties in each of the states by their overall and per capita potential. From this baseline assessment, we also explore how and where improvements in cost, performance, and other market sensitivities affect distributed wind potential.

Occurrence, distribution and seasonal variation of organophosphate flame retardants and plasticizers in urban surface water in Beijing, China

International Nuclear Information System (INIS)

Shi, Yali; Gao, Lihong; Li, Wenhui; Wang, Yuan; Liu, Jiemin; Cai, Yaqi

2016-01-01

The occurrence, spatial distribution and seasonal variation of 14 organophosphate esters (OPEs) were investigated in urban surface water (river and lake water) from July 2013 to June 2014 in Beijing, China. Sewage influent and effluent samples, as well as rainwater and road runoff samples were also analyzed as the potential sources of OPEs in surface water. Tris(2-chloro-1-methylethyl) phosphate (TCPP) and tris(2-chloroethyl) phosphate (TCEP) were the most abundant OPEs with the average concentrations of 291 ng L"−"1 and 219 ng L"−"1, respectively. Relatively high concentrations of OPEs were detected in rivers located at southern and eastern urban of Beijing, which was probably attributed to the treated and untreated sewage discharge. Besides, higher levels of OPEs were observed in urban surface water in the summer, and the wet deposition (rainfall) was confirmed to be an important factor for this observation. Risk assessment showed low or medium risk of OPEs for the organisms (algae, crustacean and fish). - Highlights: • High levels of OPEs were detected in urban surface water of Beijing, China. • Seasonal variation revealed higher levels of OPEs in the summer. • Wastewater, rainwater and road runoff samples were analyzed as sources of OPEs. • The risks of OPEs to the organisms (algae, crustacean and fish) were assessed. - The occurrence, spatial distribution and seasonal variation of OPEs in urban surface water were investigated from densely populated big city (Beijing, China).

Climate Change Impacts on the Potential Distribution of Eogystia hippophaecolus in China.

Science.gov (United States)

Li, Xue; Ge, Xuezhen; Chen, Linghong; Zhang, Linjing; Wang, Tao; Shixiang, Zong

2018-05-28

Seabuckthorn carpenter moth, Eogystia hippophaecolus (Hua, Chou, Fang, & Chen, 1990), is the most important boring pest of sea buckthorn (Hippophae rhamnoides L.) in the northwest of China. It is responsible for the death of large areas of H. rhamnoides forest, seriously affecting the ecological environment and economic development in northwestern China. To clarify the potential distribution of E. hippophaecolus in China, the present study used the CLIMEX 4.0.0 model to project the potential distribution of the pest using historical climate data (1981-2010) and simulated future climate data (2011-2100) for China. Under historical climate condition, E. hippophaecolus would be found to be distributed mainly between 27° N - 51° N and 74° E - 134° E, with favorable and highly favorable habitats accounting for 35.2% of the total potential distribution. Under future climate conditions, E. hippophaecolus would be distributed mainly between 27° N - 53° N and 74° E - 134° E, with the possibility of moving in a northwest direction. Under these conditions, the proportion of the total area providing a favorable and highly favorable habitat may decrease to about 33%. These results will help to identify the impact of climate change on the potential distribution of E. hippophaecolus, thereby providing a theoretical basis for monitoring and early forecasting of pest outbreaks. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

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.

Eccentricity samples: Implications on the potential and the velocity distribution

Directory of Open Access Journals (Sweden)

Cubarsi R.

2017-01-01

Full Text Available Planar and vertical epicycle frequencies and local angular velocity are related to the derivatives up to the second order of the local potential and can be used to test the shape of the potential from stellar disc samples. These samples show a more complex velocity distribution than halo stars and should provide a more realistic test. We assume an axisymmetric potential allowing a mixture of independent ellipsoidal velocity distributions, of separable or Staeckel form in cylindrical or spherical coordinates. We prove that values of local constants are not consistent with a potential separable in addition in cylindrical coordinates and with a spherically symmetric potential. The simplest potential that fits the local constants is used to show that the harmonical and non-harmonical terms of the potential are equally important. The same analysis is used to estimate the local constants. Two families of nested subsamples selected for decreasing planar and vertical eccentricities are used to borne out the relation between the mean squared planar and vertical eccentricities and the velocity dispersions of the subsamples. According to the first-order epicycle model, the radial and vertical velocity components provide accurate information on the planar and vertical epicycle frequencies. However, it is impossible to account for the asymmetric drift which introduces a systematic bias in estimation of the third constant. Under a more general model, when the asymmetric drift is taken into account, the rotation velocity dispersions together with their asymmetric drift provide the correct fit for the local angular velocity. The consistency of the results shows that this new method based on the distribution of eccentricities is worth using for kinematic stellar samples. [Project of the Serbian Ministry of Education, Science and Technological Development, Grant no. No 176011: Dynamics and Kinematics of Celestial Bodies and Systems

Spatial distribution of potential and positive Aedes aegypti breeding sites

Directory of Open Access Journals (Sweden)

Daniel Elías Cuartas

2017-03-01

Conclusions: The spatial relationship between positive and potential A. aegypti breeding sites both indoors and outdoors is dynamic and highly sensitive to the characteristics of each territory. Knowing how positive and potential breeding sites are distributed contributes to the prioritization of resources and actions in vector control programs.

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

DEFF Research Database (Denmark)

Olsen, Thomas; Gavnholt, Jeppe; Schiøtz, Jakob

2009-01-01

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

Surface potential of methyl isobutyl carbinol adsorption layer at the air/water interface.

Science.gov (United States)

Phan, Chi M; Nakahara, Hiromichi; Shibata, Osamu; Moroi, Yoshikiyo; Le, Thu N; Ang, Ha M

2012-01-26

The surface potential (ΔV) and surface tension (γ) of MIBC (methyl isobutyl carbinol) were measured on the subphase of pure water and electrolyte solutions (NaCl at 0.02 and 2 M). In contrast to ionic surfactants, it was found that surface potential gradually increased with MIBC concentration. The ΔV curves were strongly influenced by the presence of NaCl. The available model in literature, in which surface potential is linearly proportional to surface excess, failed to describe the experimental data. Consequently, a new model, employing a partial charge of alcohol adsorption layer, was proposed. The new model predicted the experimental data consistently for MIBC in different NaCl solutions. However, the model required additional information for ionic impurity to predict adsorption in the absence of electrolyte. Such inclusion of impurities is, however, unnecessary for industrial applications. The modeling results successfully quantify the influence of electrolytes on surface potential of MIBC, which is critical for froth stability.

The control mechanism of surface traps on surface charge behavior in alumina-filled epoxy composites

International Nuclear Information System (INIS)

Li, Chuanyang; Hu, Jun; Lin, Chuanjie; He, Jinliang

2016-01-01

To investigate the role surface traps play in the charge injection and transfer behavior of alumina-filled epoxy composites, surface traps with different trap levels are introduced by different surface modification methods which include dielectric barrier discharges plasma, direct fluorination, and Cr 2 O 3 coating. The resulting surface physicochemical characteristics of experimental samples were observed using atomic force microscopy, scanning electron microscopy and fourier transform infrared spectroscopy. The surface potential under dc voltage was detected and the trap level distribution was measured. The results suggest that the surface morphology of the experimental samples differs dramatically after treatment with different surface modification methods. Different surface trap distributions directly determine the charge injection and transfer property along the surface. Shallow traps with trap level of 1.03–1.11 eV and 1.06–1.13 eV introduced by plasma and fluorination modifications are conducive for charge transport along the insulating surface, and the surface potential can be modified, producing a smoother potential curve. The Cr 2 O 3 coating can introduce a large number of deep traps with energy levels ranging from 1.09 to 1.15 eV. These can prevent charge injection through the reversed electric field formed by intensive trapped charges in the Cr 2 O 3 coatings. (paper)

Visualization of the distribution of surface-active block copolymers in PDMS-based coatings

DEFF Research Database (Denmark)

Noguer, A. Camós; Latipov, R.; Madsen, F. B.

2018-01-01

the distribution and release of these block copolymers from PDMS-based coatings has been previously reported. However, the distribution and behaviour of these compounds in the bulk of the PDMS coating are not fully understood. A novel fluorescent-labelled triblock PEG-b-PDMS-b-PEG copolymer was synthesized...... results in non-specific protein adsorption and wettability issues. Poly(ethylene glycol)-based surface-active block copolymers and surfactants have been added to PDMS coatings and films to impart biofouling resistance and hydrophilicity to the PDMS surface with successful results. Information regarding...

Usefulness of ventricular endocardial electric reconstruction from body surface potential maps to noninvasively localize ventricular ectopic activity in patients

Science.gov (United States)

Lai, Dakun; Sun, Jian; Li, Yigang; He, Bin

2013-06-01

As radio frequency (RF) catheter ablation becomes increasingly prevalent in the management of ventricular arrhythmia in patients, an accurate and rapid determination of the arrhythmogenic site is of important clinical interest. The aim of this study was to test the hypothesis that the inversely reconstructed ventricular endocardial current density distribution from body surface potential maps (BSPMs) can localize the regions critical for maintenance of a ventricular ectopic activity. Patients with isolated and monomorphic premature ventricular contractions (PVCs) were investigated by noninvasive BSPMs and subsequent invasive catheter mapping and ablation. Equivalent current density (CD) reconstruction (CDR) during symptomatic PVCs was obtained on the endocardial ventricular surface in six patients (four men, two women, years 23-77), and the origin of the spontaneous ectopic activity was localized at the location of the maximum CD value. Compared with the last (successful) ablation site (LAS), the mean and standard deviation of localization error of the CDR approach were 13.8 and 1.3 mm, respectively. In comparison, the distance between the LASs and the estimated locations of an equivalent single moving dipole in the heart was 25.5 ± 5.5 mm. The obtained CD distribution of activated sources extending from the catheter ablation site also showed a high consistency with the invasively recorded electroanatomical maps. The noninvasively reconstructed endocardial CD distribution is suitable to predict a region of interest containing or close to arrhythmia source, which may have the potential to guide RF catheter ablation.

The Contribution of Surface Potential to Diverse Problems in Electrostatics

International Nuclear Information System (INIS)

Horenstein, M

2015-01-01

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. (paper)

Effect of processing conditions on residual stress distributions by bead-on-plate welding after surface machining

International Nuclear Information System (INIS)

Ihara, Ryohei; Mochizuki, Masahito

2014-01-01

Residual stress is important factor for stress corrosion cracking (SCC) that has been observed near the welded zone in nuclear power plants. Especially, surface residual stress is significant for SCC initiation. In the joining processes of pipes, butt welding is conducted after surface machining. Residual stress is generated by both processes, and residual stress distribution due to surface machining is varied by the subsequent butt welding. In previous paper, authors reported that residual stress distribution generated by bead on plate welding after surface machining has a local maximum residual stress near the weld metal. The local maximum residual stress shows approximately 900 MPa that exceeds the stress threshold for SCC initiation. Therefore, for the safety improvement of nuclear power plants, a study on the local maximum residual stress is important. In this study, the effect of surface machining and welding conditions on residual stress distribution generated by welding after surface machining was investigated. Surface machining using lathe machine and bead on plate welding with tungsten inert gas (TIG) arc under various conditions were conducted for plate specimens made of SUS316L. Then, residual stress distributions were measured by X-ray diffraction method (XRD). As a result, residual stress distributions have the local maximum residual stress near the weld metal in all specimens. The values of the local maximum residual stresses are almost the same. The location of the local maximum residual stress is varied by welding condition. It could be consider that the local maximum residual stress is generated by same generation mechanism as welding residual stress in surface machined layer that has high yield stress. (author)

Measuring agglomerate size distribution and dependence of localized surface plasmon resonance absorbance on gold nanoparticle agglomerate size using analytical ultracentrifugation.

Science.gov (United States)

Zook, Justin M; Rastogi, Vinayak; Maccuspie, Robert I; Keene, Athena M; Fagan, Jeffrey

2011-10-25

Agglomeration of nanoparticles during measurements in relevant biological and environmental media is a frequent problem in nanomaterial property characterization. The primary problem is typically that any changes to the size distribution can dramatically affect the potential nanotoxicity or other size-determined properties, such as the absorbance signal in a biosensor measurement. Herein we demonstrate analytical ultracentrifugation (AUC) as a powerful method for measuring two critical characteristics of nanoparticle (NP) agglomerates in situ in biological media: the NP agglomerate size distribution, and the localized surface plasmon resonance (LSPR) absorbance spectrum of precise sizes of gold NP agglomerates. To characterize the size distribution, we present a theoretical framework for calculating the hydrodynamic diameter distribution of NP agglomerates from their sedimentation coefficient distribution. We measure sedimentation rates for monomers, dimers, and trimers, as well as for larger agglomerates with up to 600 NPs. The AUC size distributions were found generally to be broader than the size distributions estimated from dynamic light scattering and diffusion-limited colloidal aggregation theory, an alternative bulk measurement method that relies on several assumptions. In addition, the measured sedimentation coefficients can be used in nanotoxicity studies to predict how quickly the agglomerates sediment out of solution under normal gravitational forces, such as in the environment. We also calculate the absorbance spectra for monomer, dimer, trimer, and larger gold NP agglomerates up to 600 NPs, to enable a better understanding of LSPR biosensors. Finally, we validate a new method that uses these spectra to deconvolute the net absorbance spectrum of an unknown bulk sample and approximate the proportions of monomers, dimers, and trimers in a polydisperse sample of small agglomerates, so that every sample does not need to be measured by AUC. These results

Surface water assessment on the influence of space distribution on ...

African Journals Online (AJOL)

In this work, the influence of space distribution on physico-chemical parameters of refinery effluent discharge has been studied, using treated effluent water discharged from the Port Harcourt Refinery Company (PHRC) into the Ekerekana Creek in Okrika as reference. Samples were collected at surface level from the ...

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.

Characterization of the thrombogenic potential of surface oxides on stainless steel for implant purposes

International Nuclear Information System (INIS)

Shih, C.-C.; Shih, C.-M.; Su, Y.-Y.; Chang, M.-S.; Lin, S.-J.

2003-01-01

Marketed stents are manufactured from various metals and passivated with different degrees of surface oxidation. The functional surface oxides on the degree of antithrombotic potential were explored through a canine femoral extracorporeal circuit model. Related properties of these oxide films were studied by open-circuit potential, current density detected at open-circuit potential, the electrochemical impedance spectroscopy, transmission electron microscopy, Auger spectroscopy (AES), X-ray photoelectron spectroscopy (XPS), and scanning electron microscopy. Experimental evidences showed that blood clot weight after a 30-min follow-up was significantly lower for the stainless steel wire passivated with amorphous oxide (AO) compared to the wire passivated with polycrystalline oxide (PO) or commercial as-received wire coils (AS). Surface characterizations showed that a stable negative current density at open-circuit potential and a significant lower potential were found for the wire surface passivated with AO than for the surface passivated with PO. Time constant of AO is about 25 times larger than that of polycrystalline oxide. Significant difference in oxide grain sizes was found between PO and AO. Surface chemistries revealed by the AES and XPS spectra indicated the presence of a Cr- and oxygen-rich surface oxide for AO, and a Fe-rich and oxygen-lean surface oxide for PO. These remarkable characteristics of AO surface film might have a potential to provide for excellent antithrombotic characteristics for the 316L stainless steel stents

Plant-soil distribution of potentially toxic elements in response to elevated atmospheric CO2.

Science.gov (United States)

Duval, Benjamin D; Dijkstra, Paul; Natali, Susan M; Megonigal, J Patrick; Ketterer, Michael E; Drake, Bert G; Lerdau, Manuel T; Gordon, Gwyneth; Anbar, Ariel D; Hungate, Bruce A

2011-04-01

The distribution of contaminant elements within ecosystems is an environmental concern because of these elements' potential toxicity to animals and plants and their ability to hinder microbial ecosystem services. As with nutrients, contaminants are cycled within and through ecosystems. Elevated atmospheric CO2 generally increases plant productivity and alters nutrient element cycling, but whether CO2 causes similar effects on the cycling of contaminant elements is unknown. Here we show that 11 years of experimental CO2 enrichment in a sandy soil with low organic matter content causes plants to accumulate contaminants in plant biomass, with declines in the extractable contaminant element pools in surface soils. These results indicate that CO2 alters the distribution of contaminant elements in ecosystems, with plant element accumulation and declining soil availability both likely explained by the CO2 stimulation of plant biomass. Our results highlight the interdependence of element cycles and the importance of taking a broad view of the periodic table when the effects of global environmental change on ecosystem biogeochemistry are considered.

Pesticides distribution in surface waters and sediments of lotic and ...

African Journals Online (AJOL)

An investigation on the availability and distribution of Lindane (HCHs) and Total organochlorine phosphate (TOCP) in the surface waters and sediments of selected water bodies in Agbede wetlands was carried out from December, 2012 to May, 2014 in order to cover seasonal trends in both matrixes. A Gas Chromatograph ...

Maxent modelling for predicting the potential distribution of Thai Palms

DEFF Research Database (Denmark)

Tovaranonte, Jantrararuk; Barfod, Anders S.; Overgaard, Anne Blach

2011-01-01

on presence data. The aim was to identify potential hot spot areas, assess the determinants of palm distribution ranges, and provide a firmer knowledge base for future conservation actions. We focused on a relatively small number of climatic, environmental and spatial variables in order to avoid...... overprediction of species distribution ranges. The models with the best predictive power were found by calculating the area under the curve (AUC) of receiver-operating characteristic (ROC). Here, we provide examples of contrasting predicted species distribution ranges as well as a map of modeled palm diversity...

Modeling Solar-Wind Heavy-Ions' Potential Sputtering of Lunar KREEP Surface

Science.gov (United States)

Barghouty, A. F.; Meyer, F. W.; Harris, R. P.; Adams, J. H., Jr.

2012-01-01

Recent laboratory data suggest that potential sputtering may be an important weathering mechanism that can affect the composition of both the lunar surface and its tenuous exosphere; its role and implications, however, remain unclear. Using a relatively simple kinetic model, we will demonstrate that solar-wind heavy ions induced sputtering of KREEP surfaces is critical in establishing the timescale of the overall solar-wind sputtering process of the lunar surface. We will also also show that potential sputtering leads to a more pronounced and significant differentiation between depleted and enriched surface elements. We briefly discuss the impacts of enhanced sputtering on the composition of the regolith and the exosphere, as well as of solar-wind sputtering as a source of hydrogen and water on the moon.

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.

Distributed approximating functional fit of the H3 ab initio potential-energy data of Liu and Siegbahn

International Nuclear Information System (INIS)

Frishman, A.; Hoffman, D.K.; Kouri, D.J.

1997-01-01

We report a distributed approximating functional (DAF) fit of the ab initio potential-energy data of Liu [J. Chem. Phys. 58, 1925 (1973)] and Siegbahn and Liu [ibid. 68, 2457 (1978)]. The DAF-fit procedure is based on a variational principle, and is systematic and general. Only two adjustable parameters occur in the DAF leading to a fit which is both accurate (to the level inherent in the input data; RMS error of 0.2765 kcal/mol) and smooth (open-quotes well-tempered,close quotes in DAF terminology). In addition, the LSTH surface of Truhlar and Horowitz based on this same data [J. Chem. Phys. 68, 2466 (1978)] is itself approximated using only the values of the LSTH surface on the same grid coordinate points as the ab initio data, and the same DAF parameters. The purpose of this exercise is to demonstrate that the DAF delivers a well-tempered approximation to a known function that closely mimics the true potential-energy surface. As is to be expected, since there is only roundoff error present in the LSTH input data, even more significant figures of fitting accuracy are obtained. The RMS error of the DAF fit, of the LSTH surface at the input points, is 0.0274 kcal/mol, and a smooth fit, accurate to better than 1cm -1 , can be obtained using more than 287 input data points. copyright 1997 American Institute of Physics

Potential controls of isoprene in the surface ocean

Science.gov (United States)

Hackenberg, S. C.; Andrews, S. J.; Airs, R.; Arnold, S. R.; Bouman, H. A.; Brewin, R. J. W.; Chance, R. J.; Cummings, D.; Dall'Olmo, G.; Lewis, A. C.; Minaeian, J. K.; Reifel, K. M.; Small, A.; Tarran, G. A.; Tilstone, G. H.; Carpenter, L. J.

2017-04-01

Isoprene surface ocean concentrations and vertical distribution, atmospheric mixing ratios, and calculated sea-to-air fluxes spanning approximately 125° of latitude (80°N-45°S) over the Arctic and Atlantic Oceans are reported. Oceanic isoprene concentrations were associated with a number of concurrently monitored biological variables including chlorophyll a (Chl a), photoprotective pigments, integrated primary production (intPP), and cyanobacterial cell counts, with higher isoprene concentrations relative to all respective variables found at sea surface temperatures greater than 20°C. The correlation between isoprene and the sum of photoprotective carotenoids, which is reported here for the first time, was the most consistent across all cruises. Parameterizations based on linear regression analyses of these relationships perform well for Arctic and Atlantic data, producing a better fit to observations than an existing Chl a-based parameterization. Global extrapolation of isoprene surface water concentrations using satellite-derived Chl a and intPP reproduced general trends in the in situ data and absolute values within a factor of 2 between 60% and 85%, depending on the data set and algorithm used.

Distribution of local magnetic field of vortex lattice near anisotropic superconductor surface in inclined external fields

International Nuclear Information System (INIS)

Efremova, S.A.; Tsarevskij, S.L.

1997-01-01

Magnetic field distribution in a unit cell of the Abrikosov vortex lattice near the surface of monoaxial anisotropic type-ii superconductors in inclined external magnetic field has been found in the framework of London model for the cases when the symmetry axis is perpendicular and parallel to the superconductor surface interface. Distribution of local magnetic field as a function of the distance from the superconductor interface surface and external field inclination angle has been obtained. Using high-Tc superconductor Y-Ba-Cu-O by way of examples, it has been shown that the study of local magnetic field distribution function, depending on external magnetic field inclination angle towards the superconductor symmetry axis and towards the superconductor surface, can provide important data on anisotropic properties of the superconductor [ru

Development of an Urban Multilayer Radiation Scheme and Its Application to the Urban Surface Warming Potential

Science.gov (United States)

Aoyagi, Toshinori; Takahashi, Shunji

2012-02-01

To investigate how a three-dimensional structure such as an urban canyon can affect urban surface warming, we developed an urban multilayer radiation scheme. The complete consideration of multiple scattering of shortwave and longwave radiation using the radiosity method is an important feature of the present scheme. A brief description of this scheme is presented, followed by evaluations that compare its results with observations of the effective albedo and radiative temperature for urban blocks. Next, we calculate the urban surface warming potential (USWP), defined as the difference between the daily mean radiative temperature of urban surfaces (which are assumed to be black bodies), including their canyon effects and the daily mean temperature of a flat surface with the same material properties, under a radiative equilibrium state. Assuming standard material properties (albedo and emissivity of 0.4 and 0.9, respectively), we studied the sensitivity of the USWP to various aspect ratios of building heights to road widths. The results show that the temporally-averaged surface temperature of an urban area can be higher than that of a flat surface. In addition, we determined the overestimation of the effective temperature of urban surfaces induced by the overestimation of the radiation distribution to the walls when one uses a single-layer scheme for urban block arrays that have a low sky-view factor less than around 0.5.

Leptospirosis in Mexico: Epidemiology and Potential Distribution of Human Cases

Science.gov (United States)

Sánchez-Montes, Sokani; Espinosa-Martínez, Deborah V.; Ríos-Muñoz, César A.; Berzunza-Cruz, Miriam; Becker, Ingeborg

2015-01-01

Background Leptospirosis is widespread in Mexico, yet the potential distribution and risk of the disease remain unknown. Methodology/Principal Findings We analysed morbidity and mortality according to age and gender based on three sources of data reported by the Ministry of Health and the National Institute of Geography and Statics of Mexico, for the decade 2000–2010. A total of 1,547 cases were reported in 27 states, the majority of which were registered during the rainy season, and the most affected age group was 25–44 years old. Although leptospirosis has been reported as an occupational disease of males, analysis of morbidity in Mexico showed no male preference. A total number of 198 deaths were registered in 21 states, mainly in urban settings. Mortality was higher in males (61.1%) as compared to females (38.9%), and the case fatality ratio was also increased in males. The overall case fatality ratio in Mexico was elevated (12.8%), as compared to other countries. We additionally determined the potential disease distribution by examining the spatial epidemiology combined with spatial modeling using ecological niche modeling techniques. We identified regions where leptospirosis could be present and created a potential distribution map using bioclimatic variables derived from temperature and precipitation. Our data show that the distribution of the cases was more related to temperature (75%) than to precipitation variables. Ecological niche modeling showed predictive areas that were widely distributed in central and southern Mexico, excluding areas characterized by extreme climates. Conclusions/Significance In conclusion, an epidemiological surveillance of leptospirosis is recommended in Mexico, since 55.7% of the country has environmental conditions fulfilling the criteria that favor the presence of the disease. PMID:26207827

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.

Effect of attenuation correction on surface amplitude distribution of wind waves

Digital Repository Service at National Institute of Oceanography (India)

Varkey, M.J.

Some selected wave profiles recorded using a ship borne wave recorder are analysed to study the effect of attenuation correction on the distribution of the surface amplitudes. A new spectral width parameter is defined to account for wide band...

Sexual differentiation in the distribution potential of northern jaguars (Panthera onca)

Science.gov (United States)

Erin E. Boydston; Carlos A. Lopez Gonzalez

2005-01-01

We estimated the potential geographic distribution of jaguars in the southwestern United States and northwestern Mexico by modeling the jaguar ecological niche from occurrence records. We modeled separately the distributions of males and females, assuming records of females probably represented established home ranges while male records likely included dispersal...

Calibration of a distributed hydrology and land surface model using energy flux measurements

DEFF Research Database (Denmark)

Larsen, Morten Andreas Dahl; Refsgaard, Jens Christian; Jensen, Karsten H.

2016-01-01

In this study we develop and test a calibration approach on a spatially distributed groundwater-surface water catchment model (MIKE SHE) coupled to a land surface model component with particular focus on the water and energy fluxes. The model is calibrated against time series of eddy flux measure...

Duration of observation required in detecting fasciculation potentials in amyotrophic lateral sclerosis using high-density surface EMG

Directory of Open Access Journals (Sweden)

Zhou Ping

2012-10-01

Full Text Available Abstract Background High-density surface electromyography (HD-SEMG has recently emerged as a potentially useful tool in the evaluation of amyotrophic lateral sclerosis (ALS. This study addresses a practical constraint that arises when applying HD-SEMG for supporting the diagnosis of ALS; specifically, how long the surface EMG should be recorded before one can be confident that fasciculation potentials (FPs are absent in a muscle being tested. Methods HD-SEMG recordings of 29 muscles from 11 ALS patients were analyzed. We used the distribution of intervals between FPs, and estimated the observation duration needed to record from one to five FPs with a probability approaching unity. Such an approach was previously tested by Mills with a concentric needle electrode. Results We found that the duration of recording was up to 70 s in order to record a single FP with a probability approaching unity. Increasing recording time to 2 minutes, the probability of recording five FPs approached approximately 0.95. Conclusions HD-SEMG appears to be a suitable method for capturing FPs comparable to intramuscular needle EMG.

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.

Cloud Masking and Surface Temperature Distribution in the Polar Regions Using AVHRR and other Satellite Data

Science.gov (United States)

Comiso, Joey C.

1995-01-01

Surface temperature is one of the key variables associated with weather and climate. Accurate measurements of surface air temperatures are routinely made in meteorological stations around the world. Also, satellite data have been used to produce synoptic global temperature distributions. However, not much attention has been paid on temperature distributions in the polar regions. In the polar regions, the number of stations is very sparse. Because of adverse weather conditions and general inaccessibility, surface field measurements are also limited. Furthermore, accurate retrievals from satellite data in the region have been difficult to make because of persistent cloudiness and ambiguities in the discrimination of clouds from snow or ice. Surface temperature observations are required in the polar regions for air-sea-ice interaction studies, especially in the calculation of heat, salinity, and humidity fluxes. They are also useful in identifying areas of melt or meltponding within the sea ice pack and the ice sheets and in the calculation of emissivities of these surfaces. Moreover, the polar regions are unique in that they are the sites of temperature extremes, the location of which is difficult to identify without a global monitoring system. Furthermore, the regions may provide an early signal to a potential climate change because such signal is expected to be amplified in the region due to feedback effects. In cloud free areas, the thermal channels from infrared systems provide surface temperatures at relatively good accuracies. Previous capabilities include the use of the Temperature Humidity Infrared Radiometer (THIR) onboard the Nimbus-7 satellite which was launched in 1978. Current capabilities include the use of the Advance Very High Resolution Radiometer (AVHRR) aboard NOAA satellites. Together, these two systems cover a span of 16 years of thermal infrared data. Techniques for retrieving surface temperatures with these sensors in the polar regions have

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.

Distribution and Characteristics of Boulder Halos at High Latitudes on Mars: Ground Ice and Surface Processes Drive Surface Reworking

Science.gov (United States)

Levy, J. S.; Fassett, C. I.; Rader, L. X.; King, I. R.; Chaffey, P. M.; Wagoner, C. M.; Hanlon, A. E.; Watters, J. L.; Kreslavsky, M. A.; Holt, J. W.; Russell, A. T.; Dyar, M. D.

2018-02-01

Boulder halos are circular arrangements of clasts present at Martian middle to high latitudes. Boulder halos are thought to result from impacts into a boulder-poor surficial unit that is rich in ground ice and/or sediments and that is underlain by a competent substrate. In this model, boulders are excavated by impacts and remain at the surface as the crater degrades. To determine the distribution of boulder halos and to evaluate mechanisms for their formation, we searched for boulder halos over 4,188 High Resolution Imaging Science Experiment images located between 50-80° north and 50-80° south latitude. We evaluate geological and climatological parameters at halo sites. Boulder halos are about three times more common in the northern hemisphere than in the southern hemisphere (19% versus 6% of images) and have size-frequency distributions suggesting recent Amazonian formation (tens to hundreds of millions of years). In the north, boulder halo sites are characterized by abundant shallow subsurface ice and high thermal inertia. Spatial patterns of halo distribution indicate that excavation of boulders from beneath nonboulder-bearing substrates is necessary for the formation of boulder halos, but that alone is not sufficient. Rather, surface processes either promote boulder halo preservation in the north or destroy boulder halos in the south. Notably, boulder halos predate the most recent period of near-surface ice emplacement on Mars and persist at the surface atop mobile regolith. The lifetime of observed boulders at the Martian surface is greater than the lifetime of the craters that excavated them. Finally, larger minimum boulder halo sizes in the north indicate thicker icy soil layers on average throughout climate variations driven by spin/orbit changes during the last tens to hundreds of millions of years.

Communication: Fitting potential energy surfaces with fundamental invariant neural network

Energy Technology Data Exchange (ETDEWEB)

Shao, Kejie; Chen, Jun; Zhao, Zhiqiang; Zhang, Dong H., E-mail: zhangdh@dicp.ac.cn [State Key Laboratory of Molecular Reaction Dynamics and Center for Theoretical Computational Chemistry, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, People’s Republic of China and University of Chinese Academy of Sciences, Beijing 100049, People’s Republic of China. (China)

2016-08-21

A more flexible neural network (NN) method using the fundamental invariants (FIs) as the input vector is proposed in the construction of potential energy surfaces for molecular systems involving identical atoms. Mathematically, FIs finitely generate the permutation invariant polynomial (PIP) ring. In combination with NN, fundamental invariant neural network (FI-NN) can approximate any function to arbitrary accuracy. Because FI-NN minimizes the size of input permutation invariant polynomials, it can efficiently reduce the evaluation time of potential energy, in particular for polyatomic systems. In this work, we provide the FIs for all possible molecular systems up to five atoms. Potential energy surfaces for OH{sub 3} and CH{sub 4} were constructed with FI-NN, with the accuracy confirmed by full-dimensional quantum dynamic scattering and bound state calculations.

Skin denervation does not alter cortical potentials to surface concentric electrode stimulation: A comparison with laser evoked potentials and contact heat evoked potentials.

Science.gov (United States)

La Cesa, S; Di Stefano, G; Leone, C; Pepe, A; Galosi, E; Alu, F; Fasolino, A; Cruccu, G; Valeriani, M; Truini, A

2018-01-01

In the neurophysiological assessment of patients with neuropathic pain, laser evoked potentials (LEPs), contact heat evoked potentials (CHEPs) and the evoked potentials by the intraepidermal electrical stimulation via concentric needle electrode are widely agreed as nociceptive specific responses; conversely, the nociceptive specificity of evoked potentials by surface concentric electrode (SE-PREPs) is still debated. In this neurophysiological study we aimed at verifying the nociceptive specificity of SE-PREPs. We recorded LEPs, CHEPs and SE-PREPs in eleven healthy participants, before and after epidermal denervation produced by prolonged capsaicin application. We also used skin biopsy to verify the capsaicin-induced nociceptive nerve fibre loss in the epidermis. We found that whereas LEPs and CHEPs were suppressed after capsaicin-induced epidermal denervation, the surface concentric electrode stimulation of the same denervated skin area yielded unchanged SE-PREPs. The suppression of LEPs and CHEPs after nociceptive nerve fibre loss in the epidermis indicates that these techniques are selectively mediated by nociceptive system. Conversely, the lack of SE-PREP changes suggests that SE-PREPs do not provide selective information on nociceptive system function. Capsaicin-induced epidermal denervation abolishes laser evoked potentials (LEPs) and contact heat evoked potentials (CHEPs), but leaves unaffected pain-related evoked potentials by surface concentric electrode (SE-PREPs). These findings suggest that unlike LEPs and CHEPs, SE-PREPs are not selectively mediated by nociceptive system. © 2017 European Pain Federation - EFIC®.

Occurrence, distribution and risks of antibiotics in urban surface water in Beijing, China.

Science.gov (United States)

Li, Wenhui; Gao, Lihong; Shi, Yali; Liu, Jiemin; Cai, Yaqi

2015-09-01

The occurrence and distribution of 22 antibiotics, including eight fluoroquinolones, nine sulfonamides and five macrolides, were investigated in the urban surface waters in Beijing, China. A total of 360 surface water samples were collected from the main rivers and lakes in the urban area of Beijing monthly from July 2013 to June 2014 (except the frozen period). Laboratory analyses revealed that antibiotics were widely used and extensively distributed in the surface water of Beijing, and sulfonamides and fluoroquinolones were the predominant antibiotics with the average concentrations of 136 and 132 ng L(-1), respectively. A significant difference of antibiotic concentrations from different sampling sites was observed, and the southern and eastern regions of Beijing showed higher concentrations of antibiotics. Seasonal variation of the antibiotics in the urban surface water was also studied, and the highest level of antibiotics was found in November, which may be due to the low temperature and flow of the rivers during the period of cold weather. Risk assessment showed that several antibiotics might pose high ecological risks to aquatic organisms (algae and plants) in surface water, and more attention should be paid to the risk of antibiotics to the aquatic environment in Beijing.

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

Effect of the electrostatic surface potential on the oligomerization of full-length human recombinant prion protein at single-molecule level

Energy Technology Data Exchange (ETDEWEB)

Wang, Bin; Xu, Bingqian, E-mail: bxu@engr.uga.edu [Single Molecule Study Laboratory, College of Engineering and Nanoscale Science, and Engineering Center, University of Georgia, Athens, Georgia 30605 (United States); Lou, Zhichao [Single Molecule Study Laboratory, College of Engineering and Nanoscale Science, and Engineering Center, University of Georgia, Athens, Georgia 30605 (United States); College of Materials Science and Technology, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China); Zhang, Haiqian [College of Materials Science and Technology, Nanjing University of Aeronautics and Astronautics, Nanjing 210016 (China)

2016-03-21

The electrostatic surface potential (ESP) of prion oligomers has critical influences on the aggregating processes of the prion molecules. The atomic force microscopy (AFM) and structural simulation were combined to investigate the molecular basis of the full-length human recombinant prion oligomerization on mica surfaces. The high resolution non-intrusive AFM images showed that the prion oligomers formed different patterns on mica surfaces at different buffer pH values. The basic binding units for the large oligomers were determined to be prion momoners (Ms), dimers (Ds), and trimers (Ts). The forming of the D and T units happened through the binding of hydrophobic β-sheets of the M units. In contrast, the α-helices of these M, D, and T units were the binding areas for the formation of large oligomers. At pH 4.5, the binding units M, D, and T showed clear polarized ESP distributions on the surface domains, while at pH 7.0, they showed more evenly distributed ESPs. Based on the conformations of oligomers observed from AFM images, the D and T units were more abundantly on mica surface at pH 4.5 because the ESP re-distribution of M units helped to stabilize these larger oligomers. The amino acid side chains involved in the binding interfaces were stabilized by hydrogen bonds and electrostatic interactions. The detailed analysis of the charged side chains at pH 4.5 indicated that the polarized ESPs induced the aggregations among M, D, and T to form larger oligomers. Therefore, the hydrogen bonds and electrostatic interactions worked together to form the stabilized prion oligomers.

Effect of the electrostatic surface potential on the oligomerization of full-length human recombinant prion protein at single-molecule level

International Nuclear Information System (INIS)

Wang, Bin; Xu, Bingqian; Lou, Zhichao; Zhang, Haiqian

2016-01-01

The electrostatic surface potential (ESP) of prion oligomers has critical influences on the aggregating processes of the prion molecules. The atomic force microscopy (AFM) and structural simulation were combined to investigate the molecular basis of the full-length human recombinant prion oligomerization on mica surfaces. The high resolution non-intrusive AFM images showed that the prion oligomers formed different patterns on mica surfaces at different buffer pH values. The basic binding units for the large oligomers were determined to be prion momoners (Ms), dimers (Ds), and trimers (Ts). The forming of the D and T units happened through the binding of hydrophobic β-sheets of the M units. In contrast, the α-helices of these M, D, and T units were the binding areas for the formation of large oligomers. At pH 4.5, the binding units M, D, and T showed clear polarized ESP distributions on the surface domains, while at pH 7.0, they showed more evenly distributed ESPs. Based on the conformations of oligomers observed from AFM images, the D and T units were more abundantly on mica surface at pH 4.5 because the ESP re-distribution of M units helped to stabilize these larger oligomers. The amino acid side chains involved in the binding interfaces were stabilized by hydrogen bonds and electrostatic interactions. The detailed analysis of the charged side chains at pH 4.5 indicated that the polarized ESPs induced the aggregations among M, D, and T to form larger oligomers. Therefore, the hydrogen bonds and electrostatic interactions worked together to form the stabilized prion oligomers.

Effect of the electrostatic surface potential on the oligomerization of full-length human recombinant prion protein at single-molecule level

Science.gov (United States)

Wang, Bin; Lou, Zhichao; Zhang, Haiqian; Xu, Bingqian

2016-03-01

The electrostatic surface potential (ESP) of prion oligomers has critical influences on the aggregating processes of the prion molecules. The atomic force microscopy (AFM) and structural simulation were combined to investigate the molecular basis of the full-length human recombinant prion oligomerization on mica surfaces. The high resolution non-intrusive AFM images showed that the prion oligomers formed different patterns on mica surfaces at different buffer pH values. The basic binding units for the large oligomers were determined to be prion momoners (Ms), dimers (Ds), and trimers (Ts). The forming of the D and T units happened through the binding of hydrophobic β-sheets of the M units. In contrast, the α-helices of these M, D, and T units were the binding areas for the formation of large oligomers. At pH 4.5, the binding units M, D, and T showed clear polarized ESP distributions on the surface domains, while at pH 7.0, they showed more evenly distributed ESPs. Based on the conformations of oligomers observed from AFM images, the D and T units were more abundantly on mica surface at pH 4.5 because the ESP re-distribution of M units helped to stabilize these larger oligomers. The amino acid side chains involved in the binding interfaces were stabilized by hydrogen bonds and electrostatic interactions. The detailed analysis of the charged side chains at pH 4.5 indicated that the polarized ESPs induced the aggregations among M, D, and T to form larger oligomers. Therefore, the hydrogen bonds and electrostatic interactions worked together to form the stabilized prion oligomers.

N-Terminal Plasmodium vivax Merozoite Surface Protein-1, a Potential Subunit for Malaria Vivax Vaccine

Directory of Open Access Journals (Sweden)

Fernanda G. Versiani

2013-01-01

Full Text Available The human malaria is widely distributed in the Middle East, Asia, the western Pacific, and Central and South America. Plasmodium vivax started to have the attention of many researchers since it is causing diseases to millions of people and several reports of severe malaria cases have been noticed in the last few years. The lack of in vitro cultures for P. vivax represents a major delay in developing a functional malaria vaccine. One of the major candidates to antimalarial vaccine is the merozoite surface protein-1 (MSP1, which is expressed abundantly on the merozoite surface and capable of activating the host protective immunity. Studies have shown that MSP-1 possesses highly immunogenic fragments, capable of generating immune response and protection in natural infection in endemic regions. This paper shows humoral immune response to different proteins of PvMSP1 and the statement of N-terminal to be added to the list of potential candidates for malaria vivax vaccine.

Distribution of radionuclides in surface seawater obtained by an aerial radiological survey

International Nuclear Information System (INIS)

Inomata, Yayoi; Aoyama, Michio; Hirose, Katsumi; Sanada, Yukihisa; Torii, Tatsuo; Tsubono, Takaki; Tsumune, Daisuke; Yamada, Masatoshi

2014-01-01

We investigated the distribution in seawater of anthropogenic radionuclides from the Fukushima Daiichi Nuclear Power Plant (FNPP1) as preliminary attempt using a rapid aerial radiological survey performed by the U.S. Department of Energy National Nuclear Security Administration on 18 April 2011. We found strong correlations between in-situ activities of 131 I, 134 Cs, and 137 Cs measured in surface seawater samples and gamma-ray peak count rates determined by the aerial survey (correlation coefficients were 0.89 for 131 I, 0.96 for 134 Cs, and 0.92 for 137 Cs). The offshore area of high radionuclide activity extended south and southeast from the FNPP1. The maximum activities of 131 I, 134 Cs, and 137 Cs were 329, 650, and 599 Bq L -1 , respectively. The 131 I/ 137 Cs ratio in surface water of the high-activity area ranged from 0.6 to 0.7. Considering the radioactive decay of 131 I (half-life 8.02 d), we determined that the radionuclides in this area were directly released from FNPP1 to the ocean. We confirm that aerial radiological surveys can be effective for investigating the surface distribution of anthropogenic radionuclides in seawater. Our model reproduced the distribution pattern of radionuclides derived from the FNPP1, although results simulated by a regional ocean model were underestimated. (author)

Surface-deposition and distribution of the radon-decay products indoors

International Nuclear Information System (INIS)

Espinosa, G.; Tommasino, L.

2015-01-01

The exposure to radon-decay products is of great concern both in dwellings and workplaces. The model to estimate the lung dose refers to the deposition mechanisms and particle sizes. Unfortunately, most of the dose data available are based on the measurement of radon concentration and the concentration of radon decay products. These combined measurements are widely used in spite of the fact that accurate dose assessments require information on the particle deposition mechanisms and the spatial distribution of radon decay products indoors. Most of the airborne particles and/or radon decay products are deposited onto indoor surfaces, which deposition makes the radon decay products unavailable for inhalation. These deposition processes, if properly known, could be successfully exploited to reduce the exposure to radon decay products. In spite of the importance of the surface deposition of the radon decay products, both for the correct evaluation of the dose and for reducing the exposure; little or no efforts have been made to investigate these deposition processes. Recently, two parallel investigations have been carried out in Rome and at Universidad Nacional Autónoma de México (UNAM) in Mexico City respectively, which address the issue of the surface-deposited radon decay products. Even though these investigations have been carried independently, they complement one another. It is with these considerations in mind that it was decided to report both investigations in the same paper. - Highlights: • Distribution of Radon and Thoron decay indoor products. • Indoor radon measurements complexity. • Short and long term measurements of surface deposit of Radon and Thoron decay products. • Microclimate controlled conditions room. • Nuclear Tracks Detectors

Homogeneous near surface activity distribution by double energy activation for TLA

International Nuclear Information System (INIS)

Takacs, S.; Ditroi, F.; Tarkanyi, F.

2007-01-01

Thin layer activation (TLA) is a versatile tool for activating thin surface layers in order to study real-time the surface loss by wear, corrosion or erosion processes of the activated parts, without disassembling or stopping running mechanical structures or equipment. The research problem is the determination of the irradiation parameters to produce point-like or large area optimal activity-depth distribution in the sample. Different activity-depth profiles can be produced depending on the type of the investigated material and the nuclear reaction used. To produce activity that is independent of the depth up to a certain depth is desirable when the material removed from the surface by wear, corrosion or erosion can be collected completely. By applying dual energy irradiation the thickness of this quasi-constant activity layer can be increased or the deviation of the activity distribution from a constant value can be minimized. In the main, parts made of metals and alloys are suitable for direct activation, but by using secondary particle implantation the wear of other materials can also be studied in a surface range a few micrometers thick. In most practical cases activation of a point-like spot (several mm 2 ) is enough to monitor the wear, corrosion or erosion, but for special problems relatively large surfaces areas of complicated spatial geometry need to be activated uniformly. Two ways are available for fulfilling this task, (1) production of large area beam spot or scanning the beam over the surface in question from the accelerator side, or (2) a programmed 3D movement of the sample from the target side. Taking into account the large variability of tasks occurring in practice, the latter method was chosen as the routine solution in our cyclotron laboratory

Determination of Surface Potential and Electrical Double-Layer Structure at the Aqueous Electrolyte-Nanoparticle Interface

Science.gov (United States)

Brown, Matthew A.; Abbas, Zareen; Kleibert, Armin; Green, Richard G.; Goel, Alok; May, Sylvio; Squires, Todd M.

2016-01-01

The structure of the electrical double layer has been debated for well over a century, since it mediates colloidal interactions, regulates surface structure, controls reactivity, sets capacitance, and represents the central element of electrochemical supercapacitors. The surface potential of such surfaces generally exceeds the electrokinetic potential, often substantially. Traditionally, a Stern layer of nonspecifically adsorbed ions has been invoked to rationalize the difference between these two potentials; however, the inability to directly measure the surface potential of dispersed systems has rendered quantitative measurements of the Stern layer potential, and other quantities associated with the outer Helmholtz plane, impossible. Here, we use x-ray photoelectron spectroscopy from a liquid microjet to measure the absolute surface potentials of silica nanoparticles dispersed in aqueous electrolytes. We quantitatively determine the impact of specific cations (Li+ , Na+ , K+ , and Cs+ ) in chloride electrolytes on the surface potential, the location of the shear plane, and the capacitance of the Stern layer. We find that the magnitude of the surface potential increases linearly with the hydrated-cation radius. Interpreting our data using the simplest assumptions and most straightforward understanding of Gouy-Chapman-Stern theory reveals a Stern layer whose thickness corresponds to a single layer of water molecules hydrating the silica surface, plus the radius of the hydrated cation. These results subject electrical double-layer theories to direct and falsifiable tests to reveal a physically intuitive and quantitatively verified picture of the Stern layer that is consistent across multiple electrolytes and solution conditions.

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

Energy Technology Data Exchange (ETDEWEB)

Kolb, Brian [Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131 (United States); Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States); Zhao, Bin; Guo, Hua, E-mail: hguo@unm.edu [Department of Chemistry and Chemical Biology, University of New Mexico, Albuquerque, New Mexico 87131 (United States); Li, Jun [School of Chemistry and Chemical Engineering, Chongqing University, Chongqing 401331 (China); Jiang, Bin [Department of Chemical Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China)

2016-06-14

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{sub 2} → H{sub 2} + H, H + H{sub 2}O → H{sub 2} + OH, and H + CH{sub 4} → H{sub 2} + CH{sub 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.

Distribution of {sup 137}Cs in the Surface Soil of Serpong Nuclear Site

Energy Technology Data Exchange (ETDEWEB)

Lubis, E., E-mail: erlub@batan.go.id [Center for Radioactive Waste Technology, National Nuclear Energy Agency, Serpong (Indonesia)

2011-08-15

The distribution of {sup 137}Cs in the surface soil layer of Serpong Nuclear Site (SNS) was investigated by field sampling. The Objectives of the investigation is finding the profile of {sup 137}Cs distribution in the surface soil and the T{sub f} value that can be used for estimation of radiation dose from livestock product-man pathways. The results indicates that the {sup 137}Cs activity in surface soil of SNS is 0.80 {+-} 0.29 Bq/kg, much lower than in the Antarctic. The contribution value of {sup 137}Cs from the operation of G.A. Siwabessy Reactor until now is undetectable. The T{sub f} of {sup 137}Cs from surface soil to Panisetum Purpureum, Setaria Spha Celata and Imperata Cylindrica grasses were 0.71 {+-} 0.14, 0.84 {+-} 0.27 and 0.81 {+-} 0.11 respectively. The results show that value of the transfer factor of {sup 137}Cs varies between cultivated and uncultivated soil and also with the soils with thick humus. (author)

Spatial distribution of heterocyclic organic matter compounds at macropore surfaces in Bt-horizons

Science.gov (United States)

Leue, Martin; Eckhardt, Kai-Uwe; Gerke, Horst H.; Ellerbrock, Ruth H.; Leinweber, Peter

2017-04-01

The illuvial Bt-horizon of Luvisols is characterized by coatings of clay and organic matter (OM) at the surfaces of cracks, biopores and inter-aggregate spaces. The OM composition of the coatings that originate from preferential transport of suspended matter in macropores determines the physico-chemical properties of the macropore surfaces. The analysis of the spatial distribution of specific OM components such as heterocyclic N-compounds (NCOMP) and benzonitrile and naphthalene (BN+NA) could enlighten the effect of macropore coatings on the transport of colloids and reactive solutes during preferential flow and on OM turnover processes in subsoils. The objective was to characterize the mm-to-cm scale spatial distribution of NCOMP and BN+NA at intact macropore surfaces from the Bt-horizons of two Luvisols developed on loess and glacial till. In material manually separated from macropore surfaces the proportions of NCOMP and BN+NA were determined by pyrolysis-field ionization mass spectrometry (Py-FIMS). These OM compounds, likely originating from combustion residues, were found increased in crack coatings and pinhole fillings but decreased in biopore walls (worm burrows and root channels). The Py-FIMS data were correlated with signals from C=O and C=C groups and with signals from O-H groups of clay minerals as determined by Fourier transform infrared spectroscopy in diffuse reflectance mode (DRIFT). Intensive signals of C15 to C17 alkanes from long-chain alkenes as main components of diesel and diesel exhaust particulates substantiated the assumption that burning residues were prominent in the subsoil OM. The spatial distribution of NCOMP and BN+NA along the macropores was predicted by partial least squares regression (PLSR) using DRIFT mapping spectra from intact surfaces and was found closely related to the distribution of crack coatings and pinholes. The results emphasize the importance of clay coatings in the subsoil to OM sorption and stabilization

The influence of surface topography on Kelvin probe force microscopy

International Nuclear Information System (INIS)

Sadewasser, S; Leendertz, C; Streicher, F; Lux-Steiner, M Ch

2009-01-01

Long-range electrostatic forces govern the imaging mechanism in electrostatic force microscopy as well as in Kelvin probe force microscopy. To improve the analysis of such images, simulations of the electrostatic field distribution have been performed in the past using a flat surface and a cone-shaped tip. However, the electrostatic field distribution between a tip and a sample depends strongly on the surface topography, which has been neglected in previous studies. It is therefore of general importance to study the influence of sample topography features on Kelvin probe force microscopy images, which we address here by performing finite element simulations. We show how the surface potential measurement is influenced by surface steps and surface grooves, considering potential variations in the form of a potential peak and a potential step. The influence of the topography on the measurement of the surface potential is found to be rather small compared to a typical experimental resolution. Surprisingly, in the case of a coinciding topography and potential step an improvement of the potential profile due to the inclusion of the topography is observed. Finally, based on the obtained results, suggestions for the realization of KPFM measurement are given.

The Role of Water Distribution Controlled by Transmembrane Potentials in the Cytochrome c-Cardiolipin Interaction: Revealing from Surface-Enhanced Infrared Absorption Spectroscopy.

Science.gov (United States)

Zeng, Li; Wu, Lie; Liu, Li; Jiang, Xiue

2017-11-02

The interaction of cytochrome c (cyt c) with cardiolipin (CL) plays a crucial role in apoptotic functions, however, the changes of the transmembrane potential in governing the protein behavior at the membrane-water interface have not been studied due to the difficulties in simultaneously monitoring the interaction and regulating the electric field. Herein, surface-enhanced infrared absorption (SEIRA) spectroelectrochemistry is employed to study the mechanism of how the transmembrane potentials control the interaction of cyt c with CL membranes by regulating the electrode potentials of an Au film. When the transmembrane potential decreases, the water content at the interface of the membranes can be increased to slow down protein adsorption through decreasing the hydrogen-bond and hydrophobic interactions, but regulates the redox behavior of CL-bound cyt c through a possible water-facilitated proton-coupled electron transfer process. Our results suggest that the potential drop-induced restructure of the CL conformation and the hydration state could modify the structure and function of CL-bound cyt c on the lipid membrane. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Potential impacts of climatic change upon geographical distributions of birds

DEFF Research Database (Denmark)

Huntley, Brian; Collingham, Yvonne C.; Green, Rhys E.

2006-01-01

likely to decrease. Species with restricted distributions and specialized species of particular biomes are likely to suffer the greatest impacts. Migrant species are likely to suffer especially large impacts as climatic change alters both their breeding and wintering areas, as well as critical stopover......Potential climatic changes of the near future have important characteristics that differentiate them from the largest magnitude and most rapid of climatic changes of the Quaternary. These potential climatic changes are thus a cause for considerable concern in terms of their possible impacts upon...... biodiversity. Birds, in common with other terrestrial organisms, are expected to exhibit one of two general responses to climatic change: they may adapt to the changed conditions without shifting location, or they may show a spatial response, adjusting their geographical distribution in response...

Distribution of soil selenium in China is potentially controlled by deposition and volatilization?

Science.gov (United States)

Sun, Guo-Xin; Meharg, Andrew A.; Li, Gang; Chen, Zheng; Yang, Lei; Chen, Song-Can; Zhu, Yong-Guan

2016-02-01

Elucidating the environmental drivers of selenium (Se) spatial distribution in soils at a continental scale is essential to better understand it’s biogeochemical cycling to improve Se transfer into diets. Through modelling Se biogeochemistry in China we found that deposition and volatilization are key factors controlling distribution in surface soil, rather than bedrock-derived Se (balance in other terrestrial environments worldwide.

X-ray fractography by using synchrotron radiation source. Residual stress distribution just beneath fatigue fracture surface

International Nuclear Information System (INIS)

Akita, Koichi; Yoshioka, Yasuo; Suzuki, Hiroshi; Sasaki, Toshihiko

2000-01-01

The residual stress distributions just beneath the fatigue fracture surface were measured using synchrotron radiation with three different wavelengths, i.e., three different penetration depths. The residual stress distributions were estimated from three kinds of diffraction data by the following process. First, a temporary residual stress distribution in the depth direction is assumed. Theoretical 2θ-sin 2 ψ diagrams for each wavelength, where each has a different penetration depth, are calculated by the cosψ method developed by one of the authors. The sum total of the differences between the theoretical and experimental values of the diffraction angle in 2θ-sin 2 ψ diagrams is calculated. This total value is minimized by changing the assumed stress distribution by the quasi-Newton optimization method. Finally, optimized 2θ-sin 2 ψ diagrams for each penetration depth and detailed stress distribution are determined. The true surface residual stress is obtained from this stress distribution. No effect of load ratio R (= P min /P max ) on the residual stresses of the fatigue fracture surfaces in low-carbon steels was observed when the sin 2 ψ method was used for stress measurement. However, the residual stresses became higher with increasing R when these were measured by the proposed method. On the basis of this, the stress intensity factor range, ΔK, can be estimated from the residual stress on the fatigue fracture surface. (author)

Surface ozone in China: present-day distribution and long-term changes

Science.gov (United States)

Xu, X.; Lin, W.; Xu, W.

2017-12-01

Reliable knowledge of spatio-temporal variations of surface ozone is highly needed to assess the impacts of ozone on human health, ecosystem and climate. Although regional distributions and trends of surface ozone in European and North American countries have been well characterized, little is known about the variability of surface ozone in many other countries, including China, where emissions of ozone precursors have been changing rapidly in recent decades. Here we present the first comprehensive description of present-day (2013-2017) distribution and long-term changes of surface ozone in mainland China. Recent ozone measurements from China's air quality monitoring network (AQMN) are analyzed to show present-day distributions of a few ozone exposure metrics for urban environment. Long-term measurements of ozone at six background sites, a rural site and an urban are used to study the trends of ozone in background, rural and urban air, respectively. The average levels of ozone at the AQMN sites (mainly urban) are close to those found at many European and North American sites. However, ozone at most of the sites shows very large diurnal and seasonal variations so that ozone nonattainment can occur in many cities, particularly those in the North China Plain (NCP), the south of Northeast China (NEC), the Yangtze River Delta (YRD), the Pearl River Delta (PRD), and the Sichuan Basin-Chongqing region (SCB). In all these regions, particularly in the NCP, the maximum daily 8-h average (MDA8) ozone concentration can significantly exceed the national limit (75 ppb). High annual sum of ozone means over 35 ppb (SOMO35) exist mainly in the NCP, NEC and YRD, with regional averages over 4000 ppb·d. Surface ozone has significantly increased at Waliguan (a baseline site in western China) and Shangdianzi (a background site in the NCP), and decreased in winter and spring at Longfengshan (a background site in Northeast China). No clear trend can be derived from long-term measurements

Distribution, Community Composition, and Potential Metabolic Activity of Bacterioplankton in an Urbanized Mediterranean Sea Coastal Zone.

Science.gov (United States)

Richa, Kumari; Balestra, Cecilia; Piredda, Roberta; Benes, Vladimir; Borra, Marco; Passarelli, Augusto; Margiotta, Francesca; Saggiomo, Maria; Biffali, Elio; Sanges, Remo; Scanlan, David J; Casotti, Raffaella

2017-09-01

Bacterioplankton are fundamental components of marine ecosystems and influence the entire biosphere by contributing to the global biogeochemical cycles of key elements. Yet, there is a significant gap in knowledge about their diversity and specific activities, as well as environmental factors that shape their community composition and function. Here, the distribution and diversity of surface bacterioplankton along the coastline of the Gulf of Naples (GON; Italy) were investigated using flow cytometry coupled with high-throughput sequencing of the 16S rRNA gene. Heterotrophic bacteria numerically dominated the bacterioplankton and comprised mainly Alphaproteobacteria , Gammaproteobacteria , and Bacteroidetes Distinct communities occupied river-influenced, coastal, and offshore sites, as indicated by Bray-Curtis dissimilarity, distance metric (UniFrac), linear discriminant analysis effect size (LEfSe), and multivariate analyses. The heterogeneity in diversity and community composition was mainly due to salinity and changes in environmental conditions across sites, as defined by nutrient and chlorophyll a concentrations. Bacterioplankton communities were composed of a few dominant taxa and a large proportion (92%) of rare taxa (here defined as operational taxonomic units [OTUs] accounting for coastal zones is of critical importance, considering that these areas are highly productive and anthropogenically impacted. Their richness and evenness, as well as their potential activity, are very important to assess ecosystem health and functioning. Here, we investigated bacterial distribution, community composition, and potential metabolic activity in the GON, which is an ideal test site due to its heterogeneous environment characterized by a complex hydrodynamics and terrestrial inputs of varied quantities and quality. Our study demonstrates that bacterioplankton communities in this region are highly diverse and strongly regulated by a combination of different environmental

Oxygen Distribution and Potential Ammonia Oxidation in Floating, Liquid Manure Crusts

DEFF Research Database (Denmark)

Nielsen, Daniel Aagren; Nielsen, Lars Peter; Schramm, Andreas

2010-01-01

 availability. In old natural crusts total potential NH3 oxidation rates were similar to reported fluxes of NH3 from slurry without surface crust. These results indicate that old, natural surface crusts may develop into a porous matrix with high O2 availability that harbors an active population of aerobic...

The three-dimensional elemental distribution based on the surface topography by confocal 3D-XRF analysis

Energy Technology Data Exchange (ETDEWEB)

Yi, Longtao; Qin, Min; Wang, Kai; Peng, Shiqi; Sun, Tianxi; Liu, Zhiguo [Beijing Normal University, College of Nuclear Science and Technology, Beijing (China); Lin, Xue [Northwest University, School of Cultural Heritage, Xi' an (China)

2016-09-15

Confocal three-dimensional micro-X-ray fluorescence (3D-XRF) is a good surface analysis technology widely used to analyse elements and elemental distributions. However, it has rarely been applied to analyse surface topography and 3D elemental mapping in surface morphology. In this study, a surface adaptive algorithm using the progressive approximation method was designed to obtain surface topography. A series of 3D elemental mapping analyses in surface morphology were performed in laboratories to analyse painted pottery fragments from the Majiayao Culture (3300-2900 BC). To the best of our knowledge, for the first time, sample surface topography and 3D elemental mapping were simultaneously obtained. Besides, component and depth analyses were also performed using synchrotron radiation confocal 3D-XRF and tabletop confocal 3D-XRF, respectively. The depth profiles showed that the sample has a layered structure. The 3D elemental mapping showed that the red pigment, black pigment, and pottery coat contain a large amount of Fe, Mn, and Ca, respectively. From the 3D elemental mapping analyses at different depths, a 3D rendering was obtained, clearly showing the 3D distributions of the red pigment, black pigment, and pottery coat. Compared with conventional 3D scanning, this method is time-efficient for analysing 3D elemental distributions and hence especially suitable for samples with non-flat surfaces. (orig.)

The three-dimensional elemental distribution based on the surface topography by confocal 3D-XRF analysis

International Nuclear Information System (INIS)

Yi, Longtao; Qin, Min; Wang, Kai; Peng, Shiqi; Sun, Tianxi; Liu, Zhiguo; Lin, Xue

2016-01-01

Confocal three-dimensional micro-X-ray fluorescence (3D-XRF) is a good surface analysis technology widely used to analyse elements and elemental distributions. However, it has rarely been applied to analyse surface topography and 3D elemental mapping in surface morphology. In this study, a surface adaptive algorithm using the progressive approximation method was designed to obtain surface topography. A series of 3D elemental mapping analyses in surface morphology were performed in laboratories to analyse painted pottery fragments from the Majiayao Culture (3300-2900 BC). To the best of our knowledge, for the first time, sample surface topography and 3D elemental mapping were simultaneously obtained. Besides, component and depth analyses were also performed using synchrotron radiation confocal 3D-XRF and tabletop confocal 3D-XRF, respectively. The depth profiles showed that the sample has a layered structure. The 3D elemental mapping showed that the red pigment, black pigment, and pottery coat contain a large amount of Fe, Mn, and Ca, respectively. From the 3D elemental mapping analyses at different depths, a 3D rendering was obtained, clearly showing the 3D distributions of the red pigment, black pigment, and pottery coat. Compared with conventional 3D scanning, this method is time-efficient for analysing 3D elemental distributions and hence especially suitable for samples with non-flat surfaces. (orig.)

Distribution and sources of polycyclic aromatic hydrocarbons in surface sediments from the Bering Sea and western Arctic Ocean.

Science.gov (United States)

Zhao, Mengwei; Wang, Weiguo; Liu, Yanguang; Dong, Linsen; Jiao, Liping; Hu, Limin; Fan, Dejiang

2016-03-15

To analyze the distribution and sources of polycyclic aromatic hydrocarbons (PAHs) and evaluate their potential ecological risks, the concentrations of 16 PAHs were measured in 43 surface sediment samples from the Bering Sea and western Arctic Ocean. Total PAH (tPAH) concentrations ranged from 36.95 to 150.21 ng/g (dry weight). In descending order, the surface sediment tPAH concentrations were as follows: Canada Basin>northern Chukchi Sea>Chukchi Basin>southern Chukchi Sea>Aleutian Basin>Makarov Basin>Bering Sea shelf. The Bering Sea and western Arctic Ocean mainly received PAHs of pyrogenic origin due to pollution caused by the incomplete combustion of fossil fuels. The concentrations of PAHs in the sediments of the study areas did not exceed effects range low (ERL) values. Copyright © 2016 Elsevier Ltd. All rights reserved.

Analysis of Large Array Surface Myoelectric Potentials for the Low Back Muscles

National Research Council Canada - National Science Library

Reger, Steven

2001-01-01

.... The surface EMC distribution from the low back of 161 healthy and 44 acute LBP subjects were collected in three minimum stress postural positions including standing, 20 degrees of lumbar flexion...

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.

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.

Determination of Surface Potential and Electrical Double-Layer Structure at the Aqueous Electrolyte-Nanoparticle Interface

Directory of Open Access Journals (Sweden)

Matthew A. Brown

2016-01-01

Full Text Available The structure of the electrical double layer has been debated for well over a century, since it mediates colloidal interactions, regulates surface structure, controls reactivity, sets capacitance, and represents the central element of electrochemical supercapacitors. The surface potential of such surfaces generally exceeds the electrokinetic potential, often substantially. Traditionally, a Stern layer of nonspecifically adsorbed ions has been invoked to rationalize the difference between these two potentials; however, the inability to directly measure the surface potential of dispersed systems has rendered quantitative measurements of the Stern layer potential, and other quantities associated with the outer Helmholtz plane, impossible. Here, we use x-ray photoelectron spectroscopy from a liquid microjet to measure the absolute surface potentials of silica nanoparticles dispersed in aqueous electrolytes. We quantitatively determine the impact of specific cations (Li^{+}, Na^{+}, K^{+}, and Cs^{+} in chloride electrolytes on the surface potential, the location of the shear plane, and the capacitance of the Stern layer. We find that the magnitude of the surface potential increases linearly with the hydrated-cation radius. Interpreting our data using the simplest assumptions and most straightforward understanding of Gouy-Chapman-Stern theory reveals a Stern layer whose thickness corresponds to a single layer of water molecules hydrating the silica surface, plus the radius of the hydrated cation. These results subject electrical double-layer theories to direct and falsifiable tests to reveal a physically intuitive and quantitatively verified picture of the Stern layer that is consistent across multiple electrolytes and solution conditions.

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.

Patterns of distribution of phosphomono-esterases on surfaces of demineralized bone

DEFF Research Database (Denmark)

Kirkeby, S; Vilmann, H

1979-01-01

Decalcification over short periods (5 days) with MnNa2 EDTA, MgNa2 EDTA and EGTA according to a method described in the present paper, creates sections of high quality with simultaneous good preservation of phosphomonoesterases on bone surfaces. In fact, the enzyme distribution seems to be compar...

Contrasting the surface ocean distribution of bromoform and methyl iodide; implications for boundary layer physics, chemistry and climate

Energy Technology Data Exchange (ETDEWEB)

Palmer, C J, E-mail: carl.j.palmer@gmail.co [Department of Oceanography, University of Cape Town, 7701 (South Africa)

2010-08-15

Bromoform and methyl iodide are both methane-like hydrocarbons with a halogen atom replacing one or more of the hydrogen atoms. Both of these compounds occur naturally in the environment as a result of their production from seaweed and kelp. They are of interest to climate science as a result of their catalytic destruction of boundary layer ozone (a potent greenhouse gas) and, specifically for methyl iodide, the proposed role in the formation of new cloud condensation nuclei with implications for climate. In this paper, the currently available data on the distribution of bromoform and methyl iodide are analysed and contrasted to show that the concentrations of bromoform and methyl iodide do not correlate, that, in contrast to bromoform, the parameterization of sea surface methyl iodide concentrations demands only the sea surface temperature, and that the pelagic distribution of methyl iodide appears to follow the solar zenith angle. These three observations together suggest that, while the pelagic source of bromoform is mostly biogenic, the source of methyl iodide is photochemical. This has implications for the understanding of planetary boundary layer chemistry and potential organohalogen mediated feedbacks to climate.

Contrasting the surface ocean distribution of bromoform and methyl iodide; implications for boundary layer physics, chemistry and climate

International Nuclear Information System (INIS)

Palmer, C J

2010-01-01

Bromoform and methyl iodide are both methane-like hydrocarbons with a halogen atom replacing one or more of the hydrogen atoms. Both of these compounds occur naturally in the environment as a result of their production from seaweed and kelp. They are of interest to climate science as a result of their catalytic destruction of boundary layer ozone (a potent greenhouse gas) and, specifically for methyl iodide, the proposed role in the formation of new cloud condensation nuclei with implications for climate. In this paper, the currently available data on the distribution of bromoform and methyl iodide are analysed and contrasted to show that the concentrations of bromoform and methyl iodide do not correlate, that, in contrast to bromoform, the parameterization of sea surface methyl iodide concentrations demands only the sea surface temperature, and that the pelagic distribution of methyl iodide appears to follow the solar zenith angle. These three observations together suggest that, while the pelagic source of bromoform is mostly biogenic, the source of methyl iodide is photochemical. This has implications for the understanding of planetary boundary layer chemistry and potential organohalogen mediated feedbacks to climate.

Radioactivity distribution measurement of various natural material surfaces with imaging plate

International Nuclear Information System (INIS)

Mori, C.; Suzuki, T.; Koido, S.; Uritani, A.; Yanagida, K.; Wu, Y.; Nishizawa, K.

1996-01-01

Distribution images of natural radioactivity in natural materials such as vegetables were obtained by using Imaging Platc. In ssuch cases, it is necessary to reduce background radiation intensity by one order or more. Graded shielding is very important. Espacially, the innermost surface of a shielding box sshould be covered with acrylic rein plate. We obtained natural radioactivity distribution images of vegetable, sea food, mea etc. Most β-rays emitted from 40 K print the radioactivity distribution image. Comparison between γ-ray intensity of KCL solution measured with HPGe detector and that of natural material specimen gave the radioactivity around 0.06- 0.04Bq/g depending on the kind and the part of specimens. (author). 6 refs., 5 figs., 1 tab

Contamination potential of drinking water distribution network biofilms.

Science.gov (United States)

Wingender, J; Flemming, H C

2004-01-01

Drinking water distribution system biofilms were investigated for the presence of hygienically relevant microorganisms. Early biofilm formation was evaluated in biofilm reactors on stainless steel, copper, polyvinyl chloride (PVC) and polyethylene coupons exposed to unchlorinated drinking water. After 12 to 18 months, a plateau phase of biofilm development was reached. Surface colonization on the materials ranged between 4 x 10(6) and 3 x 10(7) cells/cm2, with heterotrophic plate count (HPC) bacteria between 9 x 10(3) and 7 x 10(5) colony-forming units (cfu)/cm2. Established biofilms were investigated in 18 pipe sections (2 to 99 years old) cut out from distribution pipelines. Materials included cast iron, galvanized steel, cement and PVC. Colonization ranged from 4 x 10(5) to 2 x 10(8) cells/cm2, HPC levels varied between 1 and 2 x 10(5) cfu/cm2. No correlation was found between extent of colonization and age of the pipes. Using cultural detection methods, coliform bacteria were rarely found, while Escherichia coli, Pseudomonas aeruginosa and Legionella spp. were not detected in the biofilms. In regular operation, distribution system biofilms do not seem to be common habitats for pathogens. However, nutrient-leaching materials like rubber-coated valves were observed with massive biofilms which harboured coliform bacteria contaminating drinking water.

Tuning Nanocrystal Surface Depletion by Controlling Dopant Distribution as a Route Toward Enhanced Film Conductivity

Science.gov (United States)

Staller, Corey M.; Robinson, Zachary L.; Agrawal, Ankit; Gibbs, Stephen L.; Greenberg, Benjamin L.; Lounis, Sebastien D.; Kortshagen, Uwe R.; Milliron, Delia J.

2018-05-01

Electron conduction through bare metal oxide nanocrystal (NC) films is hindered by surface depletion regions resulting from the presence of surface states. We control the radial dopant distribution in tin-doped indium oxide (ITO) NCs as a means to manipulate the NC depletion width. We find in films of ITO NCs of equal overall dopant concentration that those with dopant-enriched surfaces show decreased depletion width and increased conductivity. Variable temperature conductivity data shows electron localization length increases and associated depletion width decreases monotonically with increased density of dopants near the NC surface. We calculate band profiles for NCs of differing radial dopant distributions and, in agreement with variable temperature conductivity fits, find NCs with dopant-enriched surfaces have narrower depletion widths and longer localization lengths than those with dopant-enriched cores. Following amelioration of NC surface depletion by atomic layer deposition of alumina, all films of equal overall dopant concentration have similar conductivity. Variable temperature conductivity measurements on alumina-capped films indicate all films behave as granular metals. Herein, we conclude that dopant-enriched surfaces decrease the near-surface depletion region, which directly increases the electron localization length and conductivity of NC films.

Distribution of genes associated with yield potential and water ...

Indian Academy of Sciences (India)

Supplementary data: Distribution of genes associated with yield potential and water-saving in. Chinese Zone II wheat detected by developed functional markers. Zhenxian Gao, Zhanliang Shi, Aimin Zhang and Jinkao Guo. J. Genet. 94, 35–42. Table 1. Functional markers for high-yield or water-saving genes in wheat and ...

Surface nuclear magnetic resonance imaging of water content distribution in the subsurface. 1998 annual progress report

International Nuclear Information System (INIS)

Hendrickx, J.M.H.

1998-01-01

'The objective of the project is to evaluate Surface Nuclear Magnetic Resonance Imaging ( NMRI) for determining water content distribution in the subsurface. In NMRI the interaction of the magnetic moment of hydrogen ( protons) nuclei with external applied electromagnetic ( EM ) fields is measured. In surface NMRI the Earth''s magnetic field causes alignment of the spinning protons. An alternating EM field is generated by a loop of wire laid on the Earth surface. The alternating current driven through the loop at the Lamor frequency of protons in liquid water. The component of the EM field perpendicular to the Earth''s field causes a precession of protons from their equilibrium position. Water content distribution in the subsurface is derived from measurements on the EM field caused by the return of the precessing protons to equilibrium after the current in the transmitter loop is terminated. The scientific goals of the R and D are: to verify and validate the theoretical concepts and experimental results of Russian scientists, who first introduced this method; to evaluate the range of applications and limitations of this technology for practical field measurements. NMRI has the potential of providing a remote, direct, unique method for subsurface water measurements. All present methods are either intrusive or indirect ( e.g. electrical resitivity measurements). In the past year progress has been made along two separate paths. These are: (1) Field Measurements. Surface NMRI equipment manufactured by IRIS Instruments of France was tested over a number of sites with good hydrogeologic control. The results of these measurements can be summarized as follows: The NMRI measurement directly and uniquely determines water distribution in coarse grained aquifers; geologic formation from which water can be readily withdrawn. Water content can not be determined by this technique in fine grained sediments. The signal to be measured is very small and EM interference''s from power

A statistical nanomechanism of biomolecular patterning actuated by surface potential

Science.gov (United States)

Lin, Chih-Ting; Lin, Chih-Hao

2011-02-01

Biomolecular patterning on a nanoscale/microscale on chip surfaces is one of the most important techniques used in vitro biochip technologies. Here, we report upon a stochastic mechanics model we have developed for biomolecular patterning controlled by surface potential. The probabilistic biomolecular surface adsorption behavior can be modeled by considering the potential difference between the binding and nonbinding states. To verify our model, we experimentally implemented a method of electroactivated biomolecular patterning technology and the resulting fluorescence intensity matched the prediction of the developed model quite well. Based on this result, we also experimentally demonstrated the creation of a bovine serum albumin pattern with a width of 200 nm in 5 min operations. This submicron noncovalent-binding biomolecular pattern can be maintained for hours after removing the applied electrical voltage. These stochastic understandings and experimental results not only prove the feasibility of submicron biomolecular patterns on chips but also pave the way for nanoscale interfacial-bioelectrical engineering.

Characterizing the surface charge of synthetic nanomembranes by the streaming potential method

OpenAIRE

Datta, Subhra; Conlisk, A. T.; Kanani, Dharmesh M.; Zydney, Andrew L.; Fissell, William H.; Roy, Shuvo

2010-01-01

The inference of the surface charge of polyethylene glycol (PEG)-coated and uncoated silicon membranes with nanoscale pore sizes from streaming potential measurements in the presence of finite electric double layer (EDL) effects is studied theoretically and experimentally. The developed theoretical model for inferring the pore wall surface charge density from streaming potential measurements is applicable to arbitrary pore cross-sectional shapes and accounts for the effect of finite salt conc...

Calculation of high-dimensional fission-fusion potential-energy surfaces in the SHE region

International Nuclear Information System (INIS)

Moeller, Peter; Sierk, Arnold J.; Ichikawa, Takatoshi; Iwamoto, Akira

2004-01-01

We calculate in a macroscopic-microscopic model fission-fusion potential-energy surfaces relevant to the analysis of heavy-ion reactions employed to form heavy-element evaporation residues. We study these multidimensional potential-energy surfaces both inside and outside the touching point.Inside the point of contact we define the potential on a multi-million-point grid in 5D deformation space where elongation, merging projectile and target spheroidal shapes, neck radius and projectile/target mass asymmetry are independent shape variables. The same deformation space and the corresponding potential-energy surface also describe the shape evolution from the nuclear ground-state to separating fragments in fission, and the fast-fission trajectories in incomplete fusion.For separated nuclei we study the macroscopic-microscopic potential energy, that is the ''collision surface'' between a spheroidally deformed target and a spheroidally deformed projectile as a function of three coordinates which are: the relative location of the projectile center-of-mass with respect to the target center-of-mass and the spheroidal deformations of the target and the projectile. We limit our study to the most favorable relative positions of target and projectile, namely that the symmetry axes of the target and projectile are collinear

Investigation of tunneling current and local contact potential difference on the TiO2(110) surface by AFM/KPFM at 78 K.

Science.gov (United States)

Wen, Huan Fei; Li, Yan Jun; Arima, Eiji; Naitoh, Yoshitaka; Sugawara, Yasuhiro; Xu, Rui; Cheng, Zhi Hai

2017-03-10

We propose a new multi-image method for obtaining the frequency shift, tunneling current and local contact potential difference (LCPD) on a TiO 2 (110) surface with atomic resolution. The tunneling current image reveals rarely observed surface oxygen atoms contrary to the conventional results. We analyze how the surface and subsurface defects affect the distribution of the LCPD. In addition, the subsurface defects are observed clearly in the tunneling current image, in contrast to a topographic image. To clarify the origin of the atomic contrast, we perform site-dependent spectroscopy as a function of the tip-sample distance. The multi-image method is expected to be widely used to investigate the charge transfer phenomena between the nanoparticles and surface sites, and it is useful for elucidating the mechanisms of catalytic reactions.

Evaluation of Surface Water Harvesting Potential in Aq Emam Watershed System in the Golestan Province

Directory of Open Access Journals (Sweden)

s. nazaryan

2016-02-01

of runoff production potential indicated that May and June accounted for the highest runoff and it can be inferred from these results that both of these months are characterized with storms which was confirmed by interviewing local residents and as range-land covers the largest land use in the basin as well as low vegetation density in the spring and summer due to overgrazing, much more runoff has been produced which is in line with the studies conducted by the Department of Natural Resources of the Golestan province in Aq Emam watershed (2003 as well as findings of Eftekhari et al. The results showed that the highest areas of the sub watershed 8, and 3 were suitable for rain water harvesting. Thus, the appropriate areas for rain water harvesting in the sub watersheds do not have a uniform spatial distribution according to the results. It can be argued that these sub basins are characterized by 4 criteria to be appropriate for rain water harvesting, which is in confirmation with Miliniai et al. Also according to the results, the areas suitable for rainwater harvesting in each sub-basin have heterogeneous spatial distribution as confirmed by the results of Eftekhari and Jin et al. Given the final map from integrating data layers, it was found that the central part of the study area has a good potential for rainwater harvesting and as results show, suitable area for water harvesting in the watershed coincides with range-lands that have a moderate crown cover as confirmed by the results reported by Tabatabaii et al. Conclusion: Finally it can be said that spatial evaluation and identification of proper areas for rain water harvesting is an important and necessary step in the application of rain water harvesting systems. Keywords: Surface water harvesting, Spatial evaluation, Sub watersheds priority, GIS, SCS

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

International Nuclear Information System (INIS)

Muntwiler, Matthias; Zhu, X-Y

2008-01-01

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

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.

Transmission comb of a distributed Bragg reflector with two surface dielectric gratings

KAUST Repository

Zhao, Xiaobo; Zhang, Yongyou; Zhang, Qingyun; Zou, Bingsuo; Schwingenschlö gl, Udo

2016-01-01

The transmission behaviour of a distributed Bragg reector (DBR) with surface dielectric gratings on top and bottom is studied. The transmission shows a comb-like spectrum in the DBR band gap, which is explained in the Fano picture. The number

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

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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.

Distribution and contamination status of chromium in surface sediments of northern Kaohsiung Harbor, Taiwan.

Science.gov (United States)

Dong, Cheng-Di; Chen, Chiu-Wen; Chen, Chih-Feng

2013-07-01

The distribution, enrichment, accumulation, and potential ecological risk of chromium (Cr) in the surface sediments of northern Kaohsiung Harbor, Taiwan, China were investigated. Sediment samples from ten locations located between the river mouths and harbor entrance of northern Kaohsiung Harbor were collected quarterly in 2011 and characterized for Cr, aluminum, water content, organic matter, total nitrogen, total phosphorous, total grease, and grain size. Results showed that the Cr concentrations varied from 27.0 to 361.9 mg/kg with an average of (113.5 +/- 87.0) mg/kg. High Cr concentration was observed near the Jen-Gen River mouth. The mean Cr concentration was high at 255.5 mg/kg, which was at least 2 to 7 times than that of other sites. This might imply significant Cr contribution from upstream receiving tanneries wastewater into the Jen-Gen River. The spatial distribution of Cr reveals relatively high in the river mouth region, especially in Jen-Gen River, and gradually diminishes toward the harbor entrance region. This indicates that the major sources of Cr pollution from upstream industrial and municipal wastewaters discharged along the river bank; and Cr may drift with sea current and be dispersed into open sea. Moreover, Cr concentrations correlated closely to the physical-chemical properties of the sediments, which suggested the influence of industrial and municipal wastewaters discharged from the neighboring industrial parks and river basins. Results from the enrichment factor and geo-accumulation index analyses imply that the Jen-Gen River sediments can be characterized as moderate enrichment and none to medium accumulation of Cr, respectively. However, results of potential ecological risk index indicate that the sediment has low ecological potential risk. The results can provide valuable information to developing future strategies for the management of river mouth and harbor.

Valence bond model potential energy surface for H4

International Nuclear Information System (INIS)

Silver, D.M.; Brown, N.J.

1980-01-01

Potential energy surfaces for the H 4 system are derived using the valence bond procedure. An ab initio evaluation of the valence bond energy expression is described and some of its numerical properties are given. Next, four semiempirical evaluations of the valence bond energy are defined and parametrized to yield reasonable agreement with various ab initio calculations of H 4 energies. Characteristics of these four H 4 surfaces are described by means of tabulated energy minima and equipotential contour maps for selected geometrical arrangements of the four nuclei

Plasma membrane surface potential: dual effects upon ion uptake and toxicity

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Electrical properties of plasma membranes (PMs), partially controlled by the ionic composition of the bathing medium, play significant roles in the distribution of ions at the exterior surface of PMs and in the transport of ions across PMs. The effects of coexistent cations (commonly Al3+, Ca2+, Mg...

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.

[Potential distribution and geographic characteristics of wild populations of Vanilla planifolia (Orchidaceae) Oaxaca, Mexico].

Science.gov (United States)

Hernandez-Ruiz, Jesús; Herrera-Cabrera, B Edgar; Delgado-Alvarado, Adriana; Salazar-Rojas, Víctor M; Bustamante-Gonzalez, Ángel; Campos-Contreras, Jorge E; Ramírez-Juarez, Javier

2016-03-01

Wild specimens of Vanilla planifolia represent a vital part of this resource primary gene pool, and some plants have only been reported in Oaxaca, Mexico. For this reason, we studied its geographical distribution within the state, to locate and describe the ecological characteristics of the areas where they have been found, in order to identify potential areas of establishment. The method comprised four stages: 1) the creation of a database with herbarium records, 2) the construction of the potential distribution based on historical herbarium records for the species, using the model of maximum entropy (MaxEnt) and 22 bioclimatic variables as predictors; 3) an in situ systematic search of individuals, based on herbarium records and areas of potential distribution in 24 municipalities, to determine the habitat current situation and distribution; 4) the description of the environmental factors of potential ecological niches generated by MaxEnt. A review of herbarium collections revealed a total of 18 records of V. planifolia between 1939 and 1998. The systematic search located 28 plants distributed in 12 sites in 95 364 Km(2). The most important variables that determined the model of vanilla potential distribution were: precipitation in the rainy season (61.9 %), soil moisture regime (23.4 %) and precipitation during the four months of highest rainfall (8.1 %). The species potential habitat was found to be distributed in four zones: wet tropics of the Gulf of Mexico, humid temperate, humid tropical, and humid temperate in the Pacific. Precipitation oscillated within the annual ranges of 2 500 to 4 000 mm, with summer rains, and winter precipitation as 5 to 10 % of the total. The moisture regime and predominating climate were udic type I (330 to 365 days of moisture) and hot humid (Am/A(C) m). The plants were located at altitudes of 200 to 1 190 masl, on rough hillsides that generally make up the foothills of mountain systems, with altitudes of 1 300 to 2 500 masl. In

Data-driven mapping of the potential mountain permafrost distribution.

Science.gov (United States)

Deluigi, Nicola; Lambiel, Christophe; Kanevski, Mikhail

2017-07-15

Existing mountain permafrost distribution models generally offer a good overview of the potential extent of this phenomenon at a regional scale. They are however not always able to reproduce the high spatial discontinuity of permafrost at the micro-scale (scale of a specific landform; ten to several hundreds of meters). To overcome this lack, we tested an alternative modelling approach using three classification algorithms belonging to statistics and machine learning: Logistic regression, Support Vector Machines and Random forests. These supervised learning techniques infer a classification function from labelled training data (pixels of permafrost absence and presence) with the aim of predicting the permafrost occurrence where it is unknown. The research was carried out in a 588km 2 area of the Western Swiss Alps. Permafrost evidences were mapped from ortho-image interpretation (rock glacier inventorying) and field data (mainly geoelectrical and thermal data). The relationship between selected permafrost evidences and permafrost controlling factors was computed with the mentioned techniques. Classification performances, assessed with AUROC, range between 0.81 for Logistic regression, 0.85 with Support Vector Machines and 0.88 with Random forests. The adopted machine learning algorithms have demonstrated to be efficient for permafrost distribution modelling thanks to consistent results compared to the field reality. The high resolution of the input dataset (10m) allows elaborating maps at the micro-scale with a modelled permafrost spatial distribution less optimistic than classic spatial models. Moreover, the probability output of adopted algorithms offers a more precise overview of the potential distribution of mountain permafrost than proposing simple indexes of the permafrost favorability. These encouraging results also open the way to new possibilities of permafrost data analysis and mapping. Copyright © 2017 Elsevier B.V. All rights reserved.

Spatial response surface modelling in the presence of data paucity for the evaluation of potential human health risk due to the contamination of potable water resources.

Science.gov (United States)

Liu, Shen; McGree, James; Hayes, John F; Goonetilleke, Ashantha

2016-10-01

Potential human health risk from waterborne diseases arising from unsatisfactory performance of on-site wastewater treatment systems is driven by landscape factors such as topography, soil characteristics, depth to water table, drainage characteristics and the presence of surface water bodies. These factors are present as random variables which are spatially distributed across a region. A methodological framework is presented that can be applied to model and evaluate the influence of various factors on waterborne disease potential. This framework is informed by spatial data and expert knowledge. For prediction at unsampled sites, interpolation methods were used to derive a spatially smoothed surface of disease potential which takes into account the uncertainty due to spatial variation at any pre-determined level of significance. This surface was constructed by accounting for the influence of multiple variables which appear to contribute to disease potential. The framework developed in this work strengthens the understanding of the characteristics of disease potential and provides predictions of this potential across a region. The study outcomes presented constitutes an innovative approach to environmental monitoring and management in the face of data paucity. Copyright © 2016 Elsevier B.V. All rights reserved.

Ride control of surface effect ships using distributed control

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Asgeir J. Sørensen

1994-04-01

Full Text Available A ride control system for active damping of heave and pitch accelerations of Surface Effect Ships (SES is presented. It is demonstrated that distributed effects that are due to a spatially varying pressure in the air cushion result in significant vertical vibrations in low and moderate sea states. In order to achieve a high quality human comfort and crew workability it is necessary to reduce these vibrations using a control system which accounts for distributed effects due to spatial pressure variations in the air cushion. A mathematical model of the process is presented, and collocated sensor and actuator pairs are used. The process stability is ensured using a controller with appropriate passivity properties. Sensor and actuator location is also discussed. The performance of the ride control system is shown by power spectra of the vertical accelerations obtained from full scale experiments with a 35 m SES.

Massive calculations of electrostatic potentials and structure maps of biopolymers in a distributed computing environment

International Nuclear Information System (INIS)

Akishina, T.P.; Ivanov, V.V.; Stepanenko, V.A.

2013-01-01

Among the key factors determining the processes of transcription and translation are the distributions of the electrostatic potentials of DNA, RNA and proteins. Calculations of electrostatic distributions and structure maps of biopolymers on computers are time consuming and require large computational resources. We developed the procedures for organization of massive calculations of electrostatic potentials and structure maps for biopolymers in a distributed computing environment (several thousands of cores).

Guided selective deposition of nanoparticles by tuning of the surface potential

Science.gov (United States)

Eklöf, J.; Stolaś, A.; Herzberg, M.; Pekkari, A.; Tebikachew, B.; Gschneidtner, T.; Lara-Avila, S.; Hassenkam, T.; Moth-Poulsen, K.

2017-07-01

Guided deposition of nanoparticles onto different substrates is of great importance for a variety of applications such as biosensing, targeted cancer therapy, anti-bacterial coatings and single molecular electronics. It is therefore important to gain an understanding of what parameters are involved in the deposition of nanoparticles. In this work we have deposited 60 nm, negatively charged, citrate stabilized gold nanoparticles onto microstructures consisting of six different materials, (vanadium (V), silicon dioxide (SiO2), gold (Au), aluminum (Al), copper (Cu) and nickel (Ni)). The samples have then been investigated by scanning electron microscopy to extract the particle density. The surface potential was calculated from the measured surface charge density maps measured by atomic force microscopy while the samples were submerged in a KCl water solution. These values were compared with literature values of the isoelectric points (IEP) of different oxides formed on the metals in an ambient environment. According to measurements, Al had the highest surface potential followed by Ni and Cu. The same trend was observed for the nanoparticle densities. No particles were found on V, SiO2 and Au. The literature values of the IEP showed a different trend compared to the surface potential measurements concluding that IEP is not a reliable parameter for the prediction of NP deposition. Contribution to the Focus Issue Self-assemblies of Inorganic and Organic Nanomaterials edited by Marie-Paule Pileni.

The potentially neglected culprit of DC surface flashover: electron migration under temperature gradients.

Science.gov (United States)

Li, Chuanyang; Hu, Jun; Lin, Chuanjie; He, Jinliang

2017-06-12

This report intends to reveal the role of electron migration and its effects in triggering direct current (DC) surface flashover under temperature gradient conditions when using epoxy-based insulating composites. The surface potential and the surface flashover voltage are both measured using insulators that are bridged between two thermo-regulated electrodes. The space charge injection and migration properties under different temperature are detected. The results show that the surface potential rises significantly because of electron migration near the high voltage (HV) electrode under high temperature conditions, thus creating an "analogous ineffective region". The expansion of this "analogous ineffective region" results in most of the voltage drop occurring near the ground electrode, which serves as an important factor triggering positive streamers across the insulation surface. This work is helpful in understanding of DC surface flashover mechanism from a new perspective and also has important significance in design of a suitable DC insulator to avoid surface flashover problem.

Evaluation of protein adsorption onto a polyurethane nanofiber surface having different segment distributions

Energy Technology Data Exchange (ETDEWEB)

Morita, Yuko; Koizumi, Gaku [Frontier Fiber Technology and Science, Graduate School of Engineering, University of Fukui (Japan); Sakamoto, Hiroaki, E-mail: hi-saka@u-fukui.ac.jp [Tenure-Track Program for Innovative Research, University of Fukui (Japan); Suye, Shin-ichiro [Frontier Fiber Technology and Science, Graduate School of Engineering, University of Fukui (Japan)

2017-02-01

Electrospinning is well known to be an effective method for fabricating polymeric nanofibers with a diameter of several hundred nanometers. Recently, the molecular-level orientation within nanofibers has attracted particular attention. Previously, we used atomic force microscopy to visualize the phase separation between soft and hard segments of a polyurethane (PU) nanofiber surface prepared by electrospinning. The unstretched PU nanofibers exhibited irregularly distributed hard segments, whereas hard segments of stretched nanofibers prepared with a high-speed collector exhibited periodic structures along the long-axis direction. PU was originally used to inhibit protein adsorption, but because the surface segment distribution was changed in the stretched nanofiber, here, we hypothesized that the protein adsorption property on the stretched nanofiber might be affected. We investigated protein adsorption onto PU nanofibers to elucidate the effects of segment distribution on the surface properties of PU nanofibers. The amount of adsorbed protein on stretched PU nanofibers was increased compared with that of unstretched nanofibers. These results indicate that the hard segment alignment on stretched PU nanofibers mediated protein adsorption. It is therefore expected that the amount of protein adsorption can be controlled by rotation of the collector. - Highlights: • The hard segments of stretched PU nanofibers exhibit periodic structures. • The adsorbed protein on stretched PU nanofibers was increased compared with PU film. • The hard segment alignment on stretched PU nanofibers mediated protein adsorption.

Detection of a strongly negative surface potential at Saturn's moon Hyperion.

Science.gov (United States)

Nordheim, T A; Jones, G H; Roussos, E; Leisner, J S; Coates, A J; Kurth, W S; Khurana, K K; Krupp, N; Dougherty, M K; Waite, J H

2014-10-28

On 26 September 2005, Cassini conducted its only close targeted flyby of Saturn's small, irregularly shaped moon Hyperion. Approximately 6 min before the closest approach, the electron spectrometer (ELS), part of the Cassini Plasma Spectrometer (CAPS) detected a field-aligned electron population originating from the direction of the moon's surface. Plasma wave activity detected by the Radio and Plasma Wave instrument suggests electron beam activity. A dropout in energetic electrons was observed by both CAPS-ELS and the Magnetospheric Imaging Instrument Low-Energy Magnetospheric Measurement System, indicating that the moon and the spacecraft were magnetically connected when the field-aligned electron population was observed. We show that this constitutes a remote detection of a strongly negative (∼ -200 V) surface potential on Hyperion, consistent with the predicted surface potential in regions near the solar terminator.

The Low-Noise Potential of Distributed Propulsion on a Catamaran Aircraft

Science.gov (United States)

Posey, Joe W.; Tinetti, A. F.; Dunn, M. H.

2006-01-01

The noise shielding potential of an inboard-wing catamaran aircraft when coupled with distributed propulsion is examined. Here, only low-frequency jet noise from mid-wing-mounted engines is considered. Because low frequencies are the most difficult to shield, these calculations put a lower bound on the potential shielding benefit. In this proof-of-concept study, simple physical models are used to describe the 3-D scattering of jet noise by conceptualized catamaran aircraft. The Fast Scattering Code is used to predict noise levels on and about the aircraft. Shielding results are presented for several catamaran type geometries and simple noise source configurations representative of distributed propulsion radiation. Computational analyses are presented that demonstrate the shielding benefits of distributed propulsion and of increasing the width of the inboard wing. Also, sample calculations using the FSC are presented that demonstrate additional noise reduction on the aircraft fuselage by the use of acoustic liners on the inboard wing trailing edge. A full conceptual aircraft design would have to be analyzed over a complete mission to more accurately quantify community noise levels and aircraft performance, but the present shielding calculations show that a large acoustic benefit could be achieved by combining distributed propulsion and liner technology with a twin-fuselage planform.

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

A Study of Land Surface Temperature Retrieval and Thermal Environment Distribution Based on Landsat-8 in Jinan City

Science.gov (United States)

Dong, Fang; Chen, Jian; Yang, Fan

2018-01-01

Based on the medium resolution Landsat 8 OLI/TIRS, the temperature distribution in four seasons of urban area in Jinan City was obtained by using atmospheric correction method for the retrieval of land surface temperature. Quantitative analysis of the spatio-temporal distribution characteristics, development trend of urban thermal environment, the seasonal variation and the relationship between surface temperature and normalized difference vegetation index (NDVI) was studied. The results show that the distribution of high temperature areas is concentrated in Jinan, and there is a tendency to expand from east to west, revealing a negative correlation between land surface temperature distribution and NDVI. So as to provide theoretical references and scientific basis of improving the ecological environment of Jinan City, strengthening scientific planning and making overall plan addressing climate change.

[Effect of pulse magnetic field on distribution of neuronal action potential].

Science.gov (United States)

Zheng, Yu; Cai, Di; Wang, Jin-Hai; Li, Gang; Lin, Ling

2014-08-25

The biological effect on the organism generated by magnetic field is widely studied. The present study was aimed to observe the change of sodium channel under magnetic field in neurons. Cortical neurons of Kunming mice were isolated, subjected to 15 Hz, 1 mT pulse magnetic stimulation, and then the currents of neurons were recorded by whole-cell patch clamp. The results showed that, under magnetic stimulation, the activation process of Na(+) channel was delayed, and the inactivation process was accelerated. Given the classic three-layer model, the polarization diagram of cell membrane potential distribution under pulse magnetic field was simulated, and it was found that the membrane potential induced was associated with the frequency and intensity of magnetic field. Also the effect of magnetic field-induced current on action potential was simulated by Hodgkin-Huxley (H-H) model. The result showed that the generation of action potential was delayed, and frequency and the amplitudes were decreased when working current was between -1.32 μA and 0 μA. When the working current was higher than 0 μA, the generation frequency of action potential was increased, and the change of amplitudes was not obvious, and when the working current was lower than -1.32 μA, the time of rising edge and amplitudes of action potential were decreased drastically, and the action potential was unable to generate. These results suggest that the magnetic field simulation can affect the distribution frequency and amplitude of action potential of neuron via sodium channel mediation.

Pharmaceutical and biomedical potential of surface engineered dendrimers.

Science.gov (United States)

Satija, Jitendra; Gupta, Umesh; Jain, Narendra Kumar

2007-01-01

Dendrimers are hyperbranched, globular, monodisperse, nanometric polymeric architecture, having definite molecular weight, shape, and size (which make these an inimitable and optimum carrier molecule in pharmaceutical field). Dendritic architecture is having immense potential over the other carrier systems, particularly in the field of drug delivery because of their unique properties, such as structural uniformity, high purity, efficient membrane transport, high drug pay load, targeting potential, and good colloidal, biological, and shelf stability. Despite their enormous applicability in different areas, the inherent cytotoxicity, reticuloendothelial system (RES) uptake, drug leakage, immunogenicity, and hemolytic toxicity restricted their use in clinical applications, which is primarily associated with cationic charge present on the periphery due to amine groups. To overcome this toxic nature of dendrimers, some new types of nontoxic, biocompatible, and biodegradable dendrimers have been developed (e.g., polyester dendrimer, citric acid dendrimer, arginine dendrimer, carbohydrate dendrimers, etc.). The surface engineering of parent dendrimers is graceful and convenient strategy, which not only shields the positive charge to make this carrier more biomimetic but also improves the physicochemical and biological behavior of parent dendrimers. Thus, surface modification chemistry of parent dendrimers holds promise in pharmaceutical applications (such as solubilization, improved drug encapsulation, enhanced gene transfection, sustained and controlled drug release, intracellular targeting) and in the diagnostic field. Development of multifunctional dendrimer holds greater promise toward the biomedical applications because a number of targeting ligands determine specificity in the same manner as another type of group would secure stability in biological milieu and prolonged circulation, whereas others facilitate their transport through cell membranes. Therefore, as a

Present and Potential Future Distributions of Asian Horseshoe Crabs Determine Areas for Conservation

Directory of Open Access Journals (Sweden)

Stine Vestbo

2018-05-01

Full Text Available Conservation of horseshoe crabs has recently received increasing attention as several populations are in decline. However, scarce information on their distributions in Southeast Asia is impairing conservation efforts. In this study, we sought to improve our understanding of the geographical range and distinct populations of the three Asian horseshoe crabs species in order to identify optimal conservation areas. We mapped the geographic range of Carcinoscorpius rotundicauda, Tachypleus gigas, and T. tridentatus using recent data from field work, literature, Global Biodiversity Information Facility (GBIF, and unpublished data from our scientific network. The data were correlated with 23 different environmental variables of potential ecological importance for horseshoe crabs using the openModeller webservices, including new tidal variables. Ecological niche models were generated using two algorithms, Maximum Entropy and support vector machine, for the three species under present conditions, and projected into a climate change scenario of 2050. The niches of the Asian horseshoe crabs were mostly determined by tidal regime, chlorophyll A concentrations, depth, distance to land, and sea surface temperature. According to our predictions, horseshoe crabs in Southeast Asia are not expected to experience any severe change in extent and distribution of suitable habitat in the future. In order to conserve Asian horseshoe crabs, we suggest establishing Marine Protected Areas at locations where distinct populations and several species occur, such as northern Vietnam, China, Borneo, and southern Japan.

Modified-surface-energy methods for deriving heavy-ion potentials

International Nuclear Information System (INIS)

Sierk, A.J.

1977-01-01

The use of a modified-surface-energy approach for the calculation of heavy-ion interaction potentials is discussed. It is not possible to simultaneously fit elastic scattering, ion interaction barriers, and fission barriers with the same set of constants in this model. Possible explanations of this deficiency are discussed

On potential distribution in accelerating structure with RF-quadrupole focusing

International Nuclear Information System (INIS)

Lymar', A.G.; Martynenko, P.A.; Khizhnyak, N.A.

1993-01-01

Results of the calculation of electric potential distribution between electrodes of an accelerating system, which is drift tubes arranged in the form of match boxes are presented. Three-dimensional Laplace equation solved by the finite-difference method has been used in the calculations. 6 refs., 1 fig

Silver disinfection in water distribution systems

Science.gov (United States)

Silvestry Rodriguez, Nadia

Silver was evaluated as disinfectant to maintain water quality in water distribution system. It was used to inhibit growth of two opportunistic bacteria in planktonik form and in biofilm formation in Robbins devices with stainless steel and PVC surfaces. The results of this work show that silver is a potential secondary disinfectant to be used in water distribution systems.

A lattice Boltzmann simulation of coalescence-induced droplet jumping on superhydrophobic surfaces with randomly distributed structures

Science.gov (United States)

Zhang, Li-Zhi; Yuan, Wu-Zhi

2018-04-01

The motion of coalescence-induced condensate droplets on superhydrophobic surface (SHS) has attracted increasing attention in energy-related applications. Previous researches were focused on regularly rough surfaces. Here a new approach, a mesoscale lattice Boltzmann method (LBM), is proposed and used to model the dynamic behavior of coalescence-induced droplet jumping on SHS with randomly distributed rough structures. A Fast Fourier Transformation (FFT) method is used to generate non-Gaussian randomly distributed rough surfaces with the skewness (Sk), kurtosis (K) and root mean square (Rq) obtained from real surfaces. Three typical spreading states of coalesced droplets are observed through LBM modeling on various rough surfaces, which are found to significantly influence the jumping ability of coalesced droplet. The coalesced droplets spreading in Cassie state or in composite state will jump off the rough surfaces, while the ones spreading in Wenzel state would eventually remain on the rough surfaces. It is demonstrated that the rough surfaces with smaller Sks, larger Rqs and a K at 3.0 are beneficial to coalescence-induced droplet jumping. The new approach gives more detailed insights into the design of SHS.

Quasi-classical trajectory approach to the O(1D)+HBr→OH+Br reaction stereo-dynamics on X1A' potential energy surface

International Nuclear Information System (INIS)

Li Hong; Zheng Bin; Yin Ji-Qing; Meng Qing-Tian

2011-01-01

The vector properties of reaction O( 1 D)+HBr→OH+Br on the potential energy surface (PES) of X 1 A' ground singlet state are studied by using the quasi-classical trajectory (QCT) theory. The polarization-dependent differential cross sections (PDDCSs), the average rotational alignment factor 2 (j' · k)>, as well as the distributions reflecting vector correlations are also computed. The analysis of the results shows that the alignment and the orientation distribution of the rotation angular momentum vector of product molecule OH is influenced by both the effect of heavy—light—heavy (HLH) type mass combination and the deep well of PES. (atomic and molecular physics)

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

that in this study recording sites have been suggested on their ability to detect disease and such sites may not be optimal for estimating body surface potential distributions.

The stochastic distribution of available coefficient of friction for human locomotion of five different floor surfaces.

Science.gov (United States)

Chang, Wen-Ruey; Matz, Simon; Chang, Chien-Chi

2014-05-01

The maximum coefficient of friction that can be supported at the shoe and floor interface without a slip is usually called the available coefficient of friction (ACOF) for human locomotion. The probability of a slip could be estimated using a statistical model by comparing the ACOF with the required coefficient of friction (RCOF), assuming that both coefficients have stochastic distributions. An investigation of the stochastic distributions of the ACOF of five different floor surfaces under dry, water and glycerol conditions is presented in this paper. One hundred friction measurements were performed on each floor surface under each surface condition. The Kolmogorov-Smirnov goodness-of-fit test was used to determine if the distribution of the ACOF was a good fit with the normal, log-normal and Weibull distributions. The results indicated that the ACOF distributions had a slightly better match with the normal and log-normal distributions than with the Weibull in only three out of 15 cases with a statistical significance. The results are far more complex than what had heretofore been published and different scenarios could emerge. Since the ACOF is compared with the RCOF for the estimate of slip probability, the distribution of the ACOF in seven cases could be considered a constant for this purpose when the ACOF is much lower or higher than the RCOF. A few cases could be represented by a normal distribution for practical reasons based on their skewness and kurtosis values without a statistical significance. No representation could be found in three cases out of 15. Copyright © 2013 Elsevier Ltd and The Ergonomics Society. All rights reserved.

Accelerating Electrostatic Surface Potential Calculation with Multiscale Approximation on Graphics Processing Units

Science.gov (United States)

Anandakrishnan, Ramu; Scogland, Tom R. W.; Fenley, Andrew T.; Gordon, John C.; Feng, Wu-chun; Onufriev, Alexey V.

2010-01-01

Tools that compute and visualize biomolecular electrostatic surface potential have been used extensively for studying biomolecular function. However, determining the surface potential for large biomolecules on a typical desktop computer can take days or longer using currently available tools and methods. Two commonly used techniques to speed up these types of electrostatic computations are approximations based on multi-scale coarse-graining and parallelization across multiple processors. This paper demonstrates that for the computation of electrostatic surface potential, these two techniques can be combined to deliver significantly greater speed-up than either one separately, something that is in general not always possible. Specifically, the electrostatic potential computation, using an analytical linearized Poisson Boltzmann (ALPB) method, is approximated using the hierarchical charge partitioning (HCP) multiscale method, and parallelized on an ATI Radeon 4870 graphical processing unit (GPU). The implementation delivers a combined 934-fold speed-up for a 476,040 atom viral capsid, compared to an equivalent non-parallel implementation on an Intel E6550 CPU without the approximation. This speed-up is significantly greater than the 42-fold speed-up for the HCP approximation alone or the 182-fold speed-up for the GPU alone. PMID:20452792

Evaluation of SCS-CN method using a fully distributed physically based coupled surface-subsurface flow model

Science.gov (United States)

Shokri, Ali

2017-04-01

The hydrological cycle contains a wide range of linked surface and subsurface flow processes. In spite of natural connections between surface water and groundwater, historically, these processes have been studied separately. The current trend in hydrological distributed physically based model development is to combine distributed surface water models with distributed subsurface flow models. This combination results in a better estimation of the temporal and spatial variability of the interaction between surface and subsurface flow. On the other hand, simple lumped models such as the Soil Conservation Service Curve Number (SCS-CN) are still quite common because of their simplicity. In spite of the popularity of the SCS-CN method, there have always been concerns about the ambiguity of the SCS-CN method in explaining physical mechanism of rainfall-runoff processes. The aim of this study is to minimize these ambiguity by establishing a method to find an equivalence of the SCS-CN solution to the DrainFlow model, which is a fully distributed physically based coupled surface-subsurface flow model. In this paper, two hypothetical v-catchment tests are designed and the direct runoff from a storm event are calculated by both SCS-CN and DrainFlow models. To find a comparable solution to runoff prediction through the SCS-CN and DrainFlow, the variance between runoff predictions by the two models are minimized by changing Curve Number (CN) and initial abstraction (Ia) values. Results of this study have led to a set of lumped model parameters (CN and Ia) for each catchment that is comparable to a set of physically based parameters including hydraulic conductivity, Manning roughness coefficient, ground surface slope, and specific storage. Considering the lack of physical interpretation in CN and Ia is often argued as a weakness of SCS-CN method, the novel method in this paper gives a physical explanation to CN and Ia.

Distribution, enrichment and sources of thallium in the surface sediments of the southwestern coastal Laizhou Bay, Bohai Sea.

Science.gov (United States)

Zhuang, Wen; Gao, Xuelu

2015-07-15

The concentrations of thallium (Tl) in the surface sediments of the southwestern coastal Laizhou Bay and the rivers it connects were determined. In riverine sediments, the Tl concentrations ranged from 0.34 to 0.76 μg g(-1) in summer; in autumn, the corresponding data were 0.35-1.08 μg g(-1). In marine sediments, the Tl concentrations ranged from 0.36 to 0.58 μg g(-1) in summer; and from 0.30 to 0.56 μg g(-1) in autumn. The grain size, Al and Fe oxides were major factors affecting Tl distribution. Tl in the surface sediments of the studied area was mainly from the natural input with the non-natural input as a subsidiary source. The low concentrations of Tl made it hard to cause potential negative environmental effects in this area. Copyright © 2015 Elsevier Ltd. All rights reserved.

Calculation of Pressure Distribution at Rotary Body Surface with the Vortex Element Method

Directory of Open Access Journals (Sweden)

S. A. Dergachev

2014-01-01

Full Text Available Vortex element method allows to simulate unsteady hydrodynamic processes in incompressible environment, taking into account the evolution of the vortex sheet, including taking into account the deformation or moving of the body or part of construction.For the calculation of the hydrodynamic characteristics of the method based on vortex element software package was developed MVE3D. Vortex element (VE in program is symmetrical Vorton-cut. For satisfying the boundary conditions at the surface used closed frame of vortons.With this software system modeled incompressible flow around a cylindrical body protection elongation L / D = 13 with a front spherical blunt with the angle of attack of 10 °. We analyzed the distribution of the pressure coefficient on the body surface of the top and bottom forming.The calculate results were compared with known Results of experiment.Considered design schemes with different number of Vorton framework. Also varied radius of VE. Calculation make possible to establish the degree of sampling surface needed to produce close to experiment results. It has been shown that an adequate reproducing the pressure distribution in the transition region spherical cylindrical surface, on the windward side requires a high degree of sampling.Based on these results Can be possible need to improve on the design scheme of body's surface, allowing more accurate to describe the flow vorticity in areas with abrupt changes of geometry streamlined body.

Surface complexation of selenite on goethite: MO/DFT geometry and charge distribution

NARCIS (Netherlands)

Hiemstra, T.; Rietra, R.P.J.J.; Riemsdijk, van W.H.

2007-01-01

The adsorption of selenite on goethite (alpha-FeOOH) has been analyzed with the charge distribution (CD) and the multi-site surface complexation (MUSIC) model being combined with an extended Stem (ES) layer model option. The geometry of a set of different types of hydrated iron-selenite complexes

A Classical Potential to Model the Adsorption of Biological Molecules on Oxidized Titanium Surfaces.

Science.gov (United States)

Schneider, Julian; Ciacchi, Lucio Colombi

2011-02-08

The behavior of titanium implants in physiological environments is governed by the thin oxide layer that forms spontaneously on the metal surface and mediates the interactions with adsorbate molecules. In order to study the adsorption of biomolecules on titanium in a realistic fashion, we first build up a model of an oxidized Ti surface in contact with liquid water by means of extensive first-principles molecular dynamics simulations. Taking the obtained structure as reference, we then develop a classical potential to model the Ti/TiOx/water interface. This is based on the mapping with Coulomb and Lennard-Jones potentials of the adsorption energy landscape of single water and ammonia molecules on the rutile TiO2(110) surface. The interactions with arbitrary organic molecules are obtained via standard combination rules to established biomolecular force fields. The transferability of our potential to the case of organic molecules adsorbing on the oxidized Ti surface is checked by comparing the classical potential energy surfaces of representative systems to quantum mechanical results at the level of density functional theory. Moreover, we calculate the heat of immersion of the TiO2 rutile surface and the detachment force of a single tyrosine residue from steered molecular dynamics simulations, finding good agreement with experimental reference data in both cases. As a first application, we study the adsorption behavior of the Arg-Gly-Asp (RGD) peptide on the oxidized titanium surface, focusing particularly on the calculation of the free energy of desorption.

Surface topography effects on energy-resolved polar angular distributions of electrons induced in heavy ion-Al collisions: experiments and models

International Nuclear Information System (INIS)

Mischler, J.; Banouni, M.; Banazeth, C.; Negre, M.; Benazeth, N.

1986-01-01

The influence of the surface topography on the polar angular distributions of secondary electrons emitted in Ar + (and Xe - )-Al collisions was studied. After each set of experiments, the surface target was viewed by scanning electron microscope. Under normal incidence, continuum background and Al L 23 VV Auger electron polar angular distributions were not modified by the topography and closely followed a cosine law. For Al L 23 MM Auger electrons, experimental angular distributions as a function of the emission polar angle theta, either were near a constant law or followed a decreasing law depending on the irradiation conditions. The N(theta) curves calculated from the models showed that the isotropic angular distributions obtained for electrons generated outside the crystal from a flat surface could be strongly modified by the surface topography. (author)

Layer Dependence and Light Tuning Surface Potential of 2D MoS2 on Various Substrates.

Science.gov (United States)

Li, Feng; Qi, Junjie; Xu, Minxuan; Xiao, Jiankun; Xu, Yuliang; Zhang, Xiankun; Liu, Shuo; Zhang, Yue

2017-04-01

Here surface potential of chemical vapor deposition (CVD) grown 2D MoS 2 with various layers is reported, and the effect of adherent substrate and light illumination on surface potential of monolayer MoS 2 are investigated. The surface potential of MoS 2 on Si/SiO 2 substrate decreases from 4.93 to 4.84 eV with the increase in the number of layer from 1 to 4 or more. Especially, the surface potentials of monolayer MoS 2 are strongly dependent on its adherent substrate, which are determined to be 4.55, 4.88, 4.93, 5.10, and 5.50 eV on Ag, graphene, Si/SiO 2 , Au, and Pt substrates, respectively. Light irradiation is introduced to tuning the surface potential of monolayer MoS 2 , with the increase in light intensity, the surface potential of MoS 2 on Si/SiO 2 substrate decreases from 4.93 to 4.74 eV, while increases from 5.50 to 5.56 eV on Pt substrate. The I-V curves on vertical of monolayer MoS 2 /Pt heterojunction show the decrease in current with the increase of light intensity, and Schottky barrier height at MoS 2 /Pt junctions increases from 0.302 to 0.342 eV. The changed surface potential can be explained by trapped charges on surface, photoinduced carriers, charge transfer, and local electric field. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

2D Analytical Modeling of Magnetic Vector Potential in Surface Mounted and Surface Inset Permanent Magnet Machines

Directory of Open Access Journals (Sweden)

A. Jabbari

2017-12-01

Full Text Available A 2D analytical method for magnetic vector potential calculation in inner rotor surface mounted and surface inset permanent magnet machines considering slotting effects, magnetization orientation and winding layout has been proposed in this paper. The analytical method is based on the resolution of Laplace and Poisson equations as well as Maxwell equation in quasi- Cartesian coordinate by using sub-domain method and hyperbolic functions. The developed method is applied on the performance computation of two prototypes surface mounted permanent magnet motors and two prototypes surface inset permanent magnet motors. A radial and a parallel magnetization orientation is considered for each type of motor. The results of these models are validated through FEM method.

Intrinsic potential of cell membranes: opposite effects of lipid transmembrane asymmetry and asymmetric salt ion distribution

DEFF Research Database (Denmark)

Gurtovenko, Andrey A; Vattulainen, Ilpo

2009-01-01

Using atomic-scale molecular dynamics simulations, we consider the intrinsic cell membrane potential that is found to originate from a subtle interplay between lipid transmembrane asymmetry and the asymmetric distribution of monovalent salt ions on the two sides of the cell membrane. It turns out......Cl saline solution and the PE leaflet is exposed to KCl, the outcome is that the effects of asymmetric lipid and salt ion distributions essentially cancel one another almost completely. Overall, our study highlights the complex nature of the intrinsic potential of cell membranes under physiological...... that both the asymmetric distribution of phosphatidylcholine (PC) and phosphatidylethanolamine (PE) lipids across a membrane and the asymmetric distribution of NaCl and KCl induce nonzero drops in the transmembrane potential. However, these potential drops are opposite in sign. As the PC leaflet faces a Na...

Remote Sensing of Atlanta's Urban Sprawl and the Distribution of Land Cover and Surface Temperature

Science.gov (United States)

Laymon, Charles A.; Estes, Maurice G., Jr.; Quattrochi, Dale A.; Goodman, H. Michael (Technical Monitor)

2001-01-01

Between 1973 and 1992, an average of 20 ha of forest was lost each day to urban expansion of Atlanta, Georgia. Urban surfaces have very different thermal properties than natural surfaces-storing solar energy throughout the day and continuing to release it as sensible heat well after sunset. The resulting heat island effect serves as catalysts for chemical reactions from vehicular exhaust and industrialization leading to a deterioration in air quality. In this study, high spatial resolution multispectral remote sensing data has been used to characterize the type, thermal properties, and distribution of land surface materials throughout the Atlanta metropolitan area. Ten-meter data were acquired with the Advanced Thermal and Land Applications Sensor (ATLAS) on May 11 and 12, 1997. ATLAS is a 15-channel multispectral scanner that incorporates the Landsat TM bands with additional bands in the middle reflective infrared and thermal infrared range. The high spatial resolution permitted discrimination of discrete surface types (e.g., concrete, asphalt), individual structures (e.g., buildings, houses) and their associated thermal characteristics. There is a strong temperature contrast between vegetation and anthropomorphic features. Vegetation has a modal temperature at about 20 C, whereas asphalt shingles, pavement, and buildings have a modal temperature of about 39 C. Broad-leaf vegetation classes are indistinguishable on a thermal basis alone. There is slightly more variability (+/-5 C) among the urban surfaces. Grasses, mixed vegetation and mixed urban surfaces are intermediate in temperature and are characterized by broader temperature distributions with modes of about 29 C. Thermal maps serve as a basis for understanding the distribution of "hotspots", i.e., how landscape features and urban fabric contribute the most heat to the lower atmosphere.

Acetone n-radical cation internal rotation spectrum: The torsional potential surface

International Nuclear Information System (INIS)

Shea, Dana A.; Goodman, Lionel; White, Michael G.

2000-01-01

The one color REMPI and two color ZEKE-PFI spectra of acetone-d 3 have been recorded. The 3p x Rydberg state of acetone-d 3 lies at 59 362.3 cm-1 and both of the torsional modes are visible in this spectrum. The antigearing Rydberg (a 2 ) mode, v 12 * , has a frequency of 62.5 cm-1, while the previously unobserved gearing (b 1 ) mode, v 17 * , is found at 119.1 cm-1. An ionization potential of 78 299.6 cm-1 for acetone-d 3 has been measured. In acetone-d 3 n-radical cation ground state, the fundamentals of both of the torsional modes have been observed, v 12 + at 51.0 cm-1 and v 17 + at 110.4 cm-1, while the first overtone of v 12 + has been measured at 122.4 cm-1. Deuterium shifts show that v 12 + behaves like a local C 3v rotor, but that v 17 + is canonical. Combining this data with that for acetone-d 0 and aacetone-d 6 has allowed us to fit the observed frequencies to a torsional potential energy surface based on an ab initio C 2v cation ground state geometry. This potential energy surface allows for prediction of the v 17 vibration in acetone-d 0 and acetone-d 6 . The barrier to synchronous rotation is higher in the cation ground state than in the neutral ground state, but significantly lower than in the 3s Rydberg state. The 3p x Rydberg and cation ground state potential energy surfaces are found to be very similar to each other, strongly supporting the contention that the 3p x Rydberg state has C 2v geometry and is a good model for the ion core. The altered 3s Rydberg state potential surface suggests this state has significant valence character. (c) 2000 American Institute of Physics

Fourier and granulometry methods on 3D images of soil surfaces for evaluating soil aggregate size distribution

DEFF Research Database (Denmark)

Jensen, T.; Green, O.; Munkholm, Lars Juhl

2016-01-01

The goal of this research is to present and compare two methods for evaluating soil aggregate size distribution based on high resolution 3D images of the soil surface. The methods for analyzing the images are discrete Fourier transform and granulometry. The results of these methods correlate...... with a measured weight distribution of the soil aggregates. The results have shown that it is possible to distinguish between the cultivated and the uncultivated soil surface. A sensor system suitable for capturing in-situ high resolution 3D images of the soil surface is also described. This sensor system...

An economic evaluation of the potential for distributed energy in Australia

International Nuclear Information System (INIS)

Lilley, William E.; Reedman, Luke J.; Wagner, Liam D.; Alie, Colin F.; Szatow, Anthony R.

2012-01-01

We present here economic findings from a major study by Australia's Commonwealth Scientific and Industrial Research Organisation (CSIRO) on the value of distributed energy technologies (DE; collectively demand management, energy efficiency and distributed generation) for reducing greenhouse gas emissions from Australia's energy sector (CSIRO, 2009). The study covered potential economic, environmental, technical, social, policy and regulatory impacts that could result from their wide scale adoption. Partial Equilibrium modeling of the stationary energy and transport sectors found that Australia could achieve a present value welfare gain of around $130 billion when operating under a 450 ppm carbon reduction trajectory through to 2050. Modeling also suggests that reduced volatility in the spot market could decrease average prices by up to 12% in 2030 and 65% in 2050 by using local resources to better cater for an evolving supply–demand imbalance. Further modeling suggests that even a small amount of distributed generation located within a distribution network has the potential to significantly alter electricity prices by changing the merit order of dispatch in an electricity spot market. Changes to the dispatch relative to a base case can have both positive and negative effects on network losses. - Highlights: ► Quantified impact of distributed generation (DG) on the Australian energy sector. ► Australia could achieve a welfare gain of around $130 billion through to 2050. ► Wholesale market modeling found that DG led to lower price levels and volatility. ► DG has impacts on the transmission system in terms of dispatch and system losses.

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.

Fluorescence quenching studies of potential-dependent DNA reorientation dynamics at glassy carbon electrode surfaces.

Science.gov (United States)

Li, Qin; Cui, Chenchen; Higgins, Daniel A; Li, Jun

2012-09-05

The potential-dependent reorientation dynamics of double-stranded DNA (ds-DNA) attached to planar glassy carbon electrode (GCE) surfaces were investigated. The orientation state of surface-bound ds-DNA was followed by monitoring the fluorescence from a 6-carboxyfluorescein (FAM6) fluorophore covalently linked to the distal end of the DNA. Positive potentials (i.e., +0.2 V vs open circuit potential, OCP) caused the ds-DNA to align parallel to the electrode surface, resulting in strong dipole-electrode quenching of FAM6 fluorescence. Switching of the GCE potential to negative values (i.e., -0.2 V vs OCP) caused the ds-DNA to reorient perpendicular to the electrode surface, with a concomitant increase in FAM6 fluorescence. In addition to the very fast (submilliseconds) dynamics of the initial reorientation process, slow (0.1-0.9 s) relaxation of FAM6 fluorescence to intermediate levels was also observed after potential switching. These dynamics have not been previously described in the literature. They are too slow to be explained by double layer charging, and chronoamperometry data showed no evidence of such effects. Both the amplitude and rate of the dynamics were found to depend upon buffer concentration, and ds-DNA length, demonstrating a dependence on the double layer field. The dynamics are concluded to arise from previously undetected complexities in the mechanism of potential-dependent ds-DNA reorientation. The possible origins of these dynamics are discussed. A better understanding of these dynamics will lead to improved models for potential-dependent ds-DNA reorientation at electrode surfaces and will facilitate the development of advanced electrochemical devices for detection of target DNAs.

Internal state distributions of molecules scattering and desorbing from surfaces

International Nuclear Information System (INIS)

Auerbach, D.J.

1983-01-01

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

The sea surface currents as a potential factor in the estimation and monitoring of wave energy potential

Science.gov (United States)

Zodiatis, George; Galanis, George; Nikolaidis, Andreas; Stylianoy, Stavros; Liakatas, Aristotelis

2015-04-01

The use of wave energy as an alternative renewable is receiving attention the last years under the shadow of the economic crisis in Europe and in the light of the promising corresponding potential especially for countries with extended coastline. Monitoring and studying the corresponding resources is further supported by a number of critical advantages of wave energy compared to other renewable forms, like the reduced variability and the easier adaptation to the general grid, especially when is jointly approached with wind power. Within the framework, a number of countries worldwide have launched research and development projects and a significant number of corresponding studies have been presented the last decades. However, in most of them the impact of wave-sea surface currents interaction on the wave energy potential has not been taken into account neglecting in this way a factor of potential importance. The present work aims at filling this gap for a sea area with increased scientific and economic interest, the Eastern Mediterranean Sea. Based on a combination of high resolution numerical modeling approach with advanced statistical tools, a detailed analysis is proposed for the quantification of the impact of sea surface currents, which produced from downscaling the MyOcean-FO regional data, to wave energy potential. The results although spatially sensitive, as expected, prove beyond any doubt that the wave- sea surface currents interaction should be taken into account for similar resource analysis and site selection approaches since the percentage of impact to the available wave power may reach or even exceed 20% at selected areas.

Electrostatic force microscopy on oriented graphite surfaces: coexistence of insulating and conducting behaviors.

Science.gov (United States)

Lu, Yonghua; Muñoz, M; Steplecaru, C S; Hao, Cheng; Bai, Ming; Garcia, N; Schindler, K; Esquinazi, P

2006-08-18

We present measurements of the electric potential fluctuations on the surface of highly oriented pyrolytic graphite using electrostatic force and atomic force microscopy. Micrometric domainlike potential distributions are observed even when the sample is grounded. Such potential distributions are unexpected given the good metallic conductivity of graphite because the surface should be an equipotential. Our results indicate the coexistence of regions with "metalliclike" and "insulatinglike" behaviors showing large potential fluctuations of the order of 0.25 V. In lower quality graphite, this effect is not observed. Experiments are performed in Ar and air atmospheres.

Evaluation of interatomic potentials for rainbow scattering under axial channeling at KCl(0 0 1) surface by three-dimensional computer simulations based on binary collision approximation

Energy Technology Data Exchange (ETDEWEB)

Takeuchi, Wataru, E-mail: take@sp.ous.ac.jp

2017-05-01

The rainbow angles corresponding to prominent peaks in the angular distributions of scattered projectiles with small angle, attributed to rainbow scattering (RS), under axial surface channeling conditions are strongly influenced by the interatomic potentials between projectiles and target atoms. The dependence of rainbow angles on normal energy of projectile energy to the target surface, being experimentally obtained by Specht et al. for RS of He, N, Ne and Ar atoms under 〈1 0 0〉 and 〈1 1 0〉 axial channeling conditions at a KCl(0 0 1) surface with projectile energies of 1–60 keV, was evaluated by the three-dimensional computer simulations using the ACOCT code based on the binary collision approximation with interatomic pair potentials. Good agreement between the ACOCT results using the ZBL pair potential and the individual pair potentials calculated from Hartree-Fock (HF) wave functions and the experimental ones was found for RS of He, N and Ne atoms from the atomic rows along 〈1 0 0〉 direction. For 〈1 1 0〉 direction, the ACOCT results employing the Moliere pair potential with adjustable screening length of O’Connor-Biersack (OB) formula, the ZBL pair potential and the individual HF pair potentials except for Ar → KCl using the OB pair potential are nearly in agreement with the experimental ones.

Simulation of net infiltration and potential recharge using a distributed-parameter watershed model of the Death Valley region, Nevada and California

Science.gov (United States)

Hevesi, Joseph A.; Flint, Alan L.; Flint, Lorraine E.

2003-01-01

(as either rain or snow), snow accumulation, sublimation, snowmelt, infiltration into the root zone, evapotranspiration, drainage, water content change throughout the root-zone profile (represented as a 6-layered system), runoff (defined as excess rainfall and snowmelt) and surface water run-on (defined as runoff that is routed downstream), and net infiltration (simulated as drainage from the bottom root-zone layer). Potential evapotranspiration is simulated using an hourly solar radiation model to simulate daily net radiation, and daily evapotranspiration is simulated as an empirical function of root zone water content and potential evapotranspiration. The model uses daily climate records of precipitation and air temperature from a regionally distributed network of 132 climate stations and a spatially distributed representation of drainage basin characteristics defined by topography, geology, soils, and vegetation to simulate daily net infiltration at all locations, including stream channels with intermittent streamflow in response to runoff from rain and snowmelt. The temporal distribution of daily, monthly, and annual net infiltration can be used to evaluate the potential effect of future climatic conditions on potential recharge. The INFILv3 model inputs representing drainage basin characteristics were developed using a geographic information system (GIS) to define a set of spatially distributed input parameters uniquely assigned to each grid cell of the INFILv3 model grid. The model grid, which was defined by a digital elevation model (DEM) of the Death Valley region, consists of 1,252,418 model grid cells with a uniform grid cell dimension of 278.5 meters in the north-south and east-west directions. The elevation values from the DEM were used with monthly regression models developed from the daily climate data to estimate the spatial distribution of daily precipitation and air temperature. The elevation values were also used to simulate atmosp

Study of temperature distribution of pipes heated by moving rectangular gauss distribution heat source. Development of pipe outer surface irradiated laser stress improvement process (L-SIP)

International Nuclear Information System (INIS)

Ohta, Takahiro; Kamo, Kazuhiko; Asada, Seiji; Terasaki, Toshio

2009-01-01

The new process called L-SIP (outer surface irradiated Laser Stress Improvement Process) is developed to improve the tensile residual stress of the inner surface near the butt welded joints of pipes in the compression stress. The temperature gradient occurs in the thickness of pipes in heating the outer surface rapidly by laser beam. By the thermal expansion difference between the inner surface and the outer surface, the compression stress occurs near the inner surface of pipes. In this paper, the theoretical equation for the temperature distributions of pipes heated by moving rectangular Gauss distribution heat source on the outer surface is derived. The temperature histories of pipes calculated by theoretical equation agree well with FEM analysis results. According to the theoretical equation, the controlling parameters of temperature distributions and histories are q/2a y , vh, a x /h and a y /h, where q is total heat input, a y is heat source length in the axial direction, a x is Gaussian radius of heat source in the hoop direction, ν is moving velocity, and h is thickness of the pipe. The essential variables for L-SIP, which are defined on the basis of the measured temperature histories on the outer surface of the pipe, are Tmax, F 0 =kτ 0 /h 2 , vh, W Q and L Q , where Tmax is maximum temperature on the monitor point of the outer surface, k is thermal diffusivity coefficient, τ 0 is the temperature rise time from 100degC to maximum temperature on the monitor point of the outer surface, W Q is τ 0 x ν, and L Q is the uniform temperature length in the axial direction. It is verified that the essential variables for L-SIP match the controlling parameters by the theoretical equation. (author)

Potentiating the antibacterial effect of silver nanospheres by surface-capping with chlorhexidine gluconate

Energy Technology Data Exchange (ETDEWEB)

Priyadarshini, Balasankar Meera; Fawzy, Amr S., E-mail: denasfmf@nus.edu.sg [National University of Singapore, Discipline of Oral Sciences, Faculty of Dentistry (Singapore)

2017-04-15

In this work, the commercial polyvinylpyrrolidone (PVP)-capped silver nanospheres (Ag-NSP) were surface decorated with chlorhexidine gluconate (CHXg) for potentiating the antibacterial properties of Ag-NSP. Different formulations of CHXg-loaded Ag-NSP (Ag-NSP/CHXg) were prepared by varying the incubation times (0.5, 1.5, and 3 h). A thorough characterization of Ag-NSP/CHXg nanospheres has been carried out by dynamic light scattering (DLS), transmission electron microscopy (TEM), energy-dispersive surface elemental composition spectral analysis (SEM/EDX), Fourier transform infrared spectroscopy (FTIR), percentage (%) CHXg loading efficiency (LE), in vitro CHXg and Ag{sup +} ion release, antibacterial/biofilm inhibition assay, and human mesenchymal stem cells (hMSCs) cytotoxicity evaluation. DLS measured nanospheres to be <160 nm and indicated that CHXg treatment drastically shifted the surface charge from negative to high positive values, with homogenous distribution. TEM revealed spherical Ag-NSP/CHXg nanospheres with a clearly visible surface coating of CHXg. FTIR confirmed association of CHXg with Ag-NSP nanospheres, whereas SEM/EDX data verified presence of spectral peaks specific to silver (Ag), CHXg, and PVP. The %LE gradually increased with increasing incubation times. In vitro CHXg release exhibited a bi-phasic fashion showing maximum release of ~74.83 ± 20.67% from Ag-NSP/CHXg-3h at 14 days. A slow release of Ag{sup +} ions was detected; however, the surface decoration of Ag-NSP substantially hampered/restricted the liberation of ions. Agar well diffusion, MTS (3-(4,5-dimethylthiazol-2-yl)-5-(3-carboxymethoxyphenyl)-2-(4-sulfophenyl) -2H–tetrazolium), and crystal violet assay suggested good antibacterial/antibiofilm activity of Ag-NSP/CHXg that correlated with the increasing %LE of nanospheres. hMSCs cytotoxicity study showed low toxicity properties of all nanosphere formulations, except for Ag-NSP/CHXg-3h, affecting the cell viability at all

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.

Impact of organic overlayers on a-Si:H/c-Si surface potential

KAUST Repository

Seif, Johannes P.; Niesen, Bjoern; Tomasi, Andrea; Ballif, Christophe; De Wolf, Stefaan

2017-01-01

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.

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

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.

Interaction of landscape varibles on the potential geographical distribution of parrots in the Yucatan Peninsula, Mexico

Directory of Open Access Journals (Sweden)

Plasencia–Vázquez, A. H.

2014-12-01

Full Text Available The loss, degradation, and fragmentation of forested areas are endangering parrot populations. In this study, we determined the influence of fragmentation in relation to vegetation cover, land use, and spatial configuration of fragments on the potential geographical distribution patterns of parrots in the Yucatan Peninsula, Mexico. We used the potential geographical distribution for eight parrot species, considering the recently published maps obtained with the maximum entropy algorithm, and we incorporated the probability distribution for each species. We calculated 71 metrics/variables that evaluate forest fragmentation, spatial configuration of fragments, the ratio occupied by vegetation, and the land use in 100 plots of approximately 29 km², randomly distributed within the presence and absence areas predicted for each species. We also considered the relationship between environmental variables and the distribution probability of species. We used a partial least squares regression to explore patterns between the variables used and the potential distribution models. None of the environmental variables analyzed alone determined the presence/absence or the probability distribution of parrots in the Peninsula. We found that for the eight species, either due to the presence/absence or the probability distribution, the most important explanatory variables were the interaction among three variables, particularly the interactions among the total forest area, the total edge, and the tropical semi–evergreen medium– height forest. Habitat fragmentation influenced the potential geographical distribution of these species in terms of the characteristics of other environmental factors that are expressed together with the geographical division, such as the different vegetation cover ratio and land uses in deforested areas.

Hydro power potentials of water distribution networks in public universities: A case study

Directory of Open Access Journals (Sweden)

Olufemi Adebola KOYA

2017-06-01

Full Text Available Public Universities in Southwestern Nigeria are densely populated student-resident campuses, so that provision of regular potable water and electricity are important, but power supply is not optimally available for all the necessary activities. This study assesses the hydropower potential of the water distribution networks in the Universities, with the view to augmenting the inadequate power supplies. The institutions with water distribution configuration capable of accommodating in-pipe turbine are identified; the hydropower parameters, such as the flow characteristics and the pipe geometry are determined to estimate the water power. Global positioning device is used in estimating the elevations of the distribution reservoirs and the nodal points. The hydropower potential of each location is computed incorporating Lucid® Lift-based spherical turbine in the pipeline. From the analysis, the lean and the peak water power are between 1.92 – 3.30 kW and 3.95 – 7.24 kW, respectively, for reservoir-fed distribution networks; while, a minimum of 0.72 kW is got for pipelines associated with borehole-fed overhead tanks. Possible applications of electricity generation from the water distribution networks of the public universities are recommended.

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)

Modeling the potential distribution of three lichens of the Xanthoparmelia pulla group (Parmeliaceae, Ascomycota in Central Europe

Directory of Open Access Journals (Sweden)

Katarzyna Szczepańska

2015-12-01

Full Text Available The paper presents models of potential geographical distribution of Xanthoparmelia delisei, X. loxodes, and X. verruculifera in Central Europe. The models were developed with MaxEnt (maximum entropy algorithm based on 224 collection localities and bioclimatic variables. The applied method enabled to identify the areas where climatic conditions are the most suitable for modeled species outside their known localities. According to obtained model, high potential distribution of the X. delisei and X. loxodes was found in the northern and northeastern Poland, when areas most suitable for X. verruculifera were placed in the south, especially in the Carpathians. Model also suggests that potential distribution of X. delisei could be wider than known data on its occurrence and extend to Lithuania, Belarus and the Czech Republic. MaxEnt modeling of X. loxodes showed the widest potential distribution for this species in Central Europe with the best regions in Lithuania. Potential distribution in all models was strongly influenced by precipitation-related variables. All the modelled species prefer areas where precipitation in the coldest quarter is very low.

The nucleon-nucleon correlations and the integral characteristics of the potential distributions in nuclei

International Nuclear Information System (INIS)

Knyaz'kov, O.M.; Kukhtina, I.N.

1989-01-01

The integral characteristics of the potential distribution in nuclei, namely the volume integrals, moments and mean square radii are studied in the framework of the semimicroscopic approach to the interaction of low energy nucleons with nuclei on the base of the exchange nucleon-nucleon correlations and the density dependence of effective forces. The ratio of the normalized multipole moments of potential and matter distributions is investigated. The energy dependence of the integral characteristics is analyzed. 15 refs.; 2 tabs

The geographic distribution of strontium isotopes in Danish surface waters - A base for provenance studies in archaeology, hydrology and agriculture

Energy Technology Data Exchange (ETDEWEB)

Frei, Karin M., E-mail: kmfrei@hum.ku.dk [Danish National Research Foundation Centre for Textile Research, SAXO Institute, University of Copenhagen, Njalsgade 80, DK-2300 Copenhagen (Denmark); Frei, Robert [Institute of Geography and Geology and Nordic Center for Earth Evolution (NordCEE), University of Copenhagen, Oster Voldgade 10, DK-1350 Copenhagen (Denmark)

2011-03-15

Research highlights: {yields} Strontium isotope data of 192 surface waters from Denmark. {yields} Geographic baseline distribution of bio-available fractions. {yields} Applicable for provenance studies within archaeology, geology, agriculture and hydrology. {yields} Proposal of a band of strontium isotope values to characterize 'local' Danish signatures. - Abstract: In this paper Sr isotope signatures are reported for 192 surface water (lakes/ponds and rivers/creeks) samples from within Denmark and an isotope distribution map is presented that may serve as a base for provenance applications, including archaeological migration studies, ground water - surface water - seawater interaction/contamination monitoring, and potentially for agricultural applications, including cases of authenticity proof for particular food products. The Sr isotopic compositions of surface waters range from {sup 87}Sr/{sup 86}Sr = 0.7078 to 0.7125 (average 0.7096 {+-} 0.0016; 2{sigma}). This average value lies above the range of {sup 87}Sr/{sup 86}Sr values between 0.7078 and 0.7082 expected from Late Cretaceous to Early Tertiary (Oligocene) limestones which form the dominant bedrock type in a NW-SE trending belt in Denmark. The elevated {sup 87}Sr/{sup 86}Sr signatures >{approx}0.7095 are explained by additions to the surface waters of radiogenic Sr predominantly derived from the near-surface weathering and wash-out of Quarternary glaciogenic tills and soils deposited and formed during and after the last two ice age stages (Saale and Weichsel). The Sr isotopic compositions and concentrations of the surface waters can, therefore, best be modeled by a two-component mixing involving carbonaceous bedrock and glaciogenic cover sediments as the two predominant Sr sources. A feasibility study for using Sr isotopic compositions of surface waters as a proxy for bio-available Sr signatures was conducted in a representative test area on Zealand (Land of Legends, Lejre) where there is no use

The geographic distribution of strontium isotopes in Danish surface waters - A base for provenance studies in archaeology, hydrology and agriculture

International Nuclear Information System (INIS)

Frei, Karin M.; Frei, Robert

2011-01-01

Research highlights: → Strontium isotope data of 192 surface waters from Denmark. → Geographic baseline distribution of bio-available fractions. → Applicable for provenance studies within archaeology, geology, agriculture and hydrology. → Proposal of a band of strontium isotope values to characterize 'local' Danish signatures. - Abstract: In this paper Sr isotope signatures are reported for 192 surface water (lakes/ponds and rivers/creeks) samples from within Denmark and an isotope distribution map is presented that may serve as a base for provenance applications, including archaeological migration studies, ground water - surface water - seawater interaction/contamination monitoring, and potentially for agricultural applications, including cases of authenticity proof for particular food products. The Sr isotopic compositions of surface waters range from 87 Sr/ 86 Sr = 0.7078 to 0.7125 (average 0.7096 ± 0.0016; 2σ). This average value lies above the range of 87 Sr/ 86 Sr values between 0.7078 and 0.7082 expected from Late Cretaceous to Early Tertiary (Oligocene) limestones which form the dominant bedrock type in a NW-SE trending belt in Denmark. The elevated 87 Sr/ 86 Sr signatures >∼0.7095 are explained by additions to the surface waters of radiogenic Sr predominantly derived from the near-surface weathering and wash-out of Quarternary glaciogenic tills and soils deposited and formed during and after the last two ice age stages (Saale and Weichsel). The Sr isotopic compositions and concentrations of the surface waters can, therefore, best be modeled by a two-component mixing involving carbonaceous bedrock and glaciogenic cover sediments as the two predominant Sr sources. A feasibility study for using Sr isotopic compositions of surface waters as a proxy for bio-available Sr signatures was conducted in a representative test area on Zealand (Land of Legends, Lejre) where there is no use and application of commercial fertilizers. It is demonstrated that

Remote Sensing of Atlanta's Urban Sprawl and the Distribution of Land Cover and Surface Temperatures

Science.gov (United States)

Laymon, Charles A.; Estes, Maurice G., Jr.; Quattrochi, Dale A.; Arnold, James E. (Technical Monitor)

2001-01-01

Between 1973 and 1992, an average of 20 ha of forest was lost each day to urban expansion of Atlanta, Georgia. Urban surfaces have very different thermal properties than natural surfaces-storing solar energy throughout the day and continuing to release it as sensible heat well after sunset. The resulting heat island effect serves as catalysts for chemical reactions from vehicular exhaust and industrialization leading to a deterioration in air quality. In this study, high spatial resolution multispectral remote sensing data has been used to characterize the type, thermal properties, and distribution of land surface materials throughout the Atlanta metropolitan area. Ten-meter data were acquired with the Advanced Thermal and Land Applications Sensor (ATLAS) on May 11 and 12, 1997. ATLAS is a 15-channel multispectral scanner that incorporates the Landsat TM bands with additional bands in the middle reflective infrared and thermal infrared range. The high spatial resolution permitted discrimination of discrete surface types (e.g., concrete, asphalt), individual structures (e.g., buildings, houses) and their associated thermal characteristics. There is a strong temperature contrast between vegetation and anthropomorphic features. Vegetation has a modal temperature at about 20 C, whereas asphalt shingles, pavement, and buildings have a modal temperature of about 39 C. Broad-leaf vegetation classes are indistinguishable on a thermal basis alone. There is slightly more variability (plus or minus 5 C) among the urban surfaces. Grasses, mixed vegetation and mixed urban surfaces are intermediate in temperature and are characterized by broader temperature distributions with modes of about 29 C. Thermal maps serve as a basis for understanding the distribution of "hotspots", i.e., how landscape features and urban fabric contribute the most heat to the lower atmosphere.

The hydrogen abstraction reaction O(3P) + CH4: A new analytical potential energy surface based on fit to ab initio calculations

International Nuclear Information System (INIS)

González-Lavado, Eloisa; Corchado, Jose C.; Espinosa-Garcia, Joaquin

2014-01-01

Based exclusively on high-level ab initio calculations, a new full-dimensional analytical potential energy surface (PES-2014) for the gas-phase reaction of hydrogen abstraction from methane by an oxygen atom is developed. The ab initio information employed in the fit includes properties (equilibrium geometries, relative energies, and vibrational frequencies) of the reactants, products, saddle point, points on the reaction path, and points on the reaction swath, taking especial caution respecting the location and characterization of the intermediate complexes in the entrance and exit channels. By comparing with the reference results we show that the resulting PES-2014 reproduces reasonably well the whole set of ab initio data used in the fitting, obtained at the CCSD(T) = FULL/aug-cc-pVQZ//CCSD(T) = FC/cc-pVTZ single point level, which represents a severe test of the new surface. As a first application, on this analytical surface we perform an extensive dynamics study using quasi-classical trajectory calculations, comparing the results with recent experimental and theoretical data. The excitation function increases with energy (concave-up) reproducing experimental and theoretical information, although our values are somewhat larger. The OH rotovibrational distribution is cold in agreement with experiment. Finally, our results reproduce experimental backward scattering distribution, associated to a rebound mechanism. These results lend confidence to the accuracy of the new surface, which substantially improves the results obtained with our previous surface (PES-2000) for the same system

Electrons on the surface of liquid helium

International Nuclear Information System (INIS)

Lambert, D.K.

1979-05-01

Spectroscopic techniques were used to study transitions of electrons between bound states in the potential well near a helium surface. The charge density distribution of electrons on the surface was independently obtained from electrical measurements. From the measurements, information was obtained both about the interaction of the bound state electrons with the surface of liquid helium and about local disorder in the positions of electrons on the surface

Probing surface charge potentials of clay basal planes and edges by direct force measurements.

Science.gov (United States)

Zhao, Hongying; Bhattacharjee, Subir; Chow, Ross; Wallace, Dean; Masliyah, Jacob H; Xu, Zhenghe

2008-11-18

The dispersion and gelation of clay suspensions have major impact on a number of industries, such as ceramic and composite materials processing, paper making, cement production, and consumer product formulation. To fundamentally understand controlling mechanisms of clay dispersion and gelation, it is necessary to study anisotropic surface charge properties and colloidal interactions of clay particles. In this study, a colloidal probe technique was employed to study the interaction forces between a silica probe and clay basal plane/edge surfaces. A muscovite mica was used as a representative of 2:1 phyllosilicate clay minerals. The muscovite basal plane was prepared by cleavage, while the edge surface was obtained by a microtome cutting technique. Direct force measurements demonstrated the anisotropic surface charge properties of the basal plane and edge surface. For the basal plane, the long-range forces were monotonically repulsive within pH 6-10 and the measured forces were pH-independent, thereby confirming that clay basal planes have permanent surface charge from isomorphic substitution of lattice elements. The measured interaction forces were fitted well with the classical DLVO theory. The surface potentials of muscovite basal plane derived from the measured force profiles were in good agreement with those reported in the literature. In the case of edge surfaces, the measured forces were monotonically repulsive at pH 10, decreasing with pH, and changed to be attractive at pH 5.6, strongly suggesting that the charge on the clay edge surfaces is pH-dependent. The measured force profiles could not be reasonably fitted with the classical DLVO theory, even with very small surface potential values, unless the surface roughness was considered. The surface element integration (SEI) method was used to calculate the DLVO forces to account for the surface roughness. The surface potentials of the muscovite edges were derived by fitting the measured force profiles with the

STUDY OF STATIC ELECTRICITY CHARGE ACCUMULATION ON SURFACE OF FLUOROPOLYMER-4 PRODUCTS USING VIBRATING CAPACITOR METHOD

Directory of Open Access Journals (Sweden)

H. А. Vershina

2012-01-01

Full Text Available The paper presents investigations of processes pertaining to surface charge accumulation and running of fluoropolymer-4 products using vibrating capacitor method. Modification of a measurement technique allowing to register distribution of dielectric surface potential without disturbance of the surface charged state has been described in the paper. The paper contains graphics of spatial distribution of surface potential of fluoropolymer-4 products after various treatments. The paper reveals that thermal treatment (tempering reduces static characteristics of fluoropolymer-4.

Determination of Nerve Fiber Diameter Distribution From Compound Action Potential: A Continuous Approach.

Science.gov (United States)

Un, M Kerem; Kaghazchi, Hamed

2018-01-01

When a signal is initiated in the nerve, it is transmitted along each nerve fiber via an action potential (called single fiber action potential (SFAP)) which travels with a velocity that is related with the diameter of the fiber. The additive superposition of SFAPs constitutes the compound action potential (CAP) of the nerve. The fiber diameter distribution (FDD) in the nerve can be computed from the CAP data by solving an inverse problem. This is usually achieved by dividing the fibers into a finite number of diameter groups and solve a corresponding linear system to optimize FDD. However, number of fibers in a nerve can be measured sometimes in thousands and it is possible to assume a continuous distribution for the fiber diameters which leads to a gradient optimization problem. In this paper, we have evaluated this continuous approach to the solution of the inverse problem. We have utilized an analytical function for SFAP and an assumed a polynomial form for FDD. The inverse problem involves the optimization of polynomial coefficients to obtain the best estimate for the FDD. We have observed that an eighth order polynomial for FDD can capture both unimodal and bimodal fiber distributions present in vivo, even in case of noisy CAP data. The assumed FDD distribution regularizes the ill-conditioned inverse problem and produces good results.

Intermolecular potential energy surface and thermophysical properties of propane.

Science.gov (United States)

Hellmann, Robert

2017-03-21

A six-dimensional potential energy surface (PES) for the interaction of two rigid propane molecules was determined from supermolecular ab initio calculations up to the coupled cluster with single, double, and perturbative triple excitations level of theory for 9452 configurations. An analytical site-site potential function with 14 sites per molecule was fitted to the calculated interaction energies. To validate the analytical PES, the second virial coefficient and the dilute gas shear viscosity and thermal conductivity of propane were computed. The dispersion part of the potential function was slightly adjusted such that quantitative agreement with the most accurate experimental data for the second virial coefficient at room temperature was achieved. The adjusted PES yields values for the three properties that are in very good agreement with the best experimental data at all temperatures.

Extraction of potential energy in charge asymmetry coordinate from experimental fission data

Energy Technology Data Exchange (ETDEWEB)

Pasca, H. [Joint Institute for Nuclear Research, Dubna (Russian Federation); ' ' Babes-Bolyai' ' Univ., Cluj-Napoca (Romania); Andreev, A.V.; Adamian, G.G. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Antonenko, N.V. [Joint Institute for Nuclear Research, Dubna (Russian Federation); Tomsk Polytechnic Univ. (Russian Federation). Mathematical Physics Dept.

2016-12-15

For fissioning isotopes of Ra, Ac, Th, Pa, and U, the potential energies as a function of the charge asymmetry coordinate are extracted from the experimental charge distributions of the fission fragment and compared with the calculated scission-point driving potentials. The role of the potential energy surfaces in the description of the fission charge distribution is discussed. (orig.)

Efficient and Adaptive Methods for Computing Accurate Potential Surfaces for Quantum Nuclear Effects: Applications to Hydrogen-Transfer Reactions.

Science.gov (United States)

DeGregorio, Nicole; Iyengar, Srinivasan S

2018-01-09

We present two sampling measures to gauge critical regions of potential energy surfaces. These sampling measures employ (a) the instantaneous quantum wavepacket density, an approximation to the (b) potential surface, its (c) gradients, and (d) a Shannon information theory based expression that estimates the local entropy associated with the quantum wavepacket. These four criteria together enable a directed sampling of potential surfaces that appears to correctly describe the local oscillation frequencies, or the local Nyquist frequency, of a potential surface. The sampling functions are then utilized to derive a tessellation scheme that discretizes the multidimensional space to enable efficient sampling of potential surfaces. The sampled potential surface is then combined with four different interpolation procedures, namely, (a) local Hermite curve interpolation, (b) low-pass filtered Lagrange interpolation, (c) the monomial symmetrization approximation (MSA) developed by Bowman and co-workers, and (d) a modified Shepard algorithm. The sampling procedure and the fitting schemes are used to compute (a) potential surfaces in highly anharmonic hydrogen-bonded systems and (b) study hydrogen-transfer reactions in biogenic volatile organic compounds (isoprene) where the transferring hydrogen atom is found to demonstrate critical quantum nuclear effects. In the case of isoprene, the algorithm discussed here is used to derive multidimensional potential surfaces along a hydrogen-transfer reaction path to gauge the effect of quantum-nuclear degrees of freedom on the hydrogen-transfer process. Based on the decreased computational effort, facilitated by the optimal sampling of the potential surfaces through the use of sampling functions discussed here, and the accuracy of the associated potential surfaces, we believe the method will find great utility in the study of quantum nuclear dynamics problems, of which application to hydrogen-transfer reactions and hydrogen

Three dimensional classical theory of rainbow scattering of atoms from surfaces

International Nuclear Information System (INIS)

Pollak, Eli; Miret-Artes, Salvador

2010-01-01

Graphical abstract: In this work, we extend to three dimensions our previous stochastic classical theory on surface rainbow scattering. The stochastic phonon bath is modeled in terms of linear coupling of the phonon modes to the motion of the scattered particle. We take into account the three polarizations of the phonons. Closed formulae are derived for the angular and energy loss distributions. They are readily implemented when assuming that the vertical interaction with the surface is described by a Morse potential. The hard wall limit of the theory is derived and applied to some model corrugated potentials. We find that rainbow structure of the scattered angular distribution reflects the underlying symmetries of the surface. We also distinguish between 'normal rainbows' and 'super rainbows'. The latter occur when the two eigenvalues of the Hessian of the corrugation function vanish simultaneously. - Abstract: In this work, we extend to three dimensions our previous stochastic classical theory on surface rainbow scattering. The stochastic phonon bath is modeled in terms of linear coupling of the phonon modes to the motion of the scattered particle. We take into account the three polarizations of the phonons. Closed formulae are derived for the angular and energy loss distributions. They are readily implemented when assuming that the vertical interaction with the surface is described by a Morse potential. The hard wall limit of the theory is derived and applied to some model corrugated potentials. We find that rainbow structure of the scattered angular distribution reflects the underlying symmetries of the surface. We also distinguish between 'normal rainbows' and 'super rainbows'. The latter occur when the two eigenvalues of the Hessian of the corrugation function vanish simultaneously.

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).

Seasonal and spatial distribution of metals in surface sediment of an urban estuary

International Nuclear Information System (INIS)

Buggy, Conor J.; Tobin, John M.

2008-01-01

Aquatic pollution by metals is of concern because of various toxic effects to marine life. The Tolka Estuary, Co. Dublin, Ireland, is a typical Irish urban estuary. It has a significant metal loading originating from the urban environment. Results of a 25 month analysis of cadmium, copper, lead and zinc spatial and temporal distribution over 10 sample locations in this estuary are presented in this paper. Metal concentrations were analysed using differential pulse polarography. Significant seasonal and spatial trends in metal distribution were observed over the 25 months. Sediment metal concentrations gradually increased (30-120%) in spring to a maximum at the end of summer which was followed by a decrease in winter months (30-60%). Sediment organic matter (OM) concentrations exhibited similar seasonal trends and a positive correlation between OM and metal distributions was observed, implying OM had an influence on metal distributions over time. - Assessment and correlation of the seasonal and spatial distribution of metals and organic matter in surface sediment of an urban estuary

The overlapping distribution method to compute chemical potentials of chain molecules

NARCIS (Netherlands)

Mooij, G.C.A.M.; Frenkel, D.

1994-01-01

The chemical potential of continuously deformable chain molecules can be estimated by measuring the average Rosenbluth weight associated with the virtual insertion of a molecule. We show how to generalize the overlapping-distribution method of Bennett to histograms of Rosenbluth weights. In this way

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.

THE COMPARATIVE ANALYSIS OF TWO DIFFERENT STATISTICAL DISTRIBUTIONS USED TO ESTIMATE THE WIND ENERGY POTENTIAL

Directory of Open Access Journals (Sweden)

Mehmet KURBAN

2007-01-01

Full Text Available In this paper, the wind energy potential of the region is analyzed with Weibull and Reyleigh statistical distribution functions by using the wind speed data measured per 15 seconds in July, August, September, and October of 2005 at 10 m height of 30-m observation pole in the wind observation station constructed in the coverage of the scientific research project titled "The Construction of Hybrid (Wind-Solar Power Plant Model by Determining the Wind and Solar Potential in the Iki Eylul Campus of A.U." supported by Anadolu University. The Maximum likelihood method is used for finding the parameters of these distributions. The conclusion of the analysis for the months taken represents that the Weibull distribution models the wind speeds better than the Rayleigh distribution. Furthermore, the error rate in the monthly values of power density computed by using the Weibull distribution is smaller than the values by Rayleigh distribution.

Influences of climate change on the potential distribution of Lutzomyia longipalpis sensu lato (Psychodidae: Phlebotominae).

Science.gov (United States)

Peterson, A Townsend; Campbell, Lindsay P; Moo-Llanes, David A; Travi, Bruno; González, Camila; Ferro, María Cristina; Ferreira, Gabriel Eduardo Melim; Brandão-Filho, Sinval P; Cupolillo, Elisa; Ramsey, Janine; Leffer, Andreia Mauruto Chernaki; Pech-May, Angélica; Shaw, Jeffrey J

2017-09-01

This study explores the present day distribution of Lutzomyia longipalpis in relation to climate, and transfers the knowledge gained to likely future climatic conditions to predict changes in the species' potential distribution. We used ecological niche models calibrated based on occurrences of the species complex from across its known geographic range. Anticipated distributional changes varied by region, from stability to expansion or decline. Overall, models indicated no significant north-south expansion beyond present boundaries. However, some areas suitable both at present and in the future (e.g., Pacific coast of Ecuador and Peru) may offer opportunities for distributional expansion. Our models anticipated potential range expansion in southern Brazil and Argentina, but were variably successful in anticipating specific cases. The most significant climate-related change anticipated in the species' range was with regard to range continuity in the Amazon Basin, which is likely to increase in coming decades. Rather than making detailed forecasts of actual locations where Lu. longipalpis will appear in coming years, our models make interesting and potentially important predictions of broader-scale distributional tendencies that can inform heath policy and mitigation efforts. Copyright © 2017 Australian Society for Parasitology. Published by Elsevier Ltd. All rights reserved.

Contrasting optical properties of surface waters across the Fram Strait and its potential biological implications

DEFF Research Database (Denmark)

Pavlov, Alexey K.; Granskog, Mats A.; Stedmon, Colin A.

2015-01-01

radiation (PAR, 400-700nm), but does result in notable differences in ultraviolet (UV) light penetration, with higher attenuation in the EGC. Future changes in the Arctic Ocean system will likely affect EGC through diminishing sea-ice cover and potentially increasing CDOM export due to increase in river......Underwater light regime is controlled by distribution and optical properties of colored dissolved organic matter (CDOM) and particulate matter. The Fram Strait is a region where two contrasting water masses are found. Polar water in the East Greenland Current (EGC) and Atlantic water in the West...... Spitsbergen Current (WSC) differ with regards to temperature, salinity and optical properties. We present data on absorption properties of CDOM and particles across the Fram Strait (along 79° N), comparing Polar and Atlantic surface waters in September 2009 and 2010. CDOM absorption of Polar water in the EGC...

Characterizing water-metal interfaces and machine learning potential energy surfaces

Science.gov (United States)

Ryczko, Kevin

In this thesis, we first discuss the fundamentals of ab initio electronic structure theory and density functional theory (DFT). We also discuss statistics related to computing thermodynamic averages of molecular dynamics (MD). We then use this theory to analyze and compare the structural, dynamical, and electronic properties of liquid water next to prototypical metals including platinum, graphite, and graphene. Our results are built on Born-Oppenheimer molecular dynamics (BOMD) generated using density functional theory (DFT) which explicitly include van der Waals (vdW) interactions within a first principles approach. All calculations reported use large simulation cells, allowing for an accurate treatment of the water-electrode interfaces. We have included vdW interactions through the use of the optB86b-vdW exchange correlation functional. Comparisons with the Perdew-Burke-Ernzerhof (PBE) exchange correlation functional are also shown. We find an initial peak, due to chemisorption, in the density profile of the liquid water-Pt interface not seen in the liquid water-graphite interface, liquid watergraphene interface, nor interfaces studied previously. To further investigate this chemisorption peak, we also report differences in the electronic structure of single water molecules on both Pt and graphite surfaces. We find that a covalent bond forms between the single water molecule and the platinum surface, but not between the single water molecule and the graphite surface. We also discuss the effects that defects and dopants in the graphite and graphene surfaces have on the structure and dynamics of liquid water. Lastly, we introduce artificial neural networks (ANNs), and demonstrate how they can be used to machine learn electronic structure calculations. As a proof of principle, we show the success of an ANN potential energy surfaces for a dimer molecule with a Lennard-Jones potential.

Effect of antimony nano-scale surface-structures on a GaSb/AlAsSb distributed Bragg reflector

International Nuclear Information System (INIS)

Husaini, S.; Shima, D.; Ahirwar, P.; Rotter, T. J.; Hains, C. P.; Dang, T.; Bedford, R. G.; Balakrishnan, G.

2013-01-01

Effects of antimony crystallization on the surface of GaSb during low temperature molecular beam epitaxy growth are investigated. The geometry of these structures is studied via transmission electron and atomic force microscopies, which show the surface metal forms triangular-shaped, elongated nano-wires with a structured orientation composed entirely of crystalline antimony. By depositing antimony on a GaSb/AlAsSb distributed Bragg reflector, the field is localized within the antimony layer. Polarization dependent transmission measurements are carried out on these nano-structures deposited on a GaSb/AlAsSb distributed Bragg reflector. It is shown that the antimony-based structures at the surface favor transmission of light polarized perpendicular to the wires.

Modeling impacts of human footprint and soil variability on the potential distribution of invasive plant species in different biomes

Science.gov (United States)

Wan, Ji-Zhong; Wang, Chun-Jing; Yu, Fei-Hai

2017-11-01

Human footprint and soil variability may be important in shaping the spread of invasive plant species (IPS). However, until now, there is little knowledge on how human footprint and soil variability affect the potential distribution of IPS in different biomes. We used Maxent modeling to project the potential distribution of 29 IPS with wide distributions and long introduction histories in China based on various combinations of climatic correlates, soil characteristics and human footprint. Then, we evaluated the relative importance of each type of environmental variables (climate, soil and human footprint) as well as the difference in range and similarity of the potential distribution of IPS between different biomes. Human footprint and soil variables contributed to the prediction of the potential distribution of IPS, and different types of biomes had varying responses and degrees of impacts from the tested variables. Human footprint and soil variability had the highest tendency to increase the potential distribution of IPS in Montane Grasslands and Shrublands. We propose to integrate the assessment in impacts of human footprint and soil variability on the potential distribution of IPS in different biomes into the prevention and control of plant invasion.

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

Science.gov (United States)

Bernardino, Kalil; de Moura, André F

2015-10-13

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

Evaluation of interatomic potentials for noble gas atoms from rainbow scattering under axial channeling at Ag(1 1 1) surface by computer simulations based on binary collision approximation

Energy Technology Data Exchange (ETDEWEB)

Takeuchi, Wataru, E-mail: take@sp.ous.ac.jp

2016-01-01

The rainbow angles corresponding to pronounced peaks in the angular distributions of scattered projectiles with small angle, attributed to rainbow scattering (RS), under axial surface channeling conditions are strongly dependent on the interatomic potentials between projectiles and target atoms. The dependence of rainbow angles on normal energy of projectile energy to the target surface that has been experimentally obtained by Schüller and Winter (SW) (2007) for RS of He, Ne and Ar atoms from a Ag(1 1 1) surface with projectile energies of 3–60 keV was evaluated by the three-dimensional computer simulations using the ACOCT code based on the binary collision approximation with interatomic pair potentials. Consequently, the ACOCT results employing the Moliere pair potential with screening length correction close to adjustable one of O’Connor and Biersack (OB) formula are almost in agreement with the experimental ones, being self-consistent with the SW’s ones analyzed by computer simulations of classical trajectory calculations as RS from corrugated equipotential planes based on continuum potentials including the Moliere pair potential with screening length correction of the OB formula.

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.

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.

Comparison of the bidirectional reflectance distribution function of various surfaces

International Nuclear Information System (INIS)

Fernandez, R.; Seasholtz, R.G.; Oberle, L.G.; Kadambi, J.R.

1989-01-01

This paper describes the development and use of a system to measure the bidirectional reflectance distribution function (BRDF) of various surfaces. The BRDF measurements are to be used in the analysis and design of optical measurement systems such as laser anemometers. An Ar-ion laser (514 nm) was the light source. Preliminary results are presented for eight samples: two glossy black paints, two flat black paints, black glass, sand-blasted Al, unworked Al, and a white paint. A BaSO4 white reflectance standard was used as the reference sample throughout the tests. 8 refs

The geographic distribution of strontium isotopes in Danish surface waters - A base for provenance studies in archaeology, hydrology and agriculture

DEFF Research Database (Denmark)

Frei, Karin Margarita; Frei, Robert

2011-01-01

is consequently not readily transferred into the shallow-rooting plants and into small herbivores feeding on them. Since drinking water is a likely important source of Sr uptake of humans and larger animals, the contention is that a surface water isotopic composition can potentially characterize the bio...... some notable exceptions) neither mirror the pre-Quarternary bedrock geology nor a (Pleistocene) soil-type distribution map of Denmark. As a conservative suggestion, the use of the average 87Sr/86Sr ratio of 0.7096 ± 0.0015 (2r) is recommended as an average for bio-available Sr from within Denmark...

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.

Analysing the impact of reflectance distributions and well geometries on vertical surface daylight levels in atria for overcast skies

Energy Technology Data Exchange (ETDEWEB)

Du, Jiangtao; Sharples, Steve [School of Architecture, University of Sheffield, Crookesmoor Building, Conduit Road, Sheffield S10 1FL (United Kingdom)

2010-07-15

This study investigated the impacts of different diffuse reflectance distributions and well geometries on vertical daylight factors and vertical internally reflected components in atria. Two forms of reflectance distribution patterns of wall surface were examined: horizontal and vertical reflectance band variation. The square atrium models studied have a broader WI range of 0.25-2.0, which represent shallow, medium and high atria. Radiance, a powerful package based on backward ray tracing technique, was used for the simulations of vertical daylight levels. The results show that different reflectance distributions of square atrium walls do have an impact on the vertical daylight factors and vertical internally reflected components under overcast sky condition. The impact relates to the orientation of the band with different reflectance distributions on the wall. Compared with the vertical band surface, the horizontal band surface has a much more complicated effect. The horizontal distributions of the reflectances significantly affects the vertical daylight levels at the locations more than 30% atrium height on the wall. For an atrium with a height more than 1/2 the width, the effect tends to increase with the increasing well index. The vertical distributions of the reflectance, nevertheless, do not substantially take effect on the vertical daylight levels in atria except for some special reflectance distribution patterns. (author)

Momentum distribution, vibrational dynamics, and the potential of mean force in ice

Science.gov (United States)

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

2011-06-01

By analyzing the momentum distribution obtained from path integral and phonon calculations we find that the protons in hexagonal ice experience an anisotropic quasiharmonic effective potential with three distinct principal frequencies that reflect molecular orientation. Due to the importance of anisotropy, anharmonic features of the environment cannot be extracted from existing experimental distributions that involve the spherical average. The full directional distribution is required, and we give a theoretical prediction for this quantity that could be verified in future experiments. Within the quasiharmonic context, anharmonicity in the ground-state dynamics of the proton is substantial and has quantal origin, a finding that impacts the interpretation of several spectroscopies.

On radiation of electrons moving in braking electric fields with distributed potential

International Nuclear Information System (INIS)

Fedulov, V.I.; Suvorov, V.I.; Umirov, U.R.

2002-01-01

The characteristics of radiation of electron moving in flat structures with braking electric field created by an accelerating electrode and another electrode with distributed potential are investigated. The analytical expressions for definition of conditions for complete loss of energy by electron in structure with distributed potential and for arising the electron vibrations are received. Also expressions connecting the electron energy with the point of entry and its fluctuation frequency are received. The mathematical model of irradiation process is offered depending on energy and point of entry of the electron. The connection between a radiation wave length and position of point of entry of electrons in the braking electric field are found. A possibility of emerging the optical radiation in solid environments at passage of charge particles through substance is shown. (author)

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…

Bidirectional reflectance distribution function modeling of one-dimensional rough surface in the microwave band

International Nuclear Information System (INIS)

Guo Li-Xin; Gou Xue-Yin; Zhang Lian-Bo

2014-01-01

In this study, the bidirectional reflectance distribution function (BRDF) of a one-dimensional conducting rough surface and a dielectric rough surface are calculated with different frequencies and roughness values in the microwave band by using the method of moments, and the relationship between the bistatic scattering coefficient and the BRDF of a rough surface is expressed. From the theory of the parameters of the rough surface BRDF, the parameters of the BRDF are obtained using a genetic algorithm. The BRDF of a rough surface is calculated using the obtained parameter values. Further, the fitting values and theoretical calculations of the BRDF are compared, and the optimization results are in agreement with the theoretical calculation results. Finally, a reference for BRDF modeling of a Gaussian rough surface in the microwave band is provided by the proposed method. (electromagnetism, optics, acoustics, heat transfer, classical mechanics, and fluid dynamics)

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

A Universal Isotherm Model to Capture Adsorption Uptake and Energy Distribution of Porous Heterogeneous Surface

KAUST Repository

Ng, Kim Choon; Burhan, Muhammad; Shahzad, Muhammad Wakil; Ismail, Azahar Bin

2017-01-01

The adsorbate-adsorbent thermodynamics are complex as it is influenced by the pore size distributions, surface heterogeneity and site energy distribution, as well as the adsorbate properties. Together, these parameters defined the adsorbate uptake forming the state diagrams, known as the adsorption isotherms, when the sorption site energy on the pore surfaces are favorable. The available adsorption models for describing the vapor uptake or isotherms, hitherto, are individually defined to correlate to a certain type of isotherm patterns. There is yet a universal approach in developing these isotherm models. In this paper, we demonstrate that the characteristics of all sorption isotherm types can be succinctly unified by a revised Langmuir model when merged with the concepts of Homotattic Patch Approximation (HPA) and the availability of multiple sets of site energy accompanied by their respective fractional probability factors. The total uptake (q/q*) at assorted pressure ratios (P/P s ) are inextricably traced to the manner the site energies are spread, either naturally or engineered by scientists, over and across the heterogeneous surfaces. An insight to the porous heterogeneous surface characteristics, in terms of adsorption site availability has been presented, describing the unique behavior of each isotherm type.

A Universal Isotherm Model to Capture Adsorption Uptake and Energy Distribution of Porous Heterogeneous Surface

KAUST Repository

Ng, Kim Choon

2017-08-31

The adsorbate-adsorbent thermodynamics are complex as it is influenced by the pore size distributions, surface heterogeneity and site energy distribution, as well as the adsorbate properties. Together, these parameters defined the adsorbate uptake forming the state diagrams, known as the adsorption isotherms, when the sorption site energy on the pore surfaces are favorable. The available adsorption models for describing the vapor uptake or isotherms, hitherto, are individually defined to correlate to a certain type of isotherm patterns. There is yet a universal approach in developing these isotherm models. In this paper, we demonstrate that the characteristics of all sorption isotherm types can be succinctly unified by a revised Langmuir model when merged with the concepts of Homotattic Patch Approximation (HPA) and the availability of multiple sets of site energy accompanied by their respective fractional probability factors. The total uptake (q/q*) at assorted pressure ratios (P/P s ) are inextricably traced to the manner the site energies are spread, either naturally or engineered by scientists, over and across the heterogeneous surfaces. An insight to the porous heterogeneous surface characteristics, in terms of adsorption site availability has been presented, describing the unique behavior of each isotherm type.

Potential effect of fiddler crabs on organic matter distribution: A combined laboratory and field experimental approach

Science.gov (United States)

Natálio, Luís F.; Pardo, Juan C. F.; Machado, Glauco B. O.; Fortuna, Monique D.; Gallo, Deborah G.; Costa, Tânia M.

2017-01-01

Bioturbators play a key role in estuarine environments by modifying the availability of soil elements, which in turn may affect other organisms. Despite the importance of bioturbators, few studies have combined both field and laboratory experiments to explore the effects of bioturbators on estuarine soils. Herein, we assessed the bioturbation potential of fiddler crabs Leptuca leptodactyla and Leptuca uruguayensis in laboratory and field experiments, respectively. We evaluated whether the presence of fiddler crabs resulted in vertical transport of sediment, thereby altering organic matter (OM) distribution. Under laboratory conditions, the burrowing activity by L. leptodactyla increased the OM content in sediment surface. In the long-term field experiment with areas of inclusion and exclusion of L. uruguayensis, we did not observe influence of this fiddler crab in the vertical distribution of OM. Based on our results, we suggest that small fiddler crabs, such as the species used in these experiments, are potentially capable of alter their environment by transporting sediment and OM but such effects may be masked by environmental drivers and spatial heterogeneity under natural conditions. This phenomenon may be related to the small size of these species, which affects how much sediment is transported, along with the way OM interacts with biogeochemical and physical processes. Therefore, the net effect of these burrowing organisms is likely to be the result of a complex interaction with other environmental factors. In this sense, we highlight the importance of performing simultaneous field and laboratory experiments in order to better understanding the role of burrowing animals as bioturbators.

Stable Flocking of Multiple Agents Based on Molecular Potential Field and Distributed Receding Horizon Control

International Nuclear Information System (INIS)

Zhang Yun-Peng; Duan Hai-Bin; Zhang Xiang-Yin

2011-01-01

A novel distributed control scheme to generate stable flocking motion for a group of agents is proposed. In this control scheme, a molecular potential field model is applied as the potential field function because of its smoothness and unique shape. The approach of distributed receding horizon control is adopted to drive each agent to find its optimal control input to lower its potential at every step. Experimental results show that this proposed control scheme can ensure that all agents eventually converge to a stable flocking formation with a common velocity and the collisions can also be avoided at the same time. (general)

Surface and zeta-potentials of silver halide single crystals: pH-dependence in comparison to particle systems

International Nuclear Information System (INIS)

Selmani, Atiða; Kallay, Nikola; Preočanin, Tajana; Lützenkirchen, Johannes

2014-01-01

We have carried out surface and zeta-potential measurements on AgCl and AgBr single crystals. As for particle systems we find that, surprisingly and previously unnoted, the zeta-potential exhibits pH-dependence, while the surface potential does not. A possible interpretation of these observations is the involvement of water ions in the interfacial equilibria and in particular, stronger affinity of the hydroxide ion compared to the proton. The pH-dependence of the zeta-potential can be suppressed at sufficiently high silver concentrations, which agrees with previous measurements in particle systems where no pH-dependence was found at high halide ion concentrations. The results suggest a subtle interplay between the surface potential determining the halide and silver ion concentrations, and the water ions. Whenever the charge due to the halide and silver ions is sufficiently high, the influence of the proton/hydroxide ion on the zeta-potential vanishes. This might be related to the water structuring at the relevant interfaces which should be strongly affected by the surface potential. Another interesting observation is accentuation of the assumed water ion effect on the zeta-potential at the flat single crystal surfaces compared to the corresponding silver halide colloids. Previous generic MD simulations have indeed predicted that hydroxide ion adsorption is accentuated on flat/rigid surfaces. A thermodynamic model for AgI single crystals was developed to describe the combined effects of iodide, silver and water ions, based on two independently previously published models for AgI (that only consider constituent and background electrolyte ions) and inert surfaces (that only consider water and background electrolyte ions). The combined model correctly predicts all the experimentally observed trends. (paper)

Efficient generation of sum-of-products representations of high-dimensional potential energy surfaces based on multimode expansions

Science.gov (United States)

Ziegler, Benjamin; Rauhut, Guntram

2016-03-01

The transformation of multi-dimensional potential energy surfaces (PESs) from a grid-based multimode representation to an analytical one is a standard procedure in quantum chemical programs. Within the framework of linear least squares fitting, a simple and highly efficient algorithm is presented, which relies on a direct product representation of the PES and a repeated use of Kronecker products. It shows the same scalings in computational cost and memory requirements as the potfit approach. In comparison to customary linear least squares fitting algorithms, this corresponds to a speed-up and memory saving by several orders of magnitude. Different fitting bases are tested, namely, polynomials, B-splines, and distributed Gaussians. Benchmark calculations are provided for the PESs of a set of small molecules.

Development of a high precision dosimetry system for the measurement of surface dose rate distribution for eye applicators

Energy Technology Data Exchange (ETDEWEB)

Eichmann, Marion; Fluehs, Dirk; Spaan, Bernhard [Fakultaet Physik, Technische Universitaet Dortmund, D 44221 Dortmund (Germany); Klinische Strahlenphysik, Universitaetsklinikum Essen, D 45122 Essen (Germany); Fakultaet Physik, Technische Universitaet Dortmund, D 44221 Dortmund (Germany)

2009-10-15

Purpose: The therapeutic outcome of the therapy with ophthalmic applicators is highly dependent on the application of a sufficient dose to the tumor, whereas the dose applied to the surrounding tissue needs to be minimized. The goal for the newly developed apparatus described in this work is the determination of the individual applicator surface dose rate distribution with a high spatial resolution and a high precision in dose rate with respect to time and budget constraints especially important for clinical procedures. Inhomogeneities of the dose rate distribution can be detected and taken into consideration for the treatment planning. Methods: In order to achieve this, a dose rate profile as well as a surface profile of the applicator are measured and correlated with each other. An instrumental setup has been developed consisting of a plastic scintillator detector system and a newly designed apparatus for guiding the detector across the applicator surface at a constant small distance. It performs an angular movement of detector and applicator with high precision. Results: The measurements of surface dose rate distributions discussed in this work demonstrate the successful operation of the measuring setup. Measuring the surface dose rate distribution with a small distance between applicator and detector and with a high density of measuring points results in a complete and gapless coverage of the applicator surface, being capable of distinguishing small sized spots with high activities. The dosimetrical accuracy of the measurements and its analysis is sufficient (uncertainty in the dose rate in terms of absorbed dose to water is <7%), especially when taking the surgical techniques in positioning of the applicator on the eyeball into account. Conclusions: The method developed so far allows a fully automated quality assurance of eye applicators even under clinical conditions. These measurements provide the basis for future calculation of a full 3D dose rate

Development of a high precision dosimetry system for the measurement of surface dose rate distribution for eye applicators.

Science.gov (United States)

Eichmann, Marion; Flühs, Dirk; Spaan, Bernhard

2009-10-01

The therapeutic outcome of the therapy with ophthalmic applicators is highly dependent on the application of a sufficient dose to the tumor, whereas the dose applied to the surrounding tissue needs to be minimized. The goal for the newly developed apparatus described in this work is the determination of the individual applicator surface dose rate distribution with a high spatial resolution and a high precision in dose rate with respect to time and budget constraints especially important for clinical procedures. Inhomogeneities of the dose rate distribution can be detected and taken into consideration for the treatment planning. In order to achieve this, a dose rate profile as well as a surface profile of the applicator are measured and correlated with each other. An instrumental setup has been developed consisting of a plastic scintillator detector system and a newly designed apparatus for guiding the detector across the applicator surface at a constant small distance. It performs an angular movement of detector and applicator with high precision. The measurements of surface dose rate distributions discussed in this work demonstrate the successful operation of the measuring setup. Measuring the surface dose rate distribution with a small distance between applicator and detector and with a high density of measuring points results in a complete and gapless coverage of the applicator surface, being capable of distinguishing small sized spots with high activities. The dosimetrical accuracy of the measurements and its analysis is sufficient (uncertainty in the dose rate in terms of absorbed dose to water is <7%), especially when taking the surgical techniques in positioning of the applicator on the eyeball into account. The method developed so far allows a fully automated quality assurance of eye applicators even under clinical conditions. These measurements provide the basis for future calculation of a full 3D dose rate distribution, which then can be used as input for

Potential energy surfaces of adsorbates on periodic substrates: Application of the Morse theory

Czech Academy of Sciences Publication Activity Database

Pick, Štěpán

2009-01-01

Roč. 79, č. 4 (2009), 045403-1-5 ISSN 1098-0121 Institutional research plan: CEZ:AV0Z40400503 Keywords : adsorbed layers * Morse potential * potential energy surfaces * substrates Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.475, year: 2009

Three dimensional classical theory of rainbow scattering of atoms from surfaces

Energy Technology Data Exchange (ETDEWEB)

Pollak, Eli, E-mail: eli.pollak@weizmann.ac.il [Chemical Physics Department, Weizmann Institute of Science, 76100 Rehovoth (Israel); Miret-Artes, Salvador [Instituto de Fisica Fundamental, Consejo Superior de Investigaciones Cientificas, Serrano 123, 28006 Madrid (Spain)

2010-10-05

Graphical abstract: In this work, we extend to three dimensions our previous stochastic classical theory on surface rainbow scattering. The stochastic phonon bath is modeled in terms of linear coupling of the phonon modes to the motion of the scattered particle. We take into account the three polarizations of the phonons. Closed formulae are derived for the angular and energy loss distributions. They are readily implemented when assuming that the vertical interaction with the surface is described by a Morse potential. The hard wall limit of the theory is derived and applied to some model corrugated potentials. We find that rainbow structure of the scattered angular distribution reflects the underlying symmetries of the surface. We also distinguish between 'normal rainbows' and 'super rainbows'. The latter occur when the two eigenvalues of the Hessian of the corrugation function vanish simultaneously. - Abstract: In this work, we extend to three dimensions our previous stochastic classical theory on surface rainbow scattering. The stochastic phonon bath is modeled in terms of linear coupling of the phonon modes to the motion of the scattered particle. We take into account the three polarizations of the phonons. Closed formulae are derived for the angular and energy loss distributions. They are readily implemented when assuming that the vertical interaction with the surface is described by a Morse potential. The hard wall limit of the theory is derived and applied to some model corrugated potentials. We find that rainbow structure of the scattered angular distribution reflects the underlying symmetries of the surface. We also distinguish between 'normal rainbows' and 'super rainbows'. The latter occur when the two eigenvalues of the Hessian of the corrugation function vanish simultaneously.

Influence of the potential well and the potential barrier on the density distribution of confined-model fluids

CERN Document Server

Lee, B H; Lee, C H; Seong Baek Seok

2000-01-01

A density functional perturbative approximation, which is based on the density functional expansion of the one-particle direct correlation function of model fluids with respect to the bulk density, has been employed to investigate the influence of the potential well and the potential barrier on the density behavior of confined-model fluids. The mean spherical approximation has been used to calculate the two-particle direct correlation function of the model fluids. At lower densities, the density distributions are strongly affected by the barrier height and the well depth of the model potential, the contribution from the short-range repulsive part being especially important. However, the effects of the barrier height and the well depth of the model potential decrease with increasing bulk density. The calculated results also show that in the region where the effect of the wall-fluid interaction is relatively weak, the square-barrier part of the model potential leads to a nonuniformity in the density distributio...

Mass Distribution and Gravitational Potential of the Milky Way

Directory of Open Access Journals (Sweden)

Ninković Slobodan

2017-04-01

Full Text Available Models of mass distribution in the Milky Way are discussed where those yielding the potential analytically are preferred. It is noted that there are three main contributors to the Milky Way potential: bulge, disc and dark halo. In the case of the disc the Miyamoto-Nagai formula, as simple enough, has shown as a very good solution, but it has not been able to satisfy all requirements. Therefore, improvements, such as adding new terms or combining several Miyamoto-Nagai terms, have been attempted. Unlike the disc, in studying the bulge and dark halo the flattening is usually neglected, which offers the possibility of obtaining an exact solution of the Poisson equation. It is emphasized that the Hernquist formula, used very often for the bulge potential, is a special case of another formula and the properties of that formula are analysed. In the case of the dark halo, the slopes of its cumulative mass for the inner and outer parts are explained through a new formalism presented here for the first time.

Land surface temperature distribution and development for green open space in Medan city using imagery-based satellite Landsat 8

Science.gov (United States)

Sulistiyono, N.; Basyuni, M.; Slamet, B.

2018-03-01

Green open space (GOS) is one of the requirements where a city is comfortable to stay. GOS might reduce land surface temperature (LST) and air pollution. Medan is one of the biggest towns in Indonesia that experienced rapid development. However, the early development tends to neglect the GOS existence for the city. The objective of the study is to determine the distribution of land surface temperature and the relationship between the normalized difference vegetation index (NDVI) and the priority of GOS development in Medan City using imagery-based satellite Landsat 8. The method approached to correlate the distribution of land surface temperature derived from the value of digital number band 10 with the NDVI which was from the ratio of groups five and four on satellite images of Landsat 8. The results showed that the distribution of land surface temperature in the Medan City in 2016 ranged 20.57 - 33.83 °C. The relationship between the distribution of LST distribution with NDVI was reversed with a negative correlation of -0.543 (sig 0,000). The direction of GOS in Medan City is therefore developed on the allocation of LST and divided into three priority classes namely first priority class had 5,119.71 ha, the second priority consisted of 16,935.76 ha, and third priority of 6,118.50 ha.

Surface roughness effects on plasma near a divertor plate and local impact angle

Directory of Open Access Journals (Sweden)

Wanpeng Hu

2017-08-01

Full Text Available The impact of rough surface topography on the electric potential and electric field is generally neglected due to the small scale of surface roughness compared to the width of the plasma sheath. However, the distributions of the electric potential and field on rough surfaces are expected to influence the characteristics of edge plasma and the local impact angle. The distributions of plasma sheath and local impact angle on rough surfaces are investigated by a two dimension-in-space and three dimension-in-velocity (2d3v Particle-In-Cell (PIC code. The influences of the plasma temperature andsurface morphology on the plasma sheath, local impact angle and resulting physical sputtering yield on rough surfaces are investigated.

Meteorological and Land Surface Properties Impacting Sea Breeze Extent and Aerosol Distribution in a Dry Environment

Science.gov (United States)

Igel, Adele L.; van den Heever, Susan C.; Johnson, Jill S.

2018-01-01

The properties of sea breeze circulations are influenced by a variety of meteorological and geophysical factors that interact with one another. These circulations can redistribute aerosol particles and pollution and therefore can play an important role in local air quality, as well as impact remote sensing. In this study, we select 11 factors that have the potential to impact either the sea breeze circulation properties and/or the spatial distribution of aerosols. Simulations are run to identify which of the 11 factors have the largest influence on the sea breeze properties and aerosol concentrations and to subsequently understand the mean response of these variables to the selected factors. All simulations are designed to be representative of conditions in coastal sub tropical environments and are thus relatively dry, as such they do not support deep convection associated with the sea breeze front. For this dry sea breeze regime, we find that the background wind speed was the most influential factor for the sea breeze propagation, with the soil saturation fraction also being important. For the spatial aerosol distribution, the most important factors were the soil moisture, sea-air temperature difference, and the initial boundary layer height. The importance of these factors seems to be strongly tied to the development of the surface-based mixed layer both ahead of and behind the sea breeze front. This study highlights potential avenues for further research regarding sea breeze dynamics and the impact of sea breeze circulations on pollution dispersion and remote sensing algorithms.

A preliminary investigation of the distribution of heavy metals in surface sediments of the Cona tidal marsh (Venice Lagoon)

International Nuclear Information System (INIS)

Bernardi, S.; Costa, F.; Vazzoler, S.; Zonta, R.

1988-01-01

Data are from the two series of surface sediment sampling in an interface area between the Venice Lagoon and the mainland. The distribution of heavy metals gives a correlation with polluted sourcesites-identified in the channel systems with a highly polluted input-and allows us to identify the localities of accumulation. Restricted to the estuary of the river tributary transporting a high concentration of pollutants into a tidal marsh area of the lagoon, the study shows the effect of the fresh water forcing to distribute heavy metals on surface sediments. Within the scope of this preliminary investigation, indications from sampling identify a sector of the 'palude of Cona' in this estuary, which is highly suitable for detailed studies on precesses affecting heavy-metal distributions in bottom surface sediments of shallow-water areas

A Comparison of Streaming and Microelectrophoresis Methods for Obtaining the zeta Potential of Granular Porous Media Surfaces.

Science.gov (United States)

Johnson

1999-01-01

The electrokinetic behavior of granular quartz sand in aqueous solution is investigated by both microelectrophoresis and streaming potential methods. zeta potentials of surfaces composed of granular quartz obtained via streaming potential methods are compared to electrophoretic mobility zeta potential values of colloid-sized quartz fragments. The zeta values generated by these alternate methods are in close agreement over a wide pH range and electrolyte concentrations spanning several orders of magnitude. Streaming measurements performed on chemically heterogeneous mixtures of physically homogeneous sand are shown to obey a simple mixing model based on the surface area-weighted average of the streaming potentials associated with the individual end members. These experimental results support the applicability of the streaming potential method as a means of determining the zeta potential of granular porous media surfaces. Copyright 1999 Academic Press.

Accelerating electrostatic surface potential calculation with multi-scale approximation on graphics processing units.

Science.gov (United States)

Anandakrishnan, Ramu; Scogland, Tom R W; Fenley, Andrew T; Gordon, John C; Feng, Wu-chun; Onufriev, Alexey V

2010-06-01

Tools that compute and visualize biomolecular electrostatic surface potential have been used extensively for studying biomolecular function. However, determining the surface potential for large biomolecules on a typical desktop computer can take days or longer using currently available tools and methods. Two commonly used techniques to speed-up these types of electrostatic computations are approximations based on multi-scale coarse-graining and parallelization across multiple processors. This paper demonstrates that for the computation of electrostatic surface potential, these two techniques can be combined to deliver significantly greater speed-up than either one separately, something that is in general not always possible. Specifically, the electrostatic potential computation, using an analytical linearized Poisson-Boltzmann (ALPB) method, is approximated using the hierarchical charge partitioning (HCP) multi-scale method, and parallelized on an ATI Radeon 4870 graphical processing unit (GPU). The implementation delivers a combined 934-fold speed-up for a 476,040 atom viral capsid, compared to an equivalent non-parallel implementation on an Intel E6550 CPU without the approximation. This speed-up is significantly greater than the 42-fold speed-up for the HCP approximation alone or the 182-fold speed-up for the GPU alone. Copyright (c) 2010 Elsevier Inc. All rights reserved.

[Prediction of potential geographic distribution of Lyme disease in Qinghai province with Maximum Entropy model].

Science.gov (United States)

Zhang, Lin; Hou, Xuexia; Liu, Huixin; Liu, Wei; Wan, Kanglin; Hao, Qin

2016-01-01

To predict the potential geographic distribution of Lyme disease in Qinghai by using Maximum Entropy model (MaxEnt). The sero-diagnosis data of Lyme disease in 6 counties (Huzhu, Zeku, Tongde, Datong, Qilian and Xunhua) and the environmental and anthropogenic data including altitude, human footprint, normalized difference vegetation index (NDVI) and temperature in Qinghai province since 1990 were collected. By using the data of Huzhu Zeku and Tongde, the prediction of potential distribution of Lyme disease in Qinghai was conducted with MaxEnt. The prediction results were compared with the human sero-prevalence of Lyme disease in Datong, Qilian and Xunhua counties in Qinghai. Three hot spots of Lyme disease were predicted in Qinghai, which were all in the east forest areas. Furthermore, the NDVI showed the most important role in the model prediction, followed by human footprint. Datong, Qilian and Xunhua counties were all in eastern Qinghai. Xunhua was in hot spot areaⅡ, Datong was close to the north of hot spot area Ⅲ, while Qilian with lowest sero-prevalence of Lyme disease was not in the hot spot areas. The data were well modeled in MaxEnt (Area Under Curve=0.980). The actual distribution of Lyme disease in Qinghai was in consistent with the results of the model prediction. MaxEnt could be used in predicting the potential distribution patterns of Lyme disease. The distribution of vegetation and the range and intensity of human activity might be related with Lyme disease distribution.

Sources and distribution of yttrium and rare earth elements in surface sediments from Tagus estuary, Portugal.

Science.gov (United States)

Brito, Pedro; Prego, Ricardo; Mil-Homens, Mário; Caçador, Isabel; Caetano, Miguel

2018-04-15

The distribution and sources of yttrium and rare-earth elements (YREE) in surface sediments were studied on 78 samples collected in the Tagus estuary (SW Portugal, SW Europe). Yttrium and total REE contents ranged from 2.4 to 32mg·kg -1 and 18 to 210mg·kg -1 , respectively, and exhibited significant correlations with sediment grain-size, Al, Fe, Mg and Mn, suggesting a preferential association to fine-grained material (e.g. aluminosilicates but also Al hydroxides and Fe oxyhydroxides). The PAAS (Post-Archean Australian Shale) normalized patterns display three distinct YREE fractionation pattern groups along the Tagus estuary: a first group, characterized by medium to coarse-grained material, a depleted and almost flat PAAS-normalized pattern, with a positive anomaly of Eu, representing one of the lithogenic components; a second group, characterized mainly by fine-grained sediment, with higher shale-normalized ratios and an enrichment of LREE relative to HREE, associated with waste water treatment plant (WWTP) outfalls, located in the northern margin; and, a third group, of fine-grained material, marked by a significant enrichment of Y, a depletion of Ce and an enrichment of HREE over LREE, located near an inactive chemical-industrial complex (e.g. pyrite roast plant, chemical and phosphorous fertilizer industries), in the southern margin. The data allow the quantification of the YREE contents and its spatial distribution in the surface sediments of the Tagus estuary, identifying the main potential sources and confirming the use of rare earth elements as tracers of anthropogenic activities in highly hydrodynamic estuaries. Copyright © 2017 Elsevier B.V. All rights reserved.

Calculated energy distributions for light 0.25--18-keV ions scattered from solid surfaces

International Nuclear Information System (INIS)

Robinson, J.E.; Harms, A.A.; Karapetsas, S.K.

1975-01-01

Scattered energy distributions are calculated for light ions incident on Nb and Mo surfaces of interest for controlled nulcear fusion reactors. The scattered energy is found to vary as a function of the reflection coefficient between a multiple-collision limit at low energies and a single-collision Rutherford scattering limit at high energies. High-energy peaking of the scattered particle distributions is also found for low incident energies

Energy spectrum of surface electrons over a {sup 3}He – {sup 4}He solution with a spatially non-uniform distribution of the light isotope

Energy Technology Data Exchange (ETDEWEB)

Bezsmolnyy, Ya.Yu.; Sokolova, E.S.; Sokolov, S.S. [B.Verkin Institute for Low Temperature Physics and Engineering of the National Academy of Sciences of Ukraine, 47 Prospekt Nauky, 61103 Kharkov (Ukraine); Studart, Nelson [Centro de Ciências Naturais e Humanas, Universidade Federal do ABC, Av. dos Estados, 5001, 09210-580 Santo André, São Paulo (Brazil); Departamento de Física, Universidade Federal de São Carlos, via Washington Luís, km 235, 13565-905 Säo Carlos, São Paulo (Brazil)

2017-02-15

The energy gap between the ground and first excited energy levels of surface electrons deposited over a dilute {sup 3}He - {sup 4}He solution is evaluated. Two spatial distributions of {sup 3}He atoms near the free surface solution are considered. One consists of a thin though macroscopic {sup 3}He film and in the other the {sup 3}He concentration varies continuously from the surface inside the liquid. The energy gap is calculated as a function of the parameters of the {sup 3}He spatial distribution for these distributions. It is shown that the energy gap dependence on the distribution parameters allows using measurements of intersubband transitions of the surface electrons to determine the {sup 3}He concentration distribution and, in principle, the nature of the spatial distribution of the light isotope near the surface of the solution.

Potential fields on the ventricular surface of the exposed dog heart during normal excitation.

Science.gov (United States)

Arisi, G; Macchi, E; Baruffi, S; Spaggiari, S; Taccardi, B

1983-06-01

We studied the normal spread of excitation on the anterior and posterior ventricular surface of open-chest dogs by recording unipolar electrograms from an array of 1124 electrodes spaced 2 mm apart. The array had the shape of the ventricular surface of the heart. The electrograms were processed by a computer and displayed as epicardial equipotential maps at 1-msec intervals. Isochrone maps also were drawn. Several new features of epicardial potential fields were identified: (1) a high number of breakthrough points; (2) the topography, apparent widths, velocities of the wavefronts and the related potential drop; (3) the topography of positive potential peaks in relation to the wavefronts. Fifteen to 24 breakthrough points were located on the anterior, and 10 to 13 on the posterior ventricular surface. Some were in previously described locations and many others in new locations. Specifically, 3 to 5 breakthrough points appeared close to the atrioventricular groove on the anterior right ventricle and 2 to 4 on the posterior heart aspect; these basal breakthrough points appeared when a large portion of ventricular surface was still unexcited. Due to the presence of numerous breakthrough points on the anterior and posterior aspect of the heart which had not previously been described, the spread of excitation on the ventricular surface was "mosaic-like," with activation wavefronts spreading in all directions, rather than radially from the two breakthrough points, as traditionally described. The positive potential peaks which lay ahead of the expanding wavefronts moved along preferential directions which were probably related to the myocardial fiber direction.

Surface modification of β-Type titanium alloy by electrochemical potential pulse polarization

International Nuclear Information System (INIS)

Fujimoto, Shinji; Raman, Vedarajan; Tsuchiya, Hiroaki

2009-01-01

In the present work, we report the formation of a porous oxide/hydroxide surface layer on the Ti-29Nb-13Ta-4.6Zr (TNTZ) alloy achieved by the combination of an alkali immersion and a potential pulse polarisation process. The alkali treatment has been employed for pure titanium to produce amorphous and porous layer prior to hydroxyapatite (HAp) growth. But, in the case of TNTZ, immersion in 5M NaOH at the open circuit potential (OCP) at 60 deg. C for 24 hours, did not yield any uniform layer, instead a thick deposited layer with highly cracked one. The cracks were attributed to the growth of a tantalum enriched particulate. In order to avoid the crack formation, the electrochemical behaviour of the alloy and the pure alloying elements (Ti, Nb, Ta and Zr) was investigated to produce a uniform surface with the application of a square wave modulated potential pulse polarization, leading to the formation of a relatively uniform porous layer on the alloy.

Surface modification of {beta}-Type titanium alloy by electrochemical potential pulse polarization

Energy Technology Data Exchange (ETDEWEB)

Fujimoto, Shinji; Raman, Vedarajan; Tsuchiya, Hiroaki [Division of Materials and Manufacturing Science, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871 (Japan)], E-mail: fujimoto@mat.eng.osaka-u.ac.jp

2009-05-01

In the present work, we report the formation of a porous oxide/hydroxide surface layer on the Ti-29Nb-13Ta-4.6Zr (TNTZ) alloy achieved by the combination of an alkali immersion and a potential pulse polarisation process. The alkali treatment has been employed for pure titanium to produce amorphous and porous layer prior to hydroxyapatite (HAp) growth. But, in the case of TNTZ, immersion in 5M NaOH at the open circuit potential (OCP) at 60 deg. C for 24 hours, did not yield any uniform layer, instead a thick deposited layer with highly cracked one. The cracks were attributed to the growth of a tantalum enriched particulate. In order to avoid the crack formation, the electrochemical behaviour of the alloy and the pure alloying elements (Ti, Nb, Ta and Zr) was investigated to produce a uniform surface with the application of a square wave modulated potential pulse polarization, leading to the formation of a relatively uniform porous layer on the alloy.

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.

Mechanisms of Zr surface corrosion determined via molecular dynamics simulations with charge-optimized many-body (COMB) potentials

International Nuclear Information System (INIS)

Noordhoek, Mark J.; Liang, Tao; Chiang, Tsu-Wu; Sinnott, Susan B.; Phillpot, Simon R.

2014-01-01

Highlights: • An interatomic potential for zirconium–zirconium oxide–zirconium hydride is presented. • Diffusion of oxygen and hydrogen into Zr (0 0 0 1). • Deposition of O 2 and H 2 O on low-index Zr surfaces. • Surface structure affects resulting corrosion behavior. - Abstract: A charge-optimized many-body (COMB) potential is proposed for the zirconium–zirconium oxide–zirconium hydride system. This potential is developed to describe the energetics of the interactions of oxygen and hydrogen with zirconium metal. We perform classical molecular dynamics simulations showing the initial corrosion behavior of three low-index zirconium surfaces via the deposition of O 2 and H 2 O molecules. The basal (0 0 0 1) surface shows greater resistance to oxygen diffusion than the prism (101 ¯ 0) and (112 ¯ 0) surfaces. We suggest ways in which the surface structure has a unique role in the experimentally observed enhanced corrosion of the prism surfaces

Deduction of work function of carbon nanotube field emitter by use of curved-surface theory

International Nuclear Information System (INIS)

Edgcombe, C J; Jonge, N de

2007-01-01

The theory given earlier for field emission from a curved surface has been extended to use the parameter d characterizing the energy distribution. Measurement of the curvature of the Fowler-Nordheim plot together with d for the same emitter enables the work function of the surface to be deduced, together with emitter radius, notional surface field, effective solid angle of emission and supply factor. For this calculation an assumed form of potential distribution was used, but it is desirable to repeat the calculation with a potential obtained from atomic-scale simulation

Atomic-level spatial distributions of dopants on silicon surfaces: toward a microscopic understanding of surface chemical reactivity

Science.gov (United States)

Hamers, Robert J.; Wang, Yajun; Shan, Jun

1996-11-01

We have investigated the interaction of phosphine (PH 3) and diborane (B 2H 6) with the Si(001) surface using scanning tunneling microscopy, infrared spectroscopy, and ab initio molecular orbital calculations. Experiment and theory show that the formation of PSi heterodimers is energetically favorable compared with formation of PP dimers. The stability of the heterodimers arises from a large strain energy associated with formation of PP dimers. At moderate P coverages, the formation of PSi heterodimers leaves the surface with few locations where there are two adjacent reactive sites. This in turn modifies the chemical reactivity toward species such as PH 3, which require only one site to adsorb but require two adjacent sites to dissociate. Boron on Si(001) strongly segregates into localized regions of high boron concentration, separated by large regions of clean Si. This leads to a spatially-modulated chemical reactivity which during subsequent growth by chemical vapor deposition (CVD) leads to formation of a rough surface. The implications of the atomic-level spatial distribution of dopants on the rates and mechanisms of CVD growth processes are discussed.

Surface distribution of dissolved trace metals in the oligotrophic ocean and their influence on phytoplankton biomass and productivity

KAUST Repository

Pinedo-González, Paulina

2015-10-25

The distribution of bioactive trace metals has the potential to enhance or limit primary productivity and carbon export in some regions of the world ocean. To study these connections, the concentrations of Cd, Co, Cu, Fe, Mo, Ni, and V were determined for 110 surface water samples collected during the Malaspina 2010 Circumnavigation Expedition (MCE). Total dissolved Cd, Co, Cu, Fe, Mo, Ni, and V concentrations averaged 19.0 ± 5.4 pM, 21.4 ± 12 pM, 0.91 ± 0.4 nM, 0.66 ± 0.3 nM, 88.8 ± 12 nM, 1.72 ± 0.4 nM, and 23.4 ± 4.4 nM, respectively, with the lowest values detected in the Central Pacific and increased values at the extremes of all transects near coastal zones. Trace metal concentrations measured in surface waters of the Atlantic Ocean during the MCE were compared to previously published data for the same region. The comparison revealed little temporal changes in the distribution of Cd, Co, Cu, Fe, and Ni over the last 30 years. We utilized a multivariable linear regression model to describe potential relationships between primary productivity and the hydrological, biological, trace nutrient and macronutrient data collected during the MCE. Our statistical analysis shows that primary productivity in the Indian Ocean is best described by chlorophyll a, NO3, Ni, temperature, SiO4, and Cd. In the Atlantic Ocean, primary productivity is correlated with chlorophyll a, NO3, PO4, mixed layer depth, Co, Fe, Cd, Cu, V, and Mo. The variables salinity, temperature, SiO4, NO3, PO4, Fe, Cd, and V were found to best predict primary productivity in the Pacific Ocean. These results suggest that some of the lesser studied trace elements (e.g., Ni, V, Mo, and Cd) may play a more important role in regulating oceanic primary productivity than previously thought and point to the need for future experiments to verify their potential biological functions.

Surface distribution of dissolved trace metals in the oligotrophic ocean and their influence on phytoplankton biomass and productivity

KAUST Repository

Pinedo-Gonzá lez, Paulina; West, A. Joshua; Tovar-Sá nchez, Antonio; Duarte, Carlos M.; Marañ ó n, Emilio; Cermeñ o, Pedro; Gonzá lez, Natalia; Sobrino, Cristina; Huete-Ortega, Marí a; Ferná ndez, Ana; Ló pez-Sandoval, Daffne C.; Vidal, Montserrat; Blasco, Dolors; Estrada, Marta; Sañ udo-Wilhelmy, Sergio A.

2015-01-01

The distribution of bioactive trace metals has the potential to enhance or limit primary productivity and carbon export in some regions of the world ocean. To study these connections, the concentrations of Cd, Co, Cu, Fe, Mo, Ni, and V were determined for 110 surface water samples collected during the Malaspina 2010 Circumnavigation Expedition (MCE). Total dissolved Cd, Co, Cu, Fe, Mo, Ni, and V concentrations averaged 19.0 ± 5.4 pM, 21.4 ± 12 pM, 0.91 ± 0.4 nM, 0.66 ± 0.3 nM, 88.8 ± 12 nM, 1.72 ± 0.4 nM, and 23.4 ± 4.4 nM, respectively, with the lowest values detected in the Central Pacific and increased values at the extremes of all transects near coastal zones. Trace metal concentrations measured in surface waters of the Atlantic Ocean during the MCE were compared to previously published data for the same region. The comparison revealed little temporal changes in the distribution of Cd, Co, Cu, Fe, and Ni over the last 30 years. We utilized a multivariable linear regression model to describe potential relationships between primary productivity and the hydrological, biological, trace nutrient and macronutrient data collected during the MCE. Our statistical analysis shows that primary productivity in the Indian Ocean is best described by chlorophyll a, NO3, Ni, temperature, SiO4, and Cd. In the Atlantic Ocean, primary productivity is correlated with chlorophyll a, NO3, PO4, mixed layer depth, Co, Fe, Cd, Cu, V, and Mo. The variables salinity, temperature, SiO4, NO3, PO4, Fe, Cd, and V were found to best predict primary productivity in the Pacific Ocean. These results suggest that some of the lesser studied trace elements (e.g., Ni, V, Mo, and Cd) may play a more important role in regulating oceanic primary productivity than previously thought and point to the need for future experiments to verify their potential biological functions.

Reconstruction of the Tip-Surface Interaction Potential by Analysis of the Brownian Motion of an Atomic Force Microscope Tip

NARCIS (Netherlands)

Willemsen, O.H.; Kuipers, L.; van der Werf, Kees; de Grooth, B.G.; Greve, Jan

2000-01-01

The thermal movement of an atomic force microscope (AFM) tip is used to reconstruct the tip-surface interaction potential. If a tip is brought into the vicinity of a surface, its movement is governed by the sum of the harmonic cantilever potential and the tip-surface interaction potential. By

Distribution of Different Sized Ocular Surface Vessels in Diabetics and Normal Individuals.

Science.gov (United States)

Banaee, Touka; Pourreza, Hamidreza; Doosti, Hassan; Abrishami, Mojtaba; Ehsaei, Asieh; Basiry, Mohsen; Pourreza, Reza

2017-01-01

To compare the distribution of different sized vessels using digital photographs of the ocular surface of diabetic and normal individuals. In this cross-sectional study, red-free conjunctival photographs of diabetic and normal individuals, aged 30-60 years, were taken under defined conditions and analyzed using a Radon transform-based algorithm for vascular segmentation. The image areas occupied by vessels (AOV) of different diameters were calculated. The main outcome measure was the distribution curve of mean AOV of different sized vessels. Secondary outcome measures included total AOV and standard deviation (SD) of AOV of different sized vessels. Two hundred and sixty-eight diabetic patients and 297 normal (control) individuals were included, differing in age (45.50 ± 5.19 vs. 40.38 ± 6.19 years, P distribution curves of mean AOV differed between patients and controls (smaller AOV for larger vessels in patients; P distribution curve of vessels compared to controls. Presence of diabetes mellitus is associated with contraction of larger vessels in the conjunctiva. Smaller vessels dilate with diabetic retinopathy. These findings may be useful in the photographic screening of diabetes mellitus and retinopathy.

Modeling global distribution of agricultural insecticides in surface waters

International Nuclear Information System (INIS)

Ippolito, Alessio; Kattwinkel, Mira; Rasmussen, Jes J.; Schäfer, Ralf B.; Fornaroli, Riccardo; Liess, Matthias

2015-01-01

Agricultural insecticides constitute a major driver of animal biodiversity loss in freshwater ecosystems. However, the global extent of their effects and the spatial extent of exposure remain largely unknown. We applied a spatially explicit model to estimate the potential for agricultural insecticide runoff into streams. Water bodies within 40% of the global land surface were at risk of insecticide runoff. We separated the influence of natural factors and variables under human control determining insecticide runoff. In the northern hemisphere, insecticide runoff presented a latitudinal gradient mainly driven by insecticide application rate; in the southern hemisphere, a combination of daily rainfall intensity, terrain slope, agricultural intensity and insecticide application rate determined the process. The model predicted the upper limit of observed insecticide exposure measured in water bodies (n = 82) in five different countries reasonably well. The study provides a global map of hotspots for insecticide contamination guiding future freshwater management and conservation efforts. - Highlights: • First global map on insecticide runoff through modelling. • Model predicts upper limit of insecticide exposure when compared to field data. • Water bodies in 40% of global land surface may be at risk of adverse effects. • Insecticide application rate, terrain slope and rainfall main drivers of exposure. - We provide the first global map on insecticide runoff to surface water predicting that water bodies in 40% of global land surface may be at risk of adverse effects

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

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)

[Distribution and sources of oxygen and sulfur heterocyclic aromatic compounds in surface soil of Beijing, China].

Science.gov (United States)

He, Guang-Xiu; Zhang, Zhi-Huan; Peng, Xu-Yang; Zhu, Lei; Lu, Ling

2011-11-01

62 surface soil samples were collected from different environmental function zones in Beijing. Sulfur and oxygen heterocyclic aromatic compounds were detected by GC/MS. The objectives of this study were to identify the composition and distribution of these compounds, and discuss their sources. The results showed that the oxygen and sulfur heterocyclic aromatic compounds in the surface soils mainly contained dibenzofuran, methyl- and C2-dibenzofuran series, dibenzothiophene, methyl-, C2- and C3-dibenzothiophene series and benzonaphthothiophene series. The composition and distribution of the oxygen and sulfur heterocyclic aromatic compounds in the surface soil samples varied in the different environmental function zones, of which some factories and the urban area received oxygen and sulfur heterocyclic aromatic compounds most seriously. In Beijing, the degree of contamination by oxygen and sulfur heterocyclic aromatic compounds in the north surface soil was higher than that in the south. There were preferable linear correlations between the concentration of dibenzofuran series and fluorene series, as well as the concentration of dibenzothiophene series and dibenzofuran series. The oxygen and sulfur heterocyclic aromatic compounds in the surface soil were mainly derived from combustion products of oil and coal and direct input of mineral oil, etc. There were some variations in pollution sources of different environmental function zones.

Associations between motor unit action potential parameters and surface EMG features.

Science.gov (United States)

Del Vecchio, Alessandro; Negro, Francesco; Felici, Francesco; Farina, Dario

2017-10-01

The surface interference EMG signal provides some information on the neural drive to muscles. However, the association between neural drive to muscle and muscle activation has long been debated with controversial indications due to the unavailability of motor unit population data. In this study, we clarify the potential and limitations of interference EMG analysis to infer motor unit recruitment strategies with an experimental investigation of several concurrently active motor units and of the associated features of the surface EMG. For this purpose, we recorded high-density surface EMG signals during linearly increasing force contractions of the tibialis anterior muscle, up to 70% of maximal force. The recruitment threshold (RT), conduction velocity (MUCV), median frequency (MDF MU ), and amplitude (RMS MU ) of action potentials of 587 motor units from 13 individuals were assessed and associated with features of the interference EMG. MUCV was positively associated with RT ( R 2 = 0.64 ± 0.14), whereas MDF MU and RMS MU showed a weaker relation with RT ( R 2 = 0.11 ± 0.11 and 0.39 ± 0.24, respectively). Moreover, the changes in average conduction velocity estimated from the interference EMG predicted well the changes in MUCV ( R 2 = 0.71), with a strong association to ankle dorsiflexion force ( R 2 = 0.81 ± 0.12). Conversely, both the average EMG MDF and RMS were poorly associated with motor unit recruitment. These results clarify the limitations of EMG spectral and amplitude analysis in inferring the neural strategies of muscle control and indicate that, conversely, the average conduction velocity could provide relevant information on these strategies. NEW & NOTEWORTHY The surface EMG provides information on the neural drive to muscles. However, the associations between EMG features and neural drive have been long debated due to unavailability of motor unit population data. Here, by using novel highly accurate decomposition of the EMG, we related motor unit

Distribution of the Ammoniated Species on the Surface of Ceres

Science.gov (United States)

Ammannito, E.; De Sanctis, M. C.; Carrorro, F. G.; Ciarniello, M.; Combe, J. P.; De Angelis, S.; Ehlmann, B. L.; Frigeri, A.; Marchi, S.; McSween, H. Y., Jr.; Raponi, A.; Toplis, M. J.; Tosi, F.; Castillo, J. C.; Capaccioni, F.; Capria, M. T.; Fonte, S.; Giardino, M.; Jaumann, R.; Longobardo, A.; Joy, S. P.; Magni, G.; McCord, T. B.; McFadden, L. A.; Palomba, E.; Pieters, C. M.; Polanskey, C. A.; Prettyman, T. H.; Rayman, M.; Raymond, C. A.; Schenk, P.; Zambon, F.; Russell, C. T.

2016-12-01

The Dawn spacecraft has been acquiring data on dwarf planet Ceres since January 2015 (1). The VIR spectrometer (0.25-5.0 μm) acquired data at different altitudes providing information on the composition of the surface of Ceres at resolutions ranging from few kilometers to about one hundred meters (2). The average spectrum of Ceres is well represented by a mixture of dark minerals, Mg- phyllosilicates, ammoniated clays, and Mg carbonates (3). This result confirms previous studies based on ground based spectra (4, 5). Maps of the surface at about 1 km/px show that the components identified in the average spectrum are present all across the surface with variations in their relative abundance (6). Some localized areas however have peculiar spectral characteristics. One example is the spectrum of the bright regions within Occator crater that is most consistent with a large amount of Na-carbonates and possibly ammonium salts (7). The presence of ammoniated species poses a constraint on the pH and redox condition during the evolution of Ceres. Therefore, we have studied the distribution across the surface of such species to better understand the evolutionary pathway of Ceres. References : (1) Russell, C. T. et al. 2016, Science. (2) De Sanctis M.C. et al., The VIR Spectrometer, 2011, Space Science Reviews. (3) De Sanctis M.C. et al. Ammoniated phyllosilicates on dwarf planet Ceres reveal an outer solar system origin, Nature, 2015. (4) King T. et al. (1992) Science, 255, 1551-1553. (5) Rivkin A.S. et al. (2006) Icarus, 185, 563-567. (6) Ammannito E. et al., Spectral diversity of Ceres surface as measured by VIR, 2016, Science. (7) De Sanctis et al. (2016), Nature

Contributions of solar-wind induced potential sputtering to the lunar surface erosion rate and it's exosphere

Science.gov (United States)

Alnussirat, S. T.; Barghouty, A. F.; Edmunson, J. E.; Sabra, M. S.; Rickman, D. L.

2018-04-01

Sputtering of lunar regolith by solar-wind protons and heavy ions with kinetic energies of about 1 keV/amu is an important erosive process that affects the lunar surface and exosphere. It plays an important role in changing the chemical composition and thickness of the surface layer, and in introducing material into the exosphere. Kinetic sputtering is well modeled and understood, but understanding of mechanisms of potential sputtering has lagged behind. In this study we differentiate the contributions of potential sputtering from the standard (kinetic) sputtering in changing the chemical composition and erosion rate of the lunar surface. Also we study the contribution of potential sputtering in developing the lunar exosphere. Our results show that potential sputtering enhances the total characteristic sputtering erosion rate by about 44%, and reduces sputtering time scales by the same amount. Potential sputtering also introduces more material into the lunar exosphere.

Modeling uranium(VI) adsorption onto montmorillonite under varying carbonate concentrations: A surface complexation model accounting for the spillover effect on surface potential

Science.gov (United States)

Tournassat, C.; Tinnacher, R. M.; Grangeon, S.; Davis, J. A.

2018-01-01

The prediction of U(VI) adsorption onto montmorillonite clay is confounded by the complexities of: (1) the montmorillonite structure in terms of adsorption sites on basal and edge surfaces, and the complex interactions between the electrical double layers at these surfaces, and (2) U(VI) solution speciation, which can include cationic, anionic and neutral species. Previous U(VI)-montmorillonite adsorption and modeling studies have typically expanded classical surface complexation modeling approaches, initially developed for simple oxides, to include both cation exchange and surface complexation reactions. However, previous models have not taken into account the unique characteristics of electrostatic surface potentials that occur at montmorillonite edge sites, where the electrostatic surface potential of basal plane cation exchange sites influences the surface potential of neighboring edge sites ('spillover' effect). A series of U(VI) - Na-montmorillonite batch adsorption experiments was conducted as a function of pH, with variable U(VI), Ca, and dissolved carbonate concentrations. Based on the experimental data, a new type of surface complexation model (SCM) was developed for montmorillonite, that specifically accounts for the spillover effect using the edge surface speciation model by Tournassat et al. (2016a). The SCM allows for a prediction of U(VI) adsorption under varying chemical conditions with a minimum number of fitting parameters, not only for our own experimental results, but also for a number of published data sets. The model agreed well with many of these datasets without introducing a second site type or including the formation of ternary U(VI)-carbonato surface complexes. The model predictions were greatly impacted by utilizing analytical measurements of dissolved inorganic carbon (DIC) concentrations in individual sample solutions rather than assuming solution equilibration with a specific partial pressure of CO2, even when the gas phase was

Recent characterization activities of Midway Valley as a potential repository surface facility site

International Nuclear Information System (INIS)

Gibson, J.D.; Wesling, J.R.; Swan, F.H.; Bullard, T.F.

1992-01-01

Midway Valley, located at the eastern base of Yucca Mountain, Nye County, Nevada, has been identified as a possible location for the surface facilities of a potential high-level nuclear-waste repository. This structural and topographic valley is bounded by two north- trending, down-to-the-west normal faults: the Paintbrush Canyon fault on the east and the Bow Ridge fault on the west. Surface and near-surface geological data have been acquired from Midway Valley during the past three years with particular emphasis on evaluating the existence of Quaternary faults. A detailed (1:6000) surficial geological map has been prepared based on interpretation of new and existing aerial photographs, field mapping, soil pits, and trenches. No evidence was found that would indicate displacement of these surficial deposits along previously unrecognized faults. However, given the low rates of Quaternary faulting and the extensive areas that are covered by late Pleistocene to Holocene deposits south of Sever Wash, Quaternary faulting between known faults cannot be precluded based on surface evidence alone. Middle to late Pleistocene alluvial fan deposits (Unit Q3) exist at or near the surface throughout Midway Valley. Confidence is increased that the potential for surface fault rupture in Midway Valley can be assessed by excavations that expose the deposits and soils associated with Unit Q3 or older units (middle Pleistocene or earlier)

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 doub...... of the complexes, providing valuable results for future experimental investigations. Comparing our results to those previously available for other phosgene complexes, we suggest that the results for Cl2-phosgene should be revised....

Mexican plums (Spondias spp.): their current distribution and potential distribution under climate change scenarios for Mexico

OpenAIRE

Arce-Romero, Antonio Rafael; Monterroso-Rivas, Alejandro Ismael; Gómez-Díaz, Jesús David; Cruz-León, Artemio

2017-01-01

Abstract Plums (Spondias spp.) are species native to Mexico with adaptive, nutritional and ethnobotanical advantages. The aim of this study was to assess the current and potential distribution of two species of Mexican plum: Spondias purpurea L. and Spondias mombin L. The method applied was ecological niche modeling in Maxent software, which has been used in Mexico with good results. In fieldwork, information on the presence of these species in the country was collected. In addition, environm...

THE EFFECTS OF CRACKING ON THE SURFACE POTENTIAL OF ICY GRAINS IN SATURN’S E-RING: LABORATORY STUDIES

Energy Technology Data Exchange (ETDEWEB)

Bu, Caixia; Bahr, David A.; Dukes, Catherine A.; Baragiola, Raúl A., E-mail: cb8nw@virginia.edu [Laboratory for Astrophysics and Surface Physics, Materials Science and Engineering, University of Virginia, Charlottesville, VA 22904 (United States)

2016-07-10

Within Saturn's E-ring, dust grains are coated by water vapor co-released with ice grains from the geyser-like eruptions of Enceladus. These ice-coated grains have intrinsic surface potential and interact synergistically with the ions and electrons of Saturn's magnetospheric plasmas. We perform laboratory experiments to investigate the effects of water-ice growth on the surface potential, using amorphous solid water (ASW) films. We estimate the growth of the surface potential to be ∼ 2.5 mV (Earth) yr{sup 1} and 112 mV yr{sup 1} for E-ring grains at ∼4.5 R {sub s} and 3.95 R {sub s} outside Enceladus’s plume, respectively. In addition, our measurements show that the linear relationship between the surface potential and the film thickness, as described in previous studies, has an upper limit, where the film spontaneously cracks above a porosity-dependent critical thickness. Heating of the cracked films with (and without) deposited charge shows that significant positive (and negative) surface potentials are retained at temperatures above 110 K, contrary to the minimal values (roughly zero) for thin, transparent ASW films. The significant surface potentials observed on micron-scale cracked ice films after thermal cycling, (5–20) V, are consistent with Cassini measurements, which indicate a negative charge of up to 5 V for E-ring dust particles at ∼5 R {sub s}. Therefore, the native grain surface potential resulting from water-vapor coating must be included in modeling studies of interactions between E-ring icy surfaces and Saturn's magnetospheric plasma.

Reconstructing the Surface Permittivity Distribution from Data Measured by the CONSERT Instrument aboard Rosetta: Method and Simulations

Science.gov (United States)

Plettemeier, D.; Statz, C.; Hegler, S.; Herique, A.; Kofman, W. W.

2014-12-01

One of the main scientific objectives of the Comet Nucleus Sounding Experiment by Radiowave Transmission (CONSERT) aboard Rosetta is to perform a dielectric characterization of comet 67P/Chuyurmov-Gerasimenko's nucleus by means of a bi-static sounding between the lander Philae launched onto the comet's surface and the orbiter Rosetta. For the sounding, the lander part of CONSERT will receive and process the radio signal emitted by the orbiter part of the instrument and transmit a signal to the orbiter to be received by CONSERT. CONSERT will also be operated as bi-static RADAR during the descent of the lander Philae onto the comet's surface. From data measured during the descent, we aim at reconstructing a surface permittivity map of the comet at the landing site and along the path below the descent trajectory. This surface permittivity map will give information on the bulk material right below and around the landing site and the surface roughness in areas covered by the instrument along the descent. The proposed method to estimate the surface permittivity distribution is based on a least-squares based inversion approach in frequency domain. The direct problem of simulating the wave-propagation between lander and orbiter at line-of-sight and the signal reflected on the comet's surface is modelled using a dielectric physical optics approximation. Restrictions on the measurement positions by the descent orbitography and limitations on the instrument dynamic range will be dealt with by application of a regularization technique where the surface permittivity distribution and the gradient with regard to the permittivity is projected in a domain defined by a viable model of the spatial material and roughness distribution. The least-squares optimization step of the reconstruction is performed in such domain on a reduced set of parameters yielding stable results. The viability of the proposed method is demonstrated by reconstruction results based on simulated data.

Effective embedded-atom potential for metallic adsorbates on crystalline surfaces

International Nuclear Information System (INIS)

Förster, G D; Magnin, Y; Rabilloud, F; Calvo, F

2014-01-01

Based on the embedded-atom method (EAM), an analytical effective potential is developed to model the interaction of a metallic adsorbate on a perfect crystalline substrate, which is also metallic. The many-body character of the original EAM potential is preserved in the adsorbate energy and in the alteration of the substrate energy due to the presence of the adsorbate. A mean-field-type version neglecting corrugation of the substrate is first derived based on rigorous integration of individual monolayers, followed by an approximate form for the perturbation of the substrate energy. Lateral corrugation is subsequently included by additional phenomenological terms respecting the symmetry of the substrate, again preserving the many-body nature of the original potential. The effective model contains four parameters to describe uncorrugated substrates and eight extra parameters to describe every order of the Fourier lateral expansion. These parameters were fitted to reproduce the adsorption energy of a sample of random configurations of realistic 2D and 3D clusters deposited on the (1 1 1) fcc surface, for metals for which popular EAM models have been parametrized. As a simple application, the local relaxation of pre-formed icosahedral or truncated octahedral clusters soft-landed and exposing (1 1 1) faces in epitaxy to the substrate has been simulated at 0 and 300 K. The deformation of small clusters to wet the substrate is correctly captured by the effective model. This agreement with the exact potential suggests that the present model should be useful for treating metallic environments in large-scale surface studies, notably in structural optimization or as a template for more general models parametrized from ab initio data. (paper)

Impact of vegetation growth on urban surface temperature distribution

International Nuclear Information System (INIS)

Buyadi, S N A; Mohd, W M N W; Misni, A

2014-01-01

Earlier studies have indicated that, the temperature distribution in the urban area is significantly warmer than its surrounding suburban areas. The process of urbanization has created urban heat island (UHI). As a city expands, trees are cut down to accommodate commercial development, industrial areas, roads, and suburban growth. Trees or green areas normally play a vital role in mitigating the UHI effects especially in regulating high temperature in saturated urban areas. This study attempts to assess the effects of vegetation growth on land surface temperature (LST) distribution in urban areas. An area within the City of Shah Alam, Selangor has been selected as the study area. Land use/land cover and LST maps of two different dates are generated from Landsat 5 TM images of the year 1991 and 2009. Only five major land cover classes are considered in this study. Mono-window algorithm is used to generate the LST maps. Landsat 5 TM images are also used to generate the NDVI maps. Results from this study have shown that there are significant land use changes within the study area. Although the conversion of green areas into residential and commercial areas significantly increase the LST, matured trees will help to mitigate the effects of UHI

Construction of an interatomic potential for zinc oxide surfaces by high-dimensional neural networks

Energy Technology Data Exchange (ETDEWEB)

Artrith, Nongnuch; Morawietz, Tobias; Behler, Joerg [Lehrstuhl fuer Theoretische Chemie, Ruhr-Universitaet Bochum, D-44780 Bochum (Germany)

2011-07-01

Zinc oxide (ZnO) is a technologically important material with many applications, e.g. in heterogeneous catalysis. For theoretical studies of the structural properties of ZnO surfaces, defects, and crystal structures it is necessary to simulate large systems over long time-scales with sufficient accuracy. Often, the required system size is not accessible by computationally rather demanding density-functional theory (DFT) calculations. Recently, artificial Neural Networks (NN) trained to first principles data have shown to provide accurate potential-energy surfaces (PESs) for condensed systems. We present the construction and analysis of a NN PES for ZnO. The structural and energetic properties of bulk ZnO and ZnO surfaces are investigated using this potential and compared to DFT calculations.

Surface characterization of hemodialysis membranes based on streaming potential measurements.

Science.gov (United States)

Werner, C; Jacobasch, H J; Reichelt, G

1995-01-01

Hemodialysis membranes made from cellulose (CUPROPHAN, HEMOPHAN) and sulfonated polyethersulfone (SPES) were characterized using the streaming potential technique to determine the zeta potential at their interfaces against well-defined aqueous solutions of varied pH and potassium chloride concentrations. Streaming potential measurements enable distinction between different membrane materials. In addition to parameters of the electrochemical double layer at membrane interfaces, thermodynamic characteristics of adsorption of different solved species were evaluated. For that aim a description of double layer formation as suggested by Börner and Jacobasch (in: Electrokinetic Phenomena, p. 231. Institut für Technologie der Polymere, Dresden (1989)) was applied which is based on the generally accepted model of the electrochemical double layer according to Stern (Z. Elektrochemie 30, 508 (1924)) and Grahame (Chem. Rev. 41, 441 (1947)). The membranes investigated show different surface acidic/basic and polar/nonpolar behavior. Furthermore, alterations of membrane interfaces through adsorption processes of components of biologically relevant solutions were shown to be detectable by streaming potential measurements.

Study of gain-coupled distributed feedback laser based on high order surface gain-coupled gratings

Science.gov (United States)

Gao, Feng; Qin, Li; Chen, Yongyi; Jia, Peng; Chen, Chao; Cheng, LiWen; Chen, Hong; Liang, Lei; Zeng, Yugang; Zhang, Xing; Wu, Hao; Ning, Yongqiang; Wang, Lijun

2018-03-01

Single-longitudinal-mode, gain-coupled distributed feedback (DFB) lasers based on high order surface gain-coupled gratings are achieved. Periodic surface metal p-contacts with insulated grooves realize gain-coupled mechanism. To enhance gain contrast in the quantum wells without the introduction of effective index-coupled effect, groove length and depth were well designed. Our devices provided a single longitudinal mode with the maximum CW output power up to 48.8 mW/facet at 971.31 nm at 250 mA without facet coating, 3dB linewidth (39 dB). Optical bistable characteristic was observed with a threshold current difference. Experimentally, devices with different cavity lengths were contrasted on power-current and spectrum characteristics. Due to easy fabrication technique and stable performance, it provides a method of fabricating practical gain-coupled distributed feedback lasers for commercial applications.

An experimental study of the surface elevation probability distribution and statistics of wind-generated waves

Science.gov (United States)

Huang, N. E.; Long, S. R.

1980-01-01

Laboratory experiments were performed to measure the surface elevation probability density function and associated statistical properties for a wind-generated wave field. The laboratory data along with some limited field data were compared. The statistical properties of the surface elevation were processed for comparison with the results derived from the Longuet-Higgins (1963) theory. It is found that, even for the highly non-Gaussian cases, the distribution function proposed by Longuet-Higgins still gives good approximations.

Distributed Surface Force

Science.gov (United States)

2014-06-01

surface missile SSN nuclear powered attack submarine ST Singapore Technologies T-AKE Lewis and Clarke class TDSI Temasek Defense Systems Institute TRL...total of 313 (Department of the Navy N8 Department 2013). This 306-ship plan includes 12 SSBNs, 48 SSNs , 11 aircraft carriers, 88 cruisers and...MoCil • • West Reef Barque Canada Stloal frinc2 of wales Bank • Reef fat Grair9r Bani< Aneoyna Cltf •Mari\\eles • • • • Nlenwl Bank Ardaser n Dalas

Electric Field Distribution and Switching Impulse Discharge under Shield Ball Surface Scratch Defect in an UHVDC Hall

Directory of Open Access Journals (Sweden)

Jianghai Geng

2018-05-01

Full Text Available The dimension and surface state of shielding fittings in ultra high voltage direct current (UHVDC converter station valve halls have a great influence on their surface electric field and switching impulse characteristics, which are important parameters confirming the air gap distance in the valve hall. The characteristics of impulse discharge under different lengths, dent degrees and burrs around the scratches of Φ1.3 m shield balls with a 2 m sphere-plane gap length were tested, in the UHVDC testing base of the Hebei Electric Power Research Institute. The discharge characteristics under the influence of the surface scratches of the shield ball were obtained. The results demonstrate that the discharge voltage of sphere-plane gap decreases obviously when there are unpolished scratches on the surface of the shield ball. However, when the scratches are polished, the discharge voltage has no significant impact. At the same time, a 1:1 full-scale impulse test model was established based on the finite element method. The electric field intensity and the space electric field distribution of the shield ball were obtained under the influence of scratches with or without burrs. The results of the simulation show that when the surface of the shield ball is smooth, the electric field distribution around it is even. The electric field intensity on the surface of the shield ball increases obviously when there are burrs around the scratches. When there is no burr around the scratches, the length and depth of the scratches have no obvious effect on its electric field distribution. Meanwhile, calculation results are consistent with test results. The results can provide an important basis for the design and optimization of shielding fittings, and technical support for its localization.

The potential for health risks from intrusion of contaminants into the distribution system from pressure transients.

Science.gov (United States)

LeChevallier, Mark W; Gullick, Richard W; Karim, Mohammad R; Friedman, Melinda; Funk, James E

2003-03-01

The potential for public health risks associated with intrusion of contaminants into water supply distribution systems resulting from transient low or negative pressures is assessed. It is shown that transient pressure events occur in distribution systems; that during these negative pressure events pipeline leaks provide a potential portal for entry of groundwater into treated drinking water; and that faecal indicators and culturable human viruses are present in the soil and water exterior to the distribution system. To date, all observed negative pressure events have been related to power outages or other pump shutdowns. Although there are insufficient data to indicate whether pressure transients are a substantial source of risk to water quality in the distribution system, mitigation techniques can be implemented, principally the maintenance of an effective disinfectant residual throughout the distribution system, leak control, redesign of air relief venting, and more rigorous application of existing engineering standards. Use of high-speed pressure data loggers and surge modelling may have some merit, but more research is needed.

Electromotive Potential Distribution and Electronic Leak Currents in Working YSZ Based SOCs

DEFF Research Database (Denmark)

Mogensen, Mogens Bjerg; Jacobsen, Torben

2009-01-01

The size of electronic leak currents through the YSZ electrolyte of solid oxide cells have been calculated using basic solid state electrochemical relations and literature data. The distribution of the electromotive potential, of Galvani potential, of concentration of electrons, e, and electron...... holes, h, was also calculated as these parameters are the basis for the understanding of the electronic conductivity that causes the electronic leak currents. The results are illustrated with examples. The effects of electrolyte thickness, temperature and cell voltage on the electronic leak current...

Remote measurement of surface roughness, surface reflectance, and body reflectance with LiDAR.