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

DEFF Research Database (Denmark)

Quagliotti, Danilo; Baruffi, Federico; Tosello, Guido

2016-01-01

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

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

Directory of Open Access Journals (Sweden)

Frédéric Frappart

2014-12-01

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

Self-consistent potential variations in magnetic wells

International Nuclear Information System (INIS)

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

1981-01-01

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

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

KAUST Repository

Shao, Sihong

2012-01-01

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

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)

Fimbrial phase variation

DEFF Research Database (Denmark)

Khandige, Surabhi; Møller-Jensen, Jakob

2016-01-01

Surface fimbriae of pathogenic Escherichia coli facilitate sensing, adhesion and even invasion of host epithelial cells. While it is known that the pathogen has the potential to express a plethora of fimbrial variants susceptible to rapid phase ON/OFF variation, it is an open question if the fimb......Surface fimbriae of pathogenic Escherichia coli facilitate sensing, adhesion and even invasion of host epithelial cells. While it is known that the pathogen has the potential to express a plethora of fimbrial variants susceptible to rapid phase ON/OFF variation, it is an open question...... if the fimbrial diversity seen at the population level is the product of random stochasticity or a concerted effort based on active communication. Here we discuss the possibility of a mechanism alternative to a stochastic fimbrial phase variation model affecting the dynamics of a heterogeneous population....

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

Science.gov (United States)

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

2018-03-01

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

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

International Nuclear Information System (INIS)

Bao Jingdong; Wang Hongyu

2002-01-01

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

Urbanization Process and Variation of Energy Budget of Land Surfaces

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Ciro Gardi

2007-06-01

Full Text Available Urban areas are increasing at a rate much higher than human population growth in many part of the world; actually more than 73 towns in the world are larger than 1000 km2. The European Environmental Agency indicates an urban area average growth rate, over the last 20 years, of 20%. The urbanization process, and the consequent soil sealing, determines not only the losses of the ecological functions of the soil, but also a variation of the energy budget of land surfaces, that affect the microclimatic conditions (heat islands. The alteration of the energy budget are determined by the variations of albedo and roughness of surfaces, but especially by the net losses of evapotranspirating areas. In the present research we have assessed the variation of Parma territory energy budget, induced by the change in land use over the last 122 years. The urban area increase between 1881 and 2003 was 535%.

A variational model of disjoining pressure: Liquid film on a nonplanar surface

Energy Technology Data Exchange (ETDEWEB)

Silin, D.; Virnovsky, G.

2009-06-01

Variational methods have been successfully used in modelling thin liquid films in numerous theoretical studies of wettability. In this paper, the variational model of the disjoining pressure is extended to the general case of a two-dimensional solid surface. The Helmgoltz free energy functional depends both on the disjoining pressure isotherm and the shape of the solid surface. The augmented Young-Laplace equation (AYLE) is a nonlinear second-order partial differential equation. A number of solutions describing wetting films on spherical grains have been obtained. In the case of cylindrical films, the phase portrait technique describes the entire variety of mathematically feasible solutions. It turns out that a periodic solution, which would describe wave-like wetting films, does not satisfy the Jacobi's condition of the classical calculus of variations. Therefore, such a solution is nonphysical. The roughness of the solid surface significantly affects liquid film stability. AYLE solutions suggest that film rupture is more likely at a location where the pore-wall surface is most exposed into the pore space and the curvature is positive.

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).

Hourly and daily variation of sediment redox potential in tidal wetland sediments

Science.gov (United States)

Catallo, W. James

1999-01-01

Variation of electrochemical oxidation-reduction (redox) potential was examined in surface salt march sediments under conditions of flooding and tidal simulation in mesocosms and field sites. Time series were generated of redox potential measured in sediment profiles at 2-10 cm depth using combination Pt-Ag/AgCl (ORP) electrodes. Redox potential data were acquired at rapid rates (1-55 samples/h) over extended periods (3-104 days) along with similar times series of temperature (water, air, soil) and pH. It was found that redox potential vaired as a result of water level changes and was unrelated to diurnal changes in temperature or pH, the latter of which changed by 370 mV redox potential decrease in under 48 hours). Attenuatoin of microbial activity by [gamma] y-radiation and toxic chemicals elimintated this response. In tidal salt marsh mesocosms where the sediment-plant assemblages were exposed to a simulated diurnal tide, redox potenial oscillations of 40-300 mV amplitude were recoded that has the same periodicity as the flood-drain cycle. Periodic redoc potential time series were observed repeatedly in sediments receiving tidal pulsing but not in those sediments exposed to static hydrological conditions. Data collected over 12 days from a coastal marsh site experiencing diurnal tides showed similar fluctuations in redox potential. Data from the experimentents indicated that (a) redox potential can be a dynamic, nonlinear variable in coastal and estuarine wetland sediments over hourly and daily scales, and the designs of biogeochemical experiments should reflect this, (b) redox potential can change rapidly and signigicantly in coastal wetland sediments in response of flooding and draining, (c) microbial community processes are primarily determinants of the time course of redox potential in wetland sediments, and elimination of inhibition of microbial activity (e.g. by pollutants) can significantly alter that behavior, and (d) fast redox potential dynamics appear

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).

Rock discontinuity surface roughness variation with scale

Science.gov (United States)

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

2017-04-01

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

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.

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

Science.gov (United States)

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

2018-03-01

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

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.

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

Science.gov (United States)

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

2013-04-08

Ecosystems worldwide are suffering the consequences of anthropogenic impact. The diverse ecosystem of coral reefs, for example, are globally threatened by increases in sea surface temperatures due to global warming. Studies to date have focused on determining genetic diversity, the sequence variability of genes in a species, as a proxy to estimate and predict the potential adaptive response of coral populations to environmental changes linked to climate changes. However, the examination of natural gene expression variation has received less attention. This variation has been implicated as an important factor in evolutionary processes, upon which natural selection can act. We acclimatized coral nubbins from six colonies of the reef-building coral Acropora millepora to a common garden in Heron Island (Great Barrier Reef, GBR) for a period of four weeks to remove any site-specific environmental effects on the physiology of the coral nubbins. By using a cDNA microarray platform, we detected a high level of gene expression variation, with 17% (488) of the unigenes differentially expressed across coral nubbins of the six colonies (jsFDR-corrected, p natural variation between reef corals when assessing experimental gene expression differences. The high transcriptional variation detected in this study is interpreted and discussed within the context of adaptive potential and phenotypic plasticity of reef corals. Whether this variation will allow coral reefs to survive to current challenges remains unknown.

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

DEFF Research Database (Denmark)

Albrethsen, Jakob; Bøgebo, Rikke; Olsen, Jesper

2006-01-01

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

Variations of surface ozone concentration across the Klang Valley, Malaysia

Science.gov (United States)

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

2012-12-01

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

Noninvasive monitoring local variations of fever and edema on human: potential for point-of-care inflammation assessment

Science.gov (United States)

Li, Zebin; Li, Xianglin; Li, Ting

2018-02-01

Tissue inflammation is often accompanied by fever and edema, which are common and troublesome problems that probably trigger disability, lymphangitis, cosmetic deformity and cellulitis. Here we developed a device, which can measure concentration and temperature variations of water in local human body by extended near infrared spectroscopy in 900 1000 nm wavelength range. An experiment of four steps incremental cycling exercise was designed to change tissue water concentration and temperature of subjects. Body temperature was also estimated by tympanic thermometer and surface thermometer as comparisons during the experiment. In the stage of recovery after exercise, the signal detected by custom device is similar to tympanic thermometer at the beginning, but it is closer to the temperature of surface later. In particular, this signal shows a better linearity, and a significant change when the exercise was suspended. This study demonstrated the potential of optical touch-sensing for inflammation severity monitoring by measuring water concentration and temperature variations in local lesions.

Transforming high-dimensional potential energy surfaces into sum-of-products form using Monte Carlo methods

Science.gov (United States)

Schröder, Markus; Meyer, Hans-Dieter

2017-08-01

We propose a Monte Carlo method, "Monte Carlo Potfit," for transforming high-dimensional potential energy surfaces evaluated on discrete grid points into a sum-of-products form, more precisely into a Tucker form. To this end we use a variational ansatz in which we replace numerically exact integrals with Monte Carlo integrals. This largely reduces the numerical cost by avoiding the evaluation of the potential on all grid points and allows a treatment of surfaces up to 15-18 degrees of freedom. We furthermore show that the error made with this ansatz can be controlled and vanishes in certain limits. We present calculations on the potential of HFCO to demonstrate the features of the algorithm. To demonstrate the power of the method, we transformed a 15D potential of the protonated water dimer (Zundel cation) in a sum-of-products form and calculated the ground and lowest 26 vibrationally excited states of the Zundel cation with the multi-configuration time-dependent Hartree method.

Unexpected and Unexplained Surface Temperature Variations on Mimas

Science.gov (United States)

Howett, C.; Spencer, J. R.; Pearl, J. C.; Hurford, T. A.; Segura, M.; Cassini Cirs Team

2010-12-01

Until recently it was thought one of the most interesting things about Mimas, Saturn’s innermost classical icy moon, was its resemblance to Star Wars’ Death Star. However, a bizarre pattern of daytime surface temperatures was observed on Mimas using data obtained by Cassini’s Composite Infrared Spectrometer (CIRS) in February 2010. The observations were taken during Cassini’s closest ever encounter with Mimas (<10,000 km) and cover the daytime anti-Saturn hemisphere centered on longitude ~145° W. Instead of surface temperatures smoothly increasing throughout the morning and early afternoon, then cooling in the evening, as expected, a sharp V-shaped boundary is observed separating cooler midday and afternoon temperatures (~77 K) on the leading side from warmer morning temperatures (~92 K) on the trailing side. The boundary’s apex is centered at equatorial latitudes near the anti-Saturn point and extends to low north and south latitudes on the trailing side. Subtle differences in the surface colors have been observed that are roughly spatially correlated with the observed extent of the temperature anomaly, with the cooler regions tending to be bluer (Schenk et al., Submitted). However, visible-wavelength albedo is similar in the two regions, so albedo variations are probably not directly responsible for the thermal anomaly. It is more likely that thermal inertia variations produce the anomaly, with thermal inertia being unusually high in the region with anomalously low daytime temperatures. Comparison of the February 2010 CIRS data to previous lower spatial resolution data taken at different local times tentatively confirm that the cooler regions do indeed display higher thermal inertias. Bombardment of the surface by high energy electrons from Saturn’s radiation belts has been proposed to explain the observed color variations (Schenk et al., Submitted). Electrons above ~1 MeV preferentially impact Mimas’ leading hemisphere at low latitudes where they

Impurities and Electronic Property Variations of Natural MoS 2 Crystal Surfaces

KAUST Repository

Addou, Rafik; McDonnell, Stephen; Barrera, Diego; Guo, Zaibing; Azcatl, Angelica; Wang, Jian; Zhu, Hui; Hinkle, Christopher L.; Quevedo-Lopez, Manuel; Alshareef, Husam N.; Colombo, Luigi; Hsu, Julia W P; Wallace, Robert M.

2015-01-01

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

Impurities and Electronic Property Variations of Natural MoS 2 Crystal Surfaces

KAUST Repository

Addou, Rafik

2015-09-22

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

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

Science.gov (United States)

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

2013-01-01

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

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

International Nuclear Information System (INIS)

Matsutani, Shigeki; Nakano, Kota; Shinjo, Katsuhiko

2011-01-01

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

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.)

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.

VARIATION IN BIOFUEL POTENTIAL OF TWELVE CALOPYLLUM INOPHYLLUM POPULATIONS IN INDONESIA

Directory of Open Access Journals (Sweden)

Budi Leksono

2016-05-01

Full Text Available The global energy crisis has raises demand for biofuel prices. It has driven the world to enhance environmentally-friendly renewable-energy (biofuel production. Oil from the seeds of Calophyllum inophyllum (nyamplung which can be harvested up to 50 years, is one of  such potential biofuel source. Methods for biofuel production from nyamplung seeds have been developed at an industrial scale by cooperative in Cilacap (Java and Energy Self-Sufficient Villages (Desa Mandiri Energi in Banyuwangi, Purworejo, Kebumen, Ujung Kulon (Java and Selayar (South Sulawesi. However, there is only a limited-information available on biofuel potential, in term of  productivity and quality, from nyamplung populations. This paper reports the variations in biofuel potential among 12 populations in Indonesia (6 from Java, 6 outside Java. The oil was extracted using a combination of  vertical hot press (VHP and screw press expeller (SPE methods, followed by degumming to make refined oil, and esterification-transesterification to turn it into biodiesel. The result show great variation of  biofuel content among the population. Oil production percentage varies from 37-48.5% (VHP and 50-58% (SPE crude oil, 36-48% (VHP and 40-53% (SPE refined oil, and 1733% (SPE for biodiesel. Seed resin content is responsible for most of the variation after degumming. DNA analysis shows genetic variation among populations ranges from intermediate within Java to high ouside Java and is intermediate within populations. Information about biofuel content and potential of  populations and genetic variation between and within population are important factors for establishment of  geneticallyimproved seed-sources for biofuel production from nyamplung.

Variations and asymmetries in regional brain surface in the genus Homo.

Science.gov (United States)

Balzeau, Antoine; Holloway, Ralph L; Grimaud-Hervé, Dominique

2012-06-01

Paleoneurology is an important field of research within human evolution studies. Variations in size and shape of an endocast help to differentiate among fossil hominin species whereas endocranial asymmetries are related to behavior and cognitive function. Here we analyse variations of the surface of the frontal, parieto-temporal and occipital lobes among different species of Homo, including 39 fossil hominins, ten fossil anatomically modern Homo sapiens and 100 endocasts of extant modern humans. We also test for the possible asymmetries of these features in a large sample of modern humans and observe individual particularities in the fossil specimens. This study contributes important new information about the brain evolution in the genus Homo. Our results show that the general pattern of surface asymmetry for the different regional brain surfaces in fossil species of Homo does not seem to be different from the pattern described in a large sample of anatomically modern H. sapiens, i.e., the right hemisphere has a larger surface than the left, as do the right frontal, the right parieto-temporal and the left occipital lobes compared with the contra-lateral side. It also appears that Asian Homo erectus specimens are discriminated from all other samples of Homo, including African and Georgian specimens that are also sometimes included in that taxon. The Asian fossils show a significantly smaller relative size of the parietal and temporal lobes. Neandertals and anatomically modern H. sapiens, who share the largest endocranial volume of all hominins, show differences when considering the relative contribution of the frontal, parieto-temporal and occipital lobes. These results illustrate an original variation in the pattern of brain organization in hominins independent of variations in total size. The globularization of the brain and the enlargement of the parietal lobes could be considered derived features observed uniquely in anatomically modern H. sapiens. Copyright

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

Science.gov (United States)

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

2018-05-01

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

Variational transition state theory

International Nuclear Information System (INIS)

Truhlar, D.G.

1986-01-01

This project is concerned with the development and applications of generalized transition state theory and multidimensional tunneling approximations to chemical reaction rates. They have developed and implemented several practical versions of variational transition state theory (VTST), namely canonical variational theory (CVT), improved canonical variational theory (ICVT), and microcanonical variational theory (μVT). They have also developed and implemented several accurate multidimensional semiclassical tunneling approximations, the most accurate of which are the small-curvature semiclassical adiabatic (SCSA), large-curvature version-3 (LC3), and least-action (LA) approximations. They have applied the methods to thermal rate constants, using transmission coefficients based on ground-state tunneling, and they have also presented and applied adiabatic and diabatic extensions to calculated rate constants for vibrationally excited reactants. Their general goal is to develop accurate methods for calculating chemical reaction rate constants that remain practical even for reasonably complicated molecules. The approximations mentioned above yield rate constants for systems whose potential energy surface is known or assumed. Thus a second, equally important aspect of their work is the determination or modeling, semi-empirically and/or from electronic structure calculations, of potential energy surfaces

Use of AMSR-E microwave satellite data for land surface characteristics and snow cover variation

Directory of Open Access Journals (Sweden)

Mukesh Singh Boori

2016-12-01

Full Text Available This data article contains data related to the research article entitled “Global land cover classification based on microwave polarization and gradient ratio (MPGR” [1] and “Microwave polarization and gradient ratio (MPGR for global land surface phenology” [2]. This data article presents land surface characteristics and snow cover variation information from sensors like EOS Advanced Microwave Scanning Radiometer (AMSR-E. This data article use the HDF Explorer, Matlab, and ArcGIS software to process the pixel latitude, longitude, snow water equivalent (SWE, digital elevation model (DEM and Brightness Temperature (BT information from AMSR-E satellite data to provide land surface characteristics and snow cover variation data in all-weather condition at any time. This data information is useful to discriminate different land surface cover types and snow cover variation, which is turn, will help to improve monitoring of weather, climate and natural disasters.

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

Science.gov (United States)

Das, Siddhartha; Chakraborty, Suman

2010-07-06

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

Helicity and potential vorticity in the surface boundary layer turbulence

Science.gov (United States)

Chkhetiani, Otto; Kurgansky, Michael; Koprov, Boris; Koprov, Victor

2016-04-01

An experimental measurement of all three components of the velocity and vorticity vectors, as well as the temperature and its gradient, and potential vorticity, has been developed using four acoustic anemometers. Anemometers were placed at vertices of a tetrahedron, the horizontal base of which was a rectangular triangle with equal legs, and the upper point was exactly above the top of the right angle. The distance from the surface to the tetrahedron its base was 5.5 m, and the lengths of legs and a vertical edge were 5 m. The measurements were carried out of total duration near 100 hours both in stable and unstable stratification conditions (at the Tsimlyansk Scientific Station in a uniform area of virgin steppe 700 x 650 m, August 2012). A covariance-correlation matrix for turbulent variations in all measured values has been calculated. In the daytime horizontal and vertical components of the helicity are of the order of -0.03 and +0.01 m s-2, respectively. The nighttime signs remain unchanged, but the absolute values are several times smaller. It is confirmed also by statistics of a relative helicity. The cospectra and spectral correlation coefficients have been calculated for all helicity components. The time variations in the components of "instantaneous" relative helicity and potential vorticity are considered. Connections of helicity with Monin-Obukhov length and the wind vertical profile structure are discussed. This work was supported by the Russian Science Foundation (Project No 14-27-00134).

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.

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-07-30

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

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

Directory of Open Access Journals (Sweden)

Courtney C Murdock

2017-05-01

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

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

Science.gov (United States)

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

2017-05-01

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

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.

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

Science.gov (United States)

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

2011-01-01

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

A variational approach to bag formation and the quark-antiquark potential

International Nuclear Information System (INIS)

Akiba, T.; Takagi, F.

1983-01-01

A variational approach is used to the Adler problem which is to obtain the color confinement region and the q-anti q static potential from approxiamte effective potentials of quantum chromodynamics. It yields fairly good fits to the Adler-Piran numerical results. (orig.)

Stability Analysis and Variational Integrator for Real-Time Formation Based on Potential Field

Directory of Open Access Journals (Sweden)

Shengqing Yang

2014-01-01

Full Text Available This paper investigates a framework of real-time formation of autonomous vehicles by using potential field and variational integrator. Real-time formation requires vehicles to have coordinated motion and efficient computation. Interactions described by potential field can meet the former requirement which results in a nonlinear system. Stability analysis of such nonlinear system is difficult. Our methodology of stability analysis is discussed in error dynamic system. Transformation of coordinates from inertial frame to body frame can help the stability analysis focus on the structure instead of particular coordinates. Then, the Jacobian of reduced system can be calculated. It can be proved that the formation is stable at the equilibrium point of error dynamic system with the effect of damping force. For consideration of calculation, variational integrator is introduced. It is equivalent to solving algebraic equations. Forced Euler-Lagrange equation in discrete expression is used to construct a forced variational integrator for vehicles in potential field and obstacle environment. By applying forced variational integrator on computation of vehicles' motion, real-time formation of vehicles in obstacle environment can be implemented. Algorithm based on forced variational integrator is designed for a leader-follower formation.

Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model.

Science.gov (United States)

Gozem, Samer; Huntress, Mark; Schapiro, Igor; Lindh, Roland; Granovsky, Alexander A; Angeli, Celestino; Olivucci, Massimo

2012-11-13

The ground state potential energy surface of the retinal chromophore of visual pigments (e.g., bovine rhodopsin) features a low-lying conical intersection surrounded by regions with variable charge-transfer and diradical electronic structures. This implies that dynamic electron correlation may have a large effect on the shape of the force fields driving its reactivity. To investigate this effect, we focus on mapping the potential energy for three paths located along the ground state CASSCF potential energy surface of the penta-2,4-dieniminium cation taken as a minimal model of the retinal chromophore. The first path spans the bond length alternation coordinate and intercepts a conical intersection point. The other two are minimum energy paths along two distinct but kinetically competitive thermal isomerization coordinates. We show that the effect of introducing the missing dynamic electron correlation variationally (with MRCISD) and perturbatively (with the CASPT2, NEVPT2, and XMCQDPT2 methods) leads, invariably, to a stabilization of the regions with charge transfer character and to a significant reshaping of the reference CASSCF potential energy surface and suggesting a change in the dominating isomerization mechanism. The possible impact of such a correction on the photoisomerization of the retinal chromophore is 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

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

International Nuclear Information System (INIS)

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

1999-01-01

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

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.

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

KAUST Repository

Shao, Sihong; Qian, Tiezheng

2012-01-01

We develop a continuum hydrodynamic model for two-phase immiscible flows that involve electroosmotic effect in an electrolyte and moving contact line at solid surfaces. The model is derived through a variational approach based on the Onsager

[Ciliate diversity and spatiotemporal variation in surface sediments of Yangtze River estuary hypoxic zone].

Science.gov (United States)

Feng, Zhao; Kui-Dong, Xu; Zhao-Cui, Meng

2012-12-01

By using denaturing gradient gel electrophoresis (DGGE) and sequencing as well as Ludox-QPS method, an investigation was made on the ciliate diversity and its spatiotemporal variation in the surface sediments at three sites of Yangtze River estuary hypoxic zone in April and August 2011. The ANOSIM analysis indicated that the ciliate diversity had significant difference among the sites (R = 0.896, P = 0.0001), but less difference among seasons (R = 0.043, P = 0.207). The sequencing of 18S rDNA DGGE bands revealed that the most predominant groups were planktonic Choreotrichia and Oligotrichia. The detection by Ludox-QPS method showed that the species number and abundance of active ciliates were maintained at a higher level, and increased by 2-5 times in summer, as compared with those in spring. Both the Ludox-QPS method and the DGGE technique detected that the ciliate diversity at the three sites had the similar variation trend, and the Ludox-QPS method detected that there was a significant variation in the ciliate species number and abundance between different seasons. The species number detected by Ludox-QPS method was higher than that detected by DGGE bands. Our study indicated that the ciliates in Yangtze River estuary hypoxic zone had higher diversity and abundance, with the potential to supply food for the polyps of jellyfish.

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.

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

Behavioral Variation in Gorillas: Evidence of Potential Cultural Traits.

Science.gov (United States)

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

2016-01-01

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

Understanding the Effect of Atmospheric Density on the Cosmic Ray Flux Variations at the Earth Surface

OpenAIRE

Dayananda, Mathes; Zhang, Xiaohang; Butler, Carola; He, Xiaochun

2013-01-01

We report in this letter for the first time the numerical simulations of muon and neutron flux variations at the surface of the earth with varying air densities in the troposphere and stratosphere. The simulated neutron and muon flux variations are in very good agreement with the measured neutron flux variation in Oulu and the muon flux variation in Atlanta. We conclude from this study that the stratosphere air density variation dominates the effects on the muon flux changes while the density...

Near-surface density profiling of Fe ion irradiated Si (100) using extremely asymmetric x-ray diffraction by variation of the wavelength

Energy Technology Data Exchange (ETDEWEB)

Khanbabaee, B., E-mail: khanbabaee@physik.uni-siegen.de; Pietsch, U. [Solid State Physics, University of Siegen, D-57068 Siegen (Germany); Facsko, S. [Helmholtz-Zentrum Dresden-Rossendorf, 01314 Dresden (Germany); Doyle, S. [Synchrotron Light Source ANKA, Hermann-von-Helmholtz-Platz 1, D-76344 Eggenstein-Leopoldshafen (Germany)

2014-10-20

In this work, we report on correlations between surface density variations and ion parameters during ion beam-induced surface patterning process. The near-surface density variations of irradiated Si(100) surfaces were investigated after off-normal irradiation with 5 keV Fe ions at different fluences. In order to reduce the x-ray probing depth to a thickness below 5 nm, the extremely asymmetrical x-ray diffraction by variation of wavelength was applied, exploiting x-ray refraction at the air-sample interface. Depth profiling was achieved by measuring x-ray rocking curves as function of varying wavelengths providing incidence angles down to 0°. The density variation was extracted from the deviations from kinematical Bragg angle at grazing incidence angles due to refraction of the x-ray beam at the air-sample interface. The simulations based on the dynamical theory of x-ray diffraction revealed that while a net near-surface density decreases with increasing ion fluence which is accompanied by surface patterning, there is a certain threshold of ion fluence to surface density modulation. Our finding suggests that the surface density variation can be relevant with the mechanism of pattern formation.

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.

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

Directory of Open Access Journals (Sweden)

GR Nascimento

2011-12-01

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

A three-layer model of self-assembly induced surface-energy variation experimentally extracted by using nanomechanically sensitive cantilevers

International Nuclear Information System (INIS)

Zuo Guomin; Li Xinxin

2011-01-01

This research is aimed at elucidating surface-energy (or interfacial energy) variation during the process of molecule-layer self-assembly on a solid surface. A quasi-quantitative plotting model is proposed and established to distinguish the surface-energy variation contributed by the three characteristic layers of a thiol-on-gold self-assembled monolayer (SAM), namely the assembly-medium correlative gold/head-group layer, the chain/chain interaction layer and the tail/medium layer, respectively. The data for building the model are experimentally extracted from a set of correlative thiol self-assemblies in different media. The variation in surface-energy during self-assembly is obtained by in situ recording of the self-assembly induced nanomechanical surface-stress using integrated micro-cantilever sensors. Based on the correlative self-assembly experiment, and by using the nanomechanically sensitive self-sensing cantilevers to monitor the self-assembly induced surface-stressin situ, the experimentally extracted separate contributions of the three layers to the overall surface-energy change aid a comprehensive understanding of the self-assembly mechanism. Moreover, the quasi-quantitative modeling method is helpful for optimal design, molecule synthesis and performance evaluation of molecule self-assembly for application-specific surface functionalization.

Super-quasi-conformal transformation and Schiffer variation on super-Riemann surface

International Nuclear Information System (INIS)

Takahasi, Wataru

1990-01-01

A set of equations which characterizes the super-Teichmueller deformations is proposed. It is a supersymmetric extension of the Beltrami equation. Relations between the set of equations and the Schiffer variations with the KN bases are discussed. This application of the KN bases shows the powerfulness of the KN theory in the study of super-Riemann surfaces. (author)

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

African Journals Online (AJOL)

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

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

Science.gov (United States)

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

2017-10-01

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

Genetic variation and significance of hepatitis B surface antigen

Directory of Open Access Journals (Sweden)

ZHANG Zhenhua

2013-11-01

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

Behavioral Variation in Gorillas: Evidence of Potential Cultural Traits

Science.gov (United States)

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

2016-01-01

The question of whether any species except humans exhibits culture has generated much debate, partially due to the difficulty of providing conclusive evidence from observational studies in the wild. A starting point for demonstrating the existence of culture that has been used for many species including chimpanzees and orangutans is to show that there is geographic variation in the occurrence of particular behavioral traits inferred to be a result of social learning and not ecological or genetic influences. Gorillas live in a wide variety of habitats across Africa and they exhibit flexibility in diet, behavior, and social structure. Here we apply the ‘method of exclusion’ to look for the presence/absence of behaviors that could be considered potential cultural traits in well-habituated groups from five study sites of the two species of gorillas. Of the 41 behaviors considered, 23 met the criteria of potential cultural traits, of which one was foraging related, nine were environment related, seven involved social interactions, five were gestures, and one was communication related. There was a strong positive correlation between behavioral dissimilarity and geographic distance among gorilla study sites. Roughly half of all variation in potential cultural traits was intraspecific differences (i.e. variability among sites within a species) and the other 50% of potential cultural traits were differences between western and eastern gorillas. Further research is needed to investigate if the occurrence of these traits is influenced by social learning. These findings emphasize the importance of investigating cultural traits in African apes and other species to shed light on the origin of human culture. PMID:27603668

Variational analysis of topological stationary barotropic MHD in the case of single-valued magnetic surfaces

International Nuclear Information System (INIS)

Yahalom, A

2014-01-01

Variational principles for magnetohydrodynamics have been introduced by previous authors both in Lagrangian and Eulerian form. Yahalom and Lynden-Bell (2008) have previously introduced simpler Eulerian variational principles from which all the relevant equations of barotropic magnetohydrodynamics can be derived. These variational principles were given in terms of six independent functions for non-stationary barotropic flows with given topologies and three independent functions for stationary barotropic flows. This is less then the seven variables which appear in the standard equations of barotropic magnetohydrodynamics which are the magnetic field B-vector the velocity field v-vector and the density ρ. Later, Yahalom (2010) introduced a simpler variational principle in terms of four functions for non-stationary barotropic magnetohydrodynamics. It was shown that the above variational principles are also relevant for flows of non-trivial topologies and in fact using those variational variables one arrives at additional topological conservation laws in terms of cuts of variables which have close resemblance to the Aharonov- Bohm phase (Yahalom (2013)). In previous examples (Yahalom and Lynden-Bell (2008); Yahalom (2013)) the magnetic field lines with non-trivial topology were at the intersection of two surface one of which was always multivalued; in this paper an example is introduced in which the magnetic helicity is not zero yet both surfaces are single-valued

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.

Systematic Convergence in Applying Variational Method to Double-Well Potential

Science.gov (United States)

Mei, Wai-Ning

2016-01-01

In this work, we demonstrate the application of the variational method by computing the ground- and first-excited state energies of a double-well potential. We start with the proper choice of the trial wave functions using optimized parameters, and notice that accurate expectation values in excellent agreement with the numerical results can be…

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 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

Mechanisms of Surface Antigenic Variation in the Human Pathogenic Fungus Pneumocystis jirovecii.

Science.gov (United States)

Schmid-Siegert, Emanuel; Richard, Sophie; Luraschi, Amanda; Mühlethaler, Konrad; Pagni, Marco; Hauser, Philippe M

2017-11-07

Microbial pathogens commonly escape the human immune system by varying surface proteins. We investigated the mechanisms used for that purpose by Pneumocystis jirovecii This uncultivable fungus is an obligate pulmonary pathogen that in immunocompromised individuals causes pneumonia, a major life-threatening infection. Long-read PacBio sequencing was used to assemble a core of subtelomeres of a single P. jirovecii strain from a bronchoalveolar lavage fluid specimen from a single patient. A total of 113 genes encoding surface proteins were identified, including 28 pseudogenes. These genes formed a subtelomeric gene superfamily, which included five families encoding adhesive glycosylphosphatidylinositol (GPI)-anchored glycoproteins and one family encoding excreted glycoproteins. Numerical analyses suggested that diversification of the glycoproteins relies on mosaic genes created by ectopic recombination and occurs only within each family. DNA motifs suggested that all genes are expressed independently, except those of the family encoding the most abundant surface glycoproteins, which are subject to mutually exclusive expression. PCR analyses showed that exchange of the expressed gene of the latter family occurs frequently, possibly favored by the location of the genes proximal to the telomere because this allows concomitant telomere exchange. Our observations suggest that (i) the P. jirovecii cell surface is made of a complex mixture of different surface proteins, with a majority of a single isoform of the most abundant glycoprotein, (ii) genetic mosaicism within each family ensures variation of the glycoproteins, and (iii) the strategy of the fungus consists of the continuous production of new subpopulations composed of cells that are antigenically different. IMPORTANCE Pneumocystis jirovecii is a fungus causing severe pneumonia in immunocompromised individuals. It is the second most frequent life-threatening invasive fungal infection. We have studied the mechanisms

[Spatial-temporal variations of spring maize potential yields in a changing climate in Northeast China.

Science.gov (United States)

Liu, Zhi Juan; Yang, Xiao Guang; Lyu, Shuo; Wang, Jing; Lin, Xiao Mao

2018-01-01

Based on meteorological data, agro-meteorological observations, and agricultural statistical data in Northeast China (NEC), by using the validated Agricultural Production System sIMulator (APSIM-maize), the potential, attainable, potential farmers' and actual farmers' yields of spring maize during the period 1961 to 2015 were analyzed, and the effects of climate variation on maize potential yield in NEC were quantified. Results indicated that the potential yield of spring maize was 12.2 t·hm -2 during the period 1961 to 2015, with those in northeast being lower than southwest within the study region. The attainable yield of spring maize was 11.3 t·hm -2 , and showed a similar spatial distribution with potential yield. Under the current farmers' management practices, mean simulated potential and actual farmers' yields were 6.5 and 4.5 t·hm -2 , respectively. Assuming there were no changes in cultivars and management practices in NEC, the mean potential, attainable, and potential farmers' yields of spring maize would decrease by 0.34, 0.25 and 0.10 t·hm -2 per decade in NEC. However, the actual farmers' yields increased with the value of 1.27 t·hm -2 per decade averaged over NEC. Due to climate variation, year-to-year variations of spring maize potential, attainable, and potential farmers' yields were significant, ranging from 10.0 to 14.4, 9.8 to 13.3, 4.4 to 8.5 t·hm -2 , respectively.

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

Science.gov (United States)

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

2015-01-01

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

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

International Nuclear Information System (INIS)

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

2007-01-01

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

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

Variational Approach to Enhanced Sampling and Free Energy Calculations

Science.gov (United States)

Valsson, Omar; Parrinello, Michele

2014-08-01

The ability of widely used sampling methods, such as molecular dynamics or Monte Carlo simulations, to explore complex free energy landscapes is severely hampered by the presence of kinetic bottlenecks. A large number of solutions have been proposed to alleviate this problem. Many are based on the introduction of a bias potential which is a function of a small number of collective variables. However constructing such a bias is not simple. Here we introduce a functional of the bias potential and an associated variational principle. The bias that minimizes the functional relates in a simple way to the free energy surface. This variational principle can be turned into a practical, efficient, and flexible sampling method. A number of numerical examples are presented which include the determination of a three-dimensional free energy surface. We argue that, beside being numerically advantageous, our variational approach provides a convenient and novel standpoint for looking at the sampling problem.

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.

Functional Representation for the Born-Oppenheimer Diagonal Correction and Born-Huang Adiabatic Potential Energy Surfaces for Isotopomers of H3

International Nuclear Information System (INIS)

Mielke, Steven L.; Schwenke, David; Schatz, George C.; Garrett, Bruce C.; Peterson, Kirk A.

2009-01-01

Multireference configuration interaction (MRCI) calculations of the Born-Oppenheimer diagonal correction (BODC) for H3 were performed at 1397 symmetry-unique configurations using the Born-Huang approach; isotopic substitution leads to 4041 symmetry-unique configurations for the DH2 mass combination. These results were then fit to a functional form that permits calculation of the BODC for any combination of isotopes. Mean unsigned fitting errors on a test grid of configurations not included in the fitting process were 0.14, 0.12, and 0.65 cm-1 for the H3, DH2, and MuH2 isotopomers, respectively. This representation can be combined with any Born-Oppenheimer potential energy surface (PES) to yield Born-Huang (BH) PESs; herein we choose the CCI potential energy surface, the uncertainties of which (∼0.01 kcal/mol) are much smaller than the magnitude of the BODC. FORTRAN routines to evaluate these BH surfaces are provided. Variational transition state theory calculations are presented comparing thermal rate constants for reactions on the BO and BH surfaces to provide an initial estimate of the significance of the diagonal correction for the dynamics.

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.

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...

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

International Nuclear Information System (INIS)

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

1979-01-01

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

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...

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

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

Modeling seasonal surface temperature variations in secondary tropical dry forests

Science.gov (United States)

Cao, Sen; Sanchez-Azofeifa, Arturo

2017-10-01

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

Variations of uranium concentrations in a multi-aquifer system under the impact of surface water-groundwater interaction

Science.gov (United States)

Wu, Ya; Li, Junxia; Wang, Yanxin; Xie, Xianjun

2018-04-01

Understanding uranium (U) mobility is vital to minimizing its concentrations in potential drinking water sources. In this study, we report spatial-seasonal variations in U speciation and concentrations in a multi-aquifer system under the impact of Sanggan River in Datong basin, northern China. Hydrochemical and H, O, Sr isotopic data, thermodynamic calculations, and geochemical modeling are used to investigate the mechanisms of surface water-groundwater mixing-induced mobilization and natural attenuation of U. In the study site, groundwater U concentrations are up to 30.2 μg/L, and exhibit strong spatial-seasonal variations that are related to pH and Eh values, as well as dissolved Ca2+, HCO3-, and Fe(III) concentrations. For the alkaline aquifers of this site (pH 7.02-8.44), U mobilization is due to the formation and desorption of Ca2UO2(CO3)30 and CaUO2(CO3)32- caused by groundwater Ca2+ elevation via mineral weathering and Na-Ca exchange, incorporated U(VI) release from calcite, and U(IV) oxidation by Fe(OH)3. U immobilization is linked to the adsorption of CaUO2(CO3)32- and UO2(CO3)34- shifted from Ca2UO2(CO3)30 because of HCO3- elevation and Ca2+ depletion, U(VI) co-precipitation with calcite, and U(VI) reduction by adsorbed Fe2+ and FeS. Those results are of great significance for the groundwater resource management of this and similar other surface water-groundwater interaction zones.

Variation of air--water gas transfer with wind stress and surface viscoelasticity

OpenAIRE

Frew, Nelson M.; Bock, Erik J.; McGillis, Wade R.; Karachintsev, Andrey V.; Hara, Tetsu; Münsterer, Thomas; Jähne, Bernd

1995-01-01

Previous parameterizations of gas transfer velocity have attempted to cast this quantity as a function of wind speed or wind-stress. This study demonstrates that the presence of a surface film is effective at reducing the gas transfer velocity at constant wind-stress. Gas exchange experiments were performed at WHOI and UH using annular wind-wave tanks of different scales. Systematic variations of wind-stress and surfactant concentration (Triton-X-100) were explored to determ...

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

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

Digital Repository Service at National Institute of Oceanography (India)

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

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

Lithium potential variations for metastable materials: case study of nanocrystalline and amorphous LiFePO4.

Science.gov (United States)

Zhu, Changbao; Mu, Xiaoke; Popovic, Jelena; Weichert, Katja; van Aken, Peter A; Yu, Yan; Maier, Joachim

2014-09-10

Much attention has been paid to metastable materials in the lithium battery field, especially to nanocrystalline and amorphous materials. Nonetheless, fundamental issues such as lithium potential variations have not been pertinently addressed. Using LiFePO4 as a model system, we inspect such lithium potential variations for various lithium storage modes and evaluate them thermodynamically. The conclusions of this work are essential for an adequate understanding of the behavior of electrode materials and even helpful in the search for new energy materials.

On the capability of Swarm for surface mass variation monitoring: Quantitative assessment based on orbit information from CHAMP, GRACE and GOCE

Science.gov (United States)

Baur, Oliver; Weigelt, Matthias; Zehentner, Norbert; Mayer-Gürr, Torsten; Jäggi, Adrian

2014-05-01

In the last decade, temporal variations of the gravity field from GRACE observations have become one of the most ubiquitous and valuable sources of information for geophysical and environmental studies. In the context of global climate change, mass balance of the Arctic and Antarctic ice sheets gained particular attention. Because GRACE has outlived its predicted lifetime by several years already, it is very likely that a gap between GRACE and its successor GRACE follow-on (supposed to be launched in 2017, at the earliest) occurs. The Swarm mission - launched on November 22, 2013 - is the most promising candidate to bridge this potential gap, i.e., to directly acquire large-scale mass variation information on the Earth's surface in case of a gap between the present GRACE and the upcoming GRACE follow-on projects. Although the magnetometry mission Swarm has not been designed for gravity field purposes, its three satellites have the characteristics for such an endeavor: (i) low, near-circular and near-polar orbits, (ii) precise positioning with high-quality GNSS receivers, (iii) on-board accelerometers to measure the influence of non-gravitational forces. Hence, from an orbit analysis point of view the Swarm satellites are comparable to the CHAMP, GRACE and GOCE spacecraft. Indeed and as data analysis from CHAMP has been shown, the detection of annual signals and trends from orbit analysis is possible for long-wavelength features of the gravity field, although the accuracy associated with the inter-satellite GRACE measurements cannot be reached. We assess the capability of the (non-dedicated) mission Swarm for mass variation detection in a real-case environment (opposed to simulation studies). For this purpose, we "approximate" the Swarm scenario by the GRACE+CHAMP and GRACE+GOCE constellations. In a first step, kinematic orbits of the individual satellites are derived from GNSS observations. From these orbits, we compute monthly combined GRACE+CHAMP and GRACE

Results from active spacecraft potential control on the Geotail spacecraft

International Nuclear Information System (INIS)

Schmidt, R.; Arends, H.; Pedersen, A.

1995-01-01

A low and actively controlled electrostatic potential on the outer surfaces of a scientific spacecraft is very important for accurate measurements of cold plasma electrons and ions and the DC to low-frequency electric field. The Japanese/NASA Geotail spacecraft carriers as part of its scientific payload a novel ion emitter for active control of the electrostatic potential on the surface of the spacecraft. The aim of the ion emitter is to reduce the positive surface potential which is normally encountered in the outer magnetosphere when the spacecraft is sunlit. Ion emission clamps the surface potential to near the ambient plasma potential. Without emission control, Geotail has encountered plasma conditions in the lobes of the magnetotail which resulted in surface potentials of up to about +70 V. The ion emitter proves to be able to discharge the outer surfaces of the spacecraft and is capable of keeping the surface potential stable at about +2 V. This potential is measured with respect to one of the electric field probes which are current biased and thus kept at a potential slightly above the ambient plasma potential. The instrument uses the liquid metal field ion emission principle to emit indium ions. The ion beam energy is about 6 keV and the typical total emission current amounts to about 15 μA. Neither variations in the ambient plasma conditions nor operation of two electron emitters on Geotail produce significant variations of the controlled surface potential as long as the resulting electron emission currents remain much smaller than the ion emission current. Typical results of the active potential control are shown, demonstrating the surface potential reduction and its stability over time. 25 refs., 5 figs

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

Variations in pCO{sub 2} during summer in the surface water of an unproductive lake in northern Sweden

Energy Technology Data Exchange (ETDEWEB)

Jonsson, A.; Aaberg, J.; Jansson, M. [Dept. of Ecology and Environmental Sci ence, Umeaa Univ., 901 87 Umeaa (Sweden)]. e-mail: anders.jonsson@emg.umu.se

2007-11-15

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

Empirical Mode Decomposition on the sphere: application to the spatial scales of surface temperature variations

Directory of Open Access Journals (Sweden)

N. Fauchereau

2008-06-01

Full Text Available Empirical Mode Decomposition (EMD is applied here in two dimensions over the sphere to demonstrate its potential as a data-adaptive method of separating the different scales of spatial variability in a geophysical (climatological/meteorological field. After a brief description of the basics of the EMD in 1 then 2 dimensions, the principles of its application on the sphere are explained, in particular via the use of a zonal equal area partitioning. EMD is first applied to an artificial dataset, demonstrating its capability in extracting the different (known scales embedded in the field. The decomposition is then applied to a global mean surface temperature dataset, and we show qualitatively that it extracts successively larger scales of temperature variations related, for example, to topographic and large-scale, solar radiation forcing. We propose that EMD can be used as a global data-adaptive filter, which will be useful in analysing geophysical phenomena that arise as the result of forcings at multiple spatial scales.

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.

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

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

Science.gov (United States)

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

1976-01-01

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

Potential Value of Genomic Copy Number Variations in Schizophrenia

Directory of Open Access Journals (Sweden)

Chuanjun Zhuo

2017-06-01

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

Surface Temperature Variation Prediction Model Using Real-Time Weather Forecasts

Science.gov (United States)

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

2015-12-01

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

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

Science.gov (United States)

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

2018-01-01

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

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

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.

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.

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

Science.gov (United States)

Kikunaga, Kazuya; Terasaki, Nao

2018-04-01

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

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

International Nuclear Information System (INIS)

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

2016-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2016-01-01

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

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

Directory of Open Access Journals (Sweden)

D. Gerçek

2016-06-01

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

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

Science.gov (United States)

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

2016-06-01

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

Predicting Potential Fire Severity Using Vegetation, Topography and Surface Moisture Availability in a Eurasian Boreal Forest Landscape

Directory of Open Access Journals (Sweden)

Lei Fang

2018-03-01

Full Text Available Severity of wildfires is a critical component of the fire regime and plays an important role in determining forest ecosystem response to fire disturbance. Predicting spatial distribution of potential fire severity can be valuable in guiding fire and fuel management planning. Spatial controls on fire severity patterns have attracted growing interest, but few studies have attempted to predict potential fire severity in fire-prone Eurasian boreal forests. Furthermore, the influences of fire weather variation on spatial heterogeneity of fire severity remain poorly understood at fine scales. We assessed the relative importance and influence of pre-fire vegetation, topography, and surface moisture availability (SMA on fire severity in 21 lightning-ignited fires occurring in two different fire years (3 fires in 2000, 18 fires in 2010 of the Great Xing’an Mountains with an ensemble modeling approach of boosted regression tree (BRT. SMA was derived from 8-day moderate resolution imaging spectroradiometer (MODIS evapotranspiration products. We predicted the potential distribution of fire severity in two fire years and evaluated the prediction accuracies. BRT modeling revealed that vegetation, topography, and SMA explained more than 70% of variations in fire severity (mean 83.0% for 2000, mean 73.8% for 2010. Our analysis showed that evergreen coniferous forests were more likely to experience higher severity fires than the dominant deciduous larch forests of this region, and deciduous broadleaf forests and shrublands usually burned at a significantly lower fire severity. High-severity fires tended to occur in gentle and well-drained slopes at high altitudes, especially those with north-facing aspects. SMA exhibited notable and consistent negative association with severity. Predicted fire severity from our model exhibited strong agreement with the observed fire severity (mean r2 = 0.795 for 2000, 0.618 for 2010. Our results verified that spatial variation

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...

The variational 2D Boussinesq model for wave propagation over a shoal

NARCIS (Netherlands)

Adytia, D.; van Groesen, Embrecht W.C.

2011-01-01

The Variational Boussinesq Model (VBM) for waves (Klopman et al. 2010) is based on the Hamiltonian structure of gravity surface waves. In its approximation, the fluid potential in the kinetic energy is approximated by the sum of its value at the free surface and a linear combination of vertical

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.

Diurnal and seasonal variations in surface methane at a tropical coastal station: Role of mesoscale meteorology.

Science.gov (United States)

Kavitha, M; Nair, Prabha R; Girach, I A; Aneesh, S; Sijikumar, S; Renju, R

2018-08-01

In view of the large uncertainties in the methane (CH 4 ) emission estimates and the large spatial gaps in its measurements, studies on near-surface CH 4 on regional basis become highly relevant. This paper presents the first time observational results of a study on the impacts of mesoscale meteorology on the temporal variations of near-surface CH 4 at a tropical coastal station, in India. It is based on the in-situ measurements conducted during January 2014 to August 2016, using an on-line CH 4 analyzer working on the principle of gas chromatography. The diurnal variation shows a daytime low (1898-1925ppbv) and nighttime high (1936-2022ppbv) extending till early morning hours. These changes are closely associated with the mesoscale circulations, namely Sea Breeze (SB) and Land Breeze (LB), as obtained through the meteorological observations, WRF simulations of the circulations and the diurnal variation of boundary layer height as observed by the Microwave Radiometer Profiler. The diurnal enhancement always coincides with the onset of LB. Several cases of different onset timings of LB were examined and results presented. The CH 4 mixing ratio also exhibits significant seasonal patterns being maximum in winter and minimum in pre-monsoon/monsoon with significant inter-annual variations, which is also reflected in diurnal patterns, and are associated with changing synoptic meteorology. This paper also presents an analysis of in-situ measured near-surface CH 4 , column averaged and upper tropospheric CH 4 retrieved by Atmospheric Infrared Sounder (AIRS) onboard Earth Observing System (EOS)/Aqua which gives insight into the vertical distribution of the CH 4 over the location. An attempt is also made to estimate the instantaneous radiative forcing for the measured CH 4 mixing ratio. Copyright © 2018 Elsevier B.V. All rights reserved.

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)

Nanoscale surface potential imaging of the photocatalytic TiO2 films on aluminum

DEFF Research Database (Denmark)

Daviðsdóttir, Svava; Dirscherl, Kai; Canulescu, Stela

2013-01-01

in the surface potential of TiO2 coatings upon UV-illumination are closely correlated to the band gap and thickness of the coatings. The inhomogeneity surface potential distribution of a 100 nm TiO2 film indicates a heterogeneous coating. Transition to a homogeneous surface potential distribution was observed...

A variational approach to operator and matrix Pade approximation. Applications to potential scattering and field theory

International Nuclear Information System (INIS)

Mery, P.

1977-01-01

The operator and matrix Pade approximation are defined. The fact that these approximants can be derived from the Schwinger variational principle is emphasized. In potential theory, using this variational aspect it is shown that the matrix Pade approximation allow to reproduce the exact solution of the Lippman-Schwinger equation with any required accuracy taking only into account the knowledge of the first two coefficients in the Born expansion. The deep analytic structure of this variational matrix Pade approximation (hyper Pade approximation) is discussed

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

Diurnal Variations of Titan's Surface Temperatures From Cassini -CIRS Observations

Science.gov (United States)

Cottini, Valeria; Nixon, Conor; Jennings, Don; Anderson, Carrie; Samuelson, Robert; Irwin, Patrick; Flasar, F. Michael

The Cassini Composite Infrared Spectrometer (CIRS) observations of Saturn's largest moon, Titan, are providing us with the ability to detect the surface temperature of the planet by studying its outgoing radiance through a spectral window in the thermal infrared at 19 m (530 cm-1) characterized by low opacity. Since the first acquisitions of CIRS Titan data the in-strument has gathered a large amount of spectra covering a wide range of latitudes, longitudes and local times. We retrieve the surface temperature and the atmospheric temperature pro-file by modeling proper zonally averaged spectra of nadir observations with radiative transfer computations. Our forward model uses the correlated-k approximation for spectral opacity to calculate the emitted radiance, including contributions from collision induced pairs of CH4, N2 and H2, haze, and gaseous emission lines (Irwin et al. 2008). The retrieval method uses a non-linear least-squares optimal estimation technique to iteratively adjust the model parameters to achieve a spectral fit (Rodgers 2000). We show an accurate selection of the wide amount of data available in terms of footprint diameter on the planet and observational conditions, together with the retrieved results. Our results represent formal retrievals of surface brightness temperatures from the Cassini CIRS dataset using a full radiative transfer treatment, and we compare to the earlier findings of Jennings et al. (2009). The application of our methodology over wide areas has increased the planet coverage and accuracy of our knowledge of Titan's surface brightness temperature. In particular we had the chance to look for diurnal variations in surface temperature around the equator: a trend with slowly increasing temperature toward the late afternoon reveals that diurnal temperature changes are present on Titan surface. References: Irwin, P.G.J., et al.: "The NEMESIS planetary atmosphere radiative transfer and retrieval tool" (2008). JQSRT, Vol. 109, pp

Spatio-temporal variations in phytoplankton community structure in ...

African Journals Online (AJOL)

OMARI

2013-09-06

Sep 6, 2013 ... estimating potential fish yield (Descy et al., 2005), .... populations have been conducted in open waters Lake ... Victoria basin Kenya which was stratified in terms of altitude .... Mean monthly variation of surface water pH values in small water bodies ..... Although there was optimal temperature, pH, D.O.

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.

Influence of cloud fraction and snow cover to the variation of surface UV radiation at King Sejong station, Antarctica

Science.gov (United States)

Lee, Yun Gon; Koo, Ja-Ho; Kim, Jhoon

2015-10-01

This study investigated how cloud fraction and snow cover affect the variation of surface ultraviolet (UV) radiation by using surface Erythemal UV (EUV) and Near UV (NUV) observed at the King Sejong Station, Antarctica. First the Radiative Amplification Factor (RAF), the relative change of surface EUV according to the total-column ozone amount, is compared for different cloud fractions and solar zenith angles (SZAs). Generally, all cloudy conditions show that the increase of RAF as SZA becomes larger, showing the larger effects of vertical columnar ozone. For given SZA cases, the EUV transmission through mean cloud layer gradually decreases as cloud fraction increases, but sometimes the maximum of surface EUV appears under partly cloudy conditions. The high surface EUV transmittance under broken cloud conditions seems due to the re-radiation of scattered EUV by cloud particles. NUV transmission through mean cloud layer also decreases as cloud amount increases but the sensitivity to the cloud fraction is larger than EUV. Both EUV and NUV radiations at the surface are also enhanced by the snow cover, and their enhancement becomes higher as SZA increases implying the diurnal variation of surface albedo. This effect of snow cover seems large under the overcast sky because of the stronger interaction between snow surface and cloudy sky.

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.

Potential bags

International Nuclear Information System (INIS)

Ferreira, P.L.; Tomio, L.

1992-01-01

In this paper, relativistic confining potential models, endowed with bag constants associated to volume energy terms, are investigated. In contrast to the usual bag model, these potential bags are distinguished by having smeared bag surfaces. Based on the dynamical assumptions underlying the fuzzy bag model, these bag constants are derived from the corresponding energy-momentum tensor. Explicit expressions for the single-quark energies and for the nucleon bag constant are obtained by means of an improved analytical version of the saddle-point variational method for the Dirac equation with confining power-law potentials of the scalar plus vector (S + V) or pure scalar (S) type

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)

Variationally Optimized Free-Energy Flooding for Rate Calculation

Science.gov (United States)

McCarty, James; Valsson, Omar; Tiwary, Pratyush; Parrinello, Michele

2015-08-01

We propose a new method to obtain kinetic properties of infrequent events from molecular dynamics simulation. The procedure employs a recently introduced variational approach [Valsson and Parrinello, Phys. Rev. Lett. 113, 090601 (2014)] to construct a bias potential as a function of several collective variables that is designed to flood the associated free energy surface up to a predefined level. The resulting bias potential effectively accelerates transitions between metastable free energy minima while ensuring bias-free transition states, thus allowing accurate kinetic rates to be obtained. We test the method on a few illustrative systems for which we obtain an order of magnitude improvement in efficiency relative to previous approaches and several orders of magnitude relative to unbiased molecular dynamics. We expect an even larger improvement in more complex systems. This and the ability of the variational approach to deal efficiently with a large number of collective variables will greatly enhance the scope of these calculations. This work is a vindication of the potential that the variational principle has if applied in innovative ways.

Discharge Estimation in Ungauged Basins Through Variational Data Assimilation: The Potential of the SWOT Mission

Science.gov (United States)

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

2018-03-01

Space-borne instruments can measure river water surface elevation, slope, and width. Remote sensing of river discharge in ungauged basins is far more challenging, however. This work investigates the estimation of river discharge from simulated observations of the forthcoming Surface Water and Ocean Topography (SWOT) satellite mission using a variant of the classical variational data assimilation method "4D-Var." The variational assimilation scheme simultaneously estimates discharge, river bathymetry, and bed roughness in the context of a 1.5 D full Saint-Venant hydraulic model. Algorithms and procedures are developed to apply the method to fully ungauged basins. The method was tested on the Po and Sacramento Rivers. The SWOT hydrology simulator was used to produce synthetic SWOT observations at each overpass time by simulating the interaction of SWOT radar measurements with the river water surface and nearby land surface topography at a scale of approximately 1 m, thus accounting for layover, thermal noise, and other effects. SWOT data products were synthesized by vectorizing the simulated radar returns, leading to height and width estimates at 200 m increments along the river centerlines. The ingestion of simulated SWOT data generally led to local improvements on prior bathymetry and roughness estimates which allowed the prediction of river discharge at the overpass times with relative root mean squared errors of 12.1% and 11.2% for the Po and Sacramento Rivers, respectively. Nevertheless, equifinality issues that arise from the simultaneous estimation of bed elevation and roughness may prevent their use for different applications, other than discharge estimation through the presented framework.

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.

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.

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

Science.gov (United States)

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

2018-01-01

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

Forcing Mechanisms for the Variations of Near-surface Temperature Lapse Rates along the Himalayas, Tibetan Plateau (HTP) and Their Surroundings

Science.gov (United States)

Kattel, D. B.; Yao, T.; Ullah, K.; Islam, G. M. T.

2016-12-01

This study investigates the monthly characteristics of near-surface temperature lapse rates (TLRs) (i.e., governed by surface energy balance) based on the 176 stations 30-year (1980 to 2010) dataset covering a wide range of topography, climatic regime and relief (4801 m) in the HTP and its surroundings. Empirical analysis based on techniques in thermodynamics and hydrostatic system were used to obtain the results. Steepest TLRs in summer is due to strong dry convection and shallowest in winter is due to inversion effect is the general pattern of TLR that reported in previous studies in other mountainous region. Result of this study reports a contrast variation of TLRs from general patterns, and suggest distinct forcing mechanisms in an annual cycle. Shallower lapse rate occurs in summer throughout the regions is due to strong heat exchange process within the boundary layer, corresponding to the warm and moist atmospheric conditions. There is a systematic differences of TLRs in winter between the northern and southern slopes the Himalayas. Steeper TLRs in winter on the northern slopes is due to intense cooling at higher elevations, corresponding to the continental dry and cold air surges, and considerable snow-temperature feedback. The differences in elevation and topography, as well as the distinct variation of turbulent heating and cooling, explain the contrast TLRs (shallower) values in winter on the southern slopes. Distinct diurnal variations of TLRs and its magnitudes between alpine, dry, humid and coastal regions is due to the variations of adiabatic mixing during the daytime in the boundary layer i.e., associated with the variations in net radiations, elevation, surface roughness and sea surface temperature. The findings of this study is useful to determine the temperature range for accurately modelling in various field such as hydrology, glaciology, ecology, forestry, agriculture, as well as inevitable for climate downscaling in complex mountainous terrain.

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®.

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

Two-dimensional potential and charge distributions of positive surface streamer

International Nuclear Information System (INIS)

Tanaka, Daiki; Matsuoka, Shigeyasu; Kumada, Akiko; Hidaka, Kunihiko

2009-01-01

Information on the potential and the field profile along a surface discharge is required for quantitatively discussing and clarifying the propagation mechanism. The sensing technique with a Pockels crystal has been developed for directly measuring the potential and electric field distribution on a dielectric material. In this paper, the Pockels sensing system consists of a pulse laser and a CCD camera for measuring the instantaneous two-dimensional potential distribution on a 25.4 mm square area with a 50 μm sampling pitch. The temporal resolution is 3.2 ns which is determined by the pulse width of the laser emission. The transient change in the potential distribution of a positive surface streamer propagating in atmospheric air is measured with this system. The electric field and the charge distributions are also calculated from the measured potential profile. The propagating direction component of the electric field near the tip of the propagating streamer reaches 3 kV mm -1 . When the streamer stops, the potential distribution along a streamer forms an almost linear profile with the distance from the electrode, and its gradient is about 0.5 kV mm -1 .

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

Directory of Open Access Journals (Sweden)

Elis Dener Lima Alves

2016-12-01

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

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.

Convergence analysis of variational and non-variational multigrid algorithms for the Laplace-Beltrami operator

KAUST Repository

Bonito, Andrea

2012-09-01

We design and analyze variational and non-variational multigrid algorithms for the Laplace-Beltrami operator on a smooth and closed surface. In both cases, a uniform convergence for the V -cycle algorithm is obtained provided the surface geometry is captured well enough by the coarsest grid. The main argument hinges on a perturbation analysis from an auxiliary variational algorithm defined directly on the smooth surface. In addition, the vanishing mean value constraint is imposed on each level, thereby avoiding singular quadratic forms without adding additional computational cost. Numerical results supporting our analysis are reported. In particular, the algorithms perform well even when applied to surfaces with a large aspect ratio. © 2011 American Mathematical Society.

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.

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

NARCIS (Netherlands)

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

2010-01-01

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

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.

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

Science.gov (United States)

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

2017-11-01

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

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

Science.gov (United States)

Greenhalgh, Abigail; Showers, Melissa; Biewer, Theodore

2017-10-01

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

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.

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

Science.gov (United States)

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

2015-01-01

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

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.

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

International Nuclear Information System (INIS)

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

2010-01-01

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

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...

Detection of a surface breaking crack by using the centroid variations of laser ultrasonic spectrums

International Nuclear Information System (INIS)

Park, Seung Kyu; Baik, Sung Hoon; Lim, Chang Hwan; Joo, Young Sang; Jung, Hyun Kyu; Cha, Hyung Ki; Kang, Young June

2006-01-01

A laser ultrasonic system is a non-contact inspection device with a wide-band spectrum and a high spatial resolution. It provides absolute measurements of the moving distance and it can be applied to hard-to-access locations including curved or rough surfaces like in a nuclear power plant. In this paper, we have investigated the detection methods of the depth of a surface-breaking crack by using the surface wave of a laser ultrasound. The filtering function of a surface-breaking crack is a kind of a low-pass filter. The higher frequency components are more highly decreased in proportion to the crack depth. Also, the center frequency value of each ultrasound spectrum is decreased in proportion to the crack depth. We extracted the depth information of a surface-breaking crack by observing the centroid variation of the frequency spectrum. We describe the experimental results to detect the crack depth information by using the peak-to-valley values in the time domain and the center frequency values in the frequency domain.

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

Upper mantle compositional variations and discontinuity topography imaged beneath Australia from Bayesian inversion of surface-wave phase velocities and thermochemical modeling

DEFF Research Database (Denmark)

Khan, A.; Zunino, Andrea; Deschamps, F.

2013-01-01

Here we discuss the nature of velocity heterogeneities seen in seismic tomography images of Earth's mantle whose origins and relation to thermochemical variations are yet to be understood. We illustrate this by inverting fundamental-mode and higher-order surface-wave phase velocities for radial....../Fe and Mg/Si values relative to surrounding mantle. Correlated herewith are thermal variations that closely follow surface tectonics. We also observe a strong contribution to lateral variations in structure and topography across the “410 km” seismic discontinuity from thermochemically induced phase......-wave tomography models with other regional models is encouraging. Radial anisotropy is strongest at 150/200 km depth beneath oceanic/continental areas, respectively, and appears weak and homogeneous below. Finally, geoid anomalies are computed for a subset of sampled model and compared to observations....

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

Directory of Open Access Journals (Sweden)

S. Chatani

2011-08-01

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

Variation in primary and culture-expanded cells derived from connective tissue progenitors in human bone marrow space, bone trabecular surface and adipose tissue.

Science.gov (United States)

Qadan, Maha A; Piuzzi, Nicolas S; Boehm, Cynthia; Bova, Wesley; Moos, Malcolm; Midura, Ronald J; Hascall, Vincent C; Malcuit, Christopher; Muschler, George F

2018-03-01

Connective tissue progenitors (CTPs) embody the heterogeneous stem and progenitor cell populations present in native tissue. CTPs are essential to the formation and remodeling of connective tissue and represent key targets for tissue-engineering and cell-based therapies. To better understand and characterize CTPs, we aimed to compare the (i) concentration and prevalence, (ii) early in vitro biological behavior and (iii) expression of surface-markers and transcription factors among cells derived from marrow space (MS), trabecular surface (TS), and adipose tissues (AT). Cancellous-bone and subcutaneous-adipose tissues were collected from 8 patients. Cells were isolated and cultured. Colony formation was assayed using Colonyze software based on ASTM standards. Cell concentration ([Cell]), CTP concentration ([CTP]) and CTP prevalence (P CTP ) were determined. Attributes of culture-expanded cells were compared based on (i) effective proliferation rate and (ii) expression of surface-markers CD73, CD90, CD105, SSEA-4, SSEA-3, SSEA-1/CD15, Cripto-1, E-Cadherin/CD324, Ep-CAM/CD326, CD146, hyaluronan and transcription factors Oct3/4, Sox-2 and Nanog using flow cytometry. Mean [Cell], [CTP] and P CTP were significantly different between MS and TS samples (P = 0.03, P = 0.008 and P= 0.0003), respectively. AT-derived cells generated the highest mean total cell yield at day 6 of culture-4-fold greater than TS and more than 40-fold greater than MS per million cells plated. TS colonies grew with higher mean density than MS colonies (290 ± 11 versus 150 ± 11 cell per mm 2 ; P = 0.0002). Expression of classical-mesenchymal stromal cell (MSC) markers was consistently recorded (>95%) from all tissue sources, whereas all the other markers were highly variable. The prevalence and biological potential of CTPs are different between patients and tissue sources and lack variation in classical MSC markers. Other markers are more likely to discriminate differences

A variational proof of Thomson's theorem

Energy Technology Data Exchange (ETDEWEB)

Fiolhais, Miguel C.N., E-mail: miguel.fiolhais@cern.ch [Department of Physics, City College of the City University of New York, 160 Convent Avenue, New York, NY 10031 (United States); Department of Physics, New York City College of Technology, 300 Jay Street, Brooklyn, NY 11201 (United States); LIP, Department of Physics, University of Coimbra, 3004-516 Coimbra (Portugal); Essén, Hanno [Department of Mechanics, Royal Institute of Technology (KTH), Stockholm SE-10044 (Sweden); Gouveia, Tomé M. [Cavendish Laboratory, 19 JJ Thomson Avenue, Cambridge CB3 0HE (United Kingdom)

2016-08-12

Thomson's theorem of electrostatics, which states the electric charge on a set of conductors distributes itself on the conductor surfaces to minimize the electrostatic energy, is reviewed in this letter. The proof of Thomson's theorem, based on a variational principle, is derived for a set of normal charged conductors, with and without the presence of external electric fields produced by fixed charge distributions. In this novel approach, the variations are performed on both the charge densities and electric potentials, by means of a local Lagrange multiplier associated with Poisson's equation, constraining the two variables.

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

Science.gov (United States)

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

2018-03-01

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

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.

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

Directory of Open Access Journals (Sweden)

N. Tsukahara

2012-01-01

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

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

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.

Variational Boussinesq model for simulation of coastal waves and tsunamis

NARCIS (Netherlands)

Adytia, D.; Adytia, Didit; van Groesen, Embrecht W.C.; Tan, Soon Keat; Huang, Zhenhua

2009-01-01

In this paper we describe the basic ideas of a so-called Variational Boussinesq Model which is based on the Hamiltonian structure of gravity surface waves. By using a rather simple approach to prescribe the profile of vertical fluid potential in the expression for the kinetic energy, we obtain a set

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

Science.gov (United States)

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

2018-05-01

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

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.

Potential Cost Savings From Reduction of Regional Variation in Medicare Spending

Directory of Open Access Journals (Sweden)

Yunjie Song

2016-04-01

Full Text Available Potential cost savings estimated from reduction of regional variation in Medicare spending are considerable but questioned. This article evaluates the validity of the principal methods that have been used in the estimations of the potential savings. Three estimation approaches were identified. The first approach uses adjusted expenditures to calculate avoidable costs, but adjusted expenditures can be independent of avoidable costs, and measurement errors are not controlled. The second approach uses an outcome variable to replace its causal factors, and is not acceptable because the association between the outcomes and the causes is untestable. The final approach uses surveys to directly measure physician beliefs and patient preferences, but the sole study using this approach is weakened by sample selection biases and incomplete controls. A development of reliable measures and a switch of observation from clinic settings to geographic contexts could make the estimations more convincing.

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.

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.

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

Science.gov (United States)

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

2018-05-01

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

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

Directory of Open Access Journals (Sweden)

Huilin Gao

2016-01-01

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

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

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

International Nuclear Information System (INIS)

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

1994-01-01

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

Surface adhesion and confinement variation of Staphylococcus aurius on SAM surfaces

Science.gov (United States)

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

2012-02-01

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

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

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

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

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

NARCIS (Netherlands)

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

2012-01-01

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

Regional variations of cell surface carbohydrates in human oral stratified epithelium

DEFF Research Database (Denmark)

Vedtofte, P; Dabelsteen, Erik; Hakomori, S

1984-01-01

The distribution of blood group carbohydrate chains with antigen A, B, H type 2 chain (A and B precursor), and N-acetyllactosamine (H type 2 precursor) specificity was studied in human oral epithelium from different anatomical regions. These represented various epithelial differentiation patterns...... epithelium from nine blood group A, two blood group B, and nine blood group O individuals. The blood group carbohydrate chains were examined in tissue sections by immunofluorescence microscopy. The A and B blood group antigens were detected by human blood group sera, and antigen H type 2 chains and N...... antigen H type 2 chains in metaplastically keratinized buccal epithelium was found to differ significantly from that seen in normal non-keratinized buccal epithelium. The regional variations demonstrated in cell surface carbohydrates are suggested to reflect differences in tissue differentiation....

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

Directory of Open Access Journals (Sweden)

Shabbir Ahmed

2003-01-01

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

Complex Kohn variational principle for two-nucleon bound-state and scattering with the tensor potential

International Nuclear Information System (INIS)

Araujo Junior, C.F. de; Adhikari, S.K.; Tomio, L.

1993-10-01

Complex Kohn variational principle is applied to the numerical solution of the fully off-shell Lippmann-Schwinger equation for nucleon-nucleon scattering for various partial waves including the coupled 3 S 1 - 3 D 1 channel. Analytic expressions are obtained for all the integrals in the method for a suitable choice of expansion functions. Calculations with the partial waves 1 S 0 , 1 P 1 , 1 D 2 , and 3 S 1 - 3 D 1 of the Reid soft core potential show that the method converges faster than other solution schemes not only for the phase shift but also for the off-shell t matrix elements. It is also shown that its is trivial to modify this variational principle in order to make it suitable for bound-stage calculations. The bound-state approach is illustrated for the 3 S 1 - 3 D 1 channel of the Reid soft-core potential for calculating the deuteron binding, wave function and the D state asymptotic parameters. (author)

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

Surface potential measurement of insulators in negative-ion implantation by secondary electron energy-peak shift

International Nuclear Information System (INIS)

Nagumo, Shoji; Toyota, Yoshitaka; Tsuji, Hiroshi; Gotoh, Yasuhito; Ishikawa, Junzo; Sakai, Shigeki; Tanjyo, Masayasu; Matsuda, Kohji.

1993-01-01

Negative-ion implantation is expected to realize charge-up free implantation. In this article, about a way to specify surface potential of negative-ion implanted insulator by secondary-electron-energy distribution, its principle and preliminary experimental results are described. By a measuring system with retarding field type energy analyzer, energy distribution of secondary electron from insulator of Fused Quartz in negative-carbon-ion implantation was measured. As a result the peak-shift of its energy distribution resulted according with the surface potential of insulator. It was found that surface potential of insulator is negatively charged by only several volts. Thus, negative-ion implanted insulator reduced its surface charge-up potential (without any electron supply). Therefore negative-ion implantation is considered to be much more effective method than conventional positive-ion implantation. (author)

Does the hybrid light source (LED/laser) influence temperature variation on the enamel surface during 35% hydrogen peroxide bleaching? A randomized clinical trial.

Science.gov (United States)

de Freitas, Patricia Moreira; Menezes, Andressa Nery; da Mota, Ana Carolina Costa; Simões, Alyne; Mendes, Fausto Medeiros; Lago, Andrea Dias Neves; Ferreira, Leila Soares; Ramos-Oliveira, Thayanne Monteiro

2016-01-01

The present study investigated how a hybrid light source (LED/laser) influences temperature variation on the enamel surfaces during 35% hydrogen peroxide (HP) bleaching. Effects on the whitening effectiveness and tooth sensitivity were analyzed. Twenty-two volunteers were randomly assigned to two different treatments in a split-mouth experimental model: group 1 (control), 35% HP; group 2 (experimental), 35% HP + LED/laser. Color evaluation was performed before treatment, and 7 and 14 days after completion of bleaching, using a color shade scale. Tooth sensitivity was assessed using a visual analog scale (VAS; before, immediately, and 24 hours after bleaching). During the bleaching treatment, thermocouple channels positioned on the tooth surfaces recorded the temperature. Data on color and temperature changes were subjected to statistical analysis (α = 5%). Tooth sensitivity data were evaluated descriptively. Groups 1 and 2 showed mean temperatures (± standard deviation) of 30.7 ± 1.2 °C and 34.1 ± 1.3 °C, respectively. It was found that there were statistically significant differences between the groups, with group 2 showing higher mean variation (P enamel surface. The color change results showed no differences in bleaching between the two treatment groups (P = .177). The variation of the average temperature during the treatments was not statistically associated with color variation (P = .079). Immediately after bleaching, it was found that 36.4% of the subjects in group 2 had mild to moderate sensitivity. In group 1, 45.5% showed moderate sensitivity. In both groups, the sensitivity ceased within 24 hours. Hybrid light source (LED/ laser) influences temperature variation on the enamel surface during 35% HP bleaching and is not related to greater tooth sensitivity.

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.

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.

Cold atoms close to surfaces

DEFF Research Database (Denmark)

Krüger, Peter; Wildermuth, Stephan; Hofferberth, Sebastian

2005-01-01

Microscopic atom optical devices integrated on atom chips allow to precisely control and manipulate ultra-cold (T atoms and Bose-Einstein condensates (BECs) close to surfaces. The relevant energy scale of a BEC is extremely small (down to ... be utilized as a sensor for variations of the potential energy of the atoms close to the surface. Here we describe how to use trapped atoms as a measurement device and analyze the performance and flexibility of the field sensor. We demonstrate microscopic magnetic imaging with simultaneous high spatial...

Variations in water balance and recharge potential at three western desert sites

International Nuclear Information System (INIS)

Gee, G.W.; Fayer, M.J.; Rockhold, M.L.; Wierenga, P.J.; Young, M.H.; Andraski, B.J.

1994-01-01

Radioactive and hazardous waste landfills exist at numerous desert locations in the USA. At these locations, annual precipitation is low and soils are generally dry, yet little is known about recharge of water and transport of contaminants to the water table. Recent water balance measurements made at three desert locations, Las Cruces, NM, Beatty, NV, and the U.S. Department of Energy's Hanford Site in the state of Washington, provide information on recharge potential under three distinctly different climate and soil conditions. All three sites show water storage increases with time when soils are coarse textured and plants are removed from the surface, the rate of increase being influenced by climatic variables such as precipitation, radiation, temperature, and wind. Lysimeter data from Hanford and Las Cruces indicate that deep drainage (recharge) from bare, sandy soils can range from 10 to > 50% of the annual precipitation. At Hanford, when desert plants are present on sandy or gravelly surface soils, deep drainage is reduced but not eliminated. When surface soils are silt loams, deep drainage is eliminated whether plants are present or not. At Las Cruces and Beatty, the presence of plants eliminated deep drainage at the measurement sites. Differences in water balance between sites are attributed to precipitation quantity and distribution and to soil and vegetation types. The implication of waste management at desert locations is that surface soil properties and plant characteristics must be considered in waste site design in order to minimize recharge potential. 39 refs., 9 figs., 3 tabs

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

Effects of geometric modulation and surface potential heterogeneity on electrokinetic flow and solute transport in a microchannel

Science.gov (United States)

Bera, Subrata; Bhattacharyya, S.

2018-04-01

A numerical investigation is performed on the electroosmotic flow (EOF) in a surface-modulated microchannel to induce enhanced solute mixing. The channel wall is modulated by placing surface-mounted obstacles of trigonometric shape along which the surface potential is considered to be different from the surface potential of the homogeneous part of the wall. The characteristics of the electrokinetic flow are governed by the Laplace equation for the distribution of external electric potential; the Poisson equation for the distribution of induced electric potential; the Nernst-Planck equations for the distribution of ions; and the Navier-Stokes equations for fluid flow simultaneously. These nonlinear coupled set of governing equations are solved numerically by a control volume method over the staggered system. The influence of the geometric modulation of the surface, surface potential heterogeneity and the bulk ionic concentration on the EOF is analyzed. Vortical flow develops near a surface modulation, and it becomes stronger when the surface potential of the modulated region is in opposite sign to the surface potential of the homogeneous part of the channel walls. Vortical flow also depends on the Debye length when the Debye length is in the order of the channel height. Pressure drop along the channel length is higher for a ribbed wall channel compared to the grooved wall case. The pressure drop decreases with the increase in the amplitude for a grooved channel, but increases for a ribbed channel. The mixing index is quantified through the standard deviation of the solute distribution. Our results show that mixing index is higher for the ribbed channel compared to the grooved channel with heterogeneous surface potential. The increase in potential heterogeneity in the modulated region also increases the mixing index in both grooved and ribbed channels. However, the mixing performance, which is the ratio of the mixing index to pressure drop, reduces with the rise in

Seasonal variation of monomethylmercury concentrations in surface sediments of the Tagus Estuary (Portugal)

International Nuclear Information System (INIS)

Canario, Joao; Branco, Vasco; Vale, Carlos

2007-01-01

Surface sediments (0-2 cm) were collected at 40 sites along the Tagus Estuary in July and December 2004. The sediments were analysed for total mercury, monomethylmercury (MMHg) and interpretative parameters (e.g. redox potential, pH, C org ). No significant differences in total Hg, pH, Al, Fe, Mn and C org were found between sediments collected in the two periods, but MMHg concentrations were higher in July. On average sediments were warmer and more reducing in summer. On the basis of these results, an increase of 7 kg of MMHg (+37%) in surface sediments of the Tagus Estuary was estimated. Presumably higher temperatures in summer promote the increase of microbial activity and higher methylation rates. The alterations observed in this study point to the potential importance of seasonal changes in MMHg production at surface sediments with eventual changes in the MMHg uptake by benthic invertebrates and other organisms in the food web. - Seasonal changes in monomethylmercury production in sediments may increase its uptake by benthic invertebrates and other organisms in the food web

Spatial distribution of potential near surface moisture flux at Yucca Mountain

International Nuclear Information System (INIS)

Flint, A.L.; Flint, L.E.

1994-01-01

An estimate of the areal distribution of present-day surface liquid moisture flux at Yucca Mountain was made using field measured water contents and laboratory measured rock properties. Using available data for physical and hydrologic properties (porosity, saturated hydraulic conductivity, moisture retention functions) of the volcanic rocks, surface lithologic units that are hydrologically similar were delineated. Moisture retention and relative permeability functions were assigned to each surface unit based on the similarity of the mean porosity and saturated hydraulic conductivity of the surface unit to laboratory samples of the same lithology. The potential flux into the mountain was estimated for each surface hydrologic unit using the mean saturated hydraulic conductivity for each unit and assuming all matrix flow. Using measured moisture profiles for each of the surface units, estimates were made of the depth at which seasonal fluctuations diminish and steady state downward flux conditions are likely to exist. The hydrologic properties at that depth were used with the current relative saturation of the tuff, to estimate flux as the unsaturated hydraulic conductivity. This method assumes a unit gradient. The range in estimated flux was 0.02 mm/yr for the welded Tiva Canyon to 13.4 mm/yr for the nonwelded Paintbrush Tuff. The areally averaged flux was 1.4 mm/yr. The major zones of high flux occur to the north of the potential repository boundary where the nonwelded tuffs are exposed in the major drainages

Spatial distribution of potential near surface moisture flux at Yucca Mountain

International Nuclear Information System (INIS)

Flint, A.L.; Flint, L.E.

1994-01-01

An estimate of the areal distribution of present-day surface liquid moisture flux at Yucca Mountain was made using field measured water contents and laboratory measured rock properties. Using available data for physical and hydrologic properties (porosity, saturated hydraulic conductivity moisture retention functions) of the volcanic rocks, surface lithologic units that are hydrologically similar were delineated. Moisture retention and relative permeability functions were assigned to each surface unit based on the similarity of the mean porosity and saturated hydraulic conductivity of the surface unit to laboratory samples of the same lithology. The potential flux into the mountain was estimated for each surface hydrologic unit using the mean saturated hydraulic conductivity for each unit and assuming all matrix flow. Using measured moisture profiles for each of the surface units, estimates were made of the depth at which seasonal fluctuations diminish and steady state downward flux conditions are likely to exist. The hydrologic properties at that depth were used with the current relative saturation of the tuff, to estimate flux as the unsaturated hydraulic conductivity. This method assumes a unit gradient. The range in estimated flux was 0.02 mm/yr for the welded Tiva Canyon to 13.4 mm/yr for the nonwelded Paintbrush Tuff. The areally averaged flux was 1.4 mm/yr. The major zones of high flux occur to the north of the potential repository boundary where the nonwelded tuffs are exposed in the major drainages

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.

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

Science.gov (United States)

Ferrandiz, Jose; Barkin, Yury

2010-05-01

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

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.

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.

Quantitative Assessment of Variational Surface Reconstruction from Sparse Point Clouds in Freehand 3D Ultrasound Imaging during Image-Guided Tumor Ablation

Directory of Open Access Journals (Sweden)

Shuangcheng Deng

2016-04-01

Full Text Available Surface reconstruction for freehand 3D ultrasound is used to provide 3D visualization of a VOI (volume of interest during image-guided tumor ablation surgery. This is a challenge because the recorded 2D B-scans are not only sparse but also non-parallel. To solve this issue, we established a framework to reconstruct the surface of freehand 3D ultrasound imaging in 2011. The key technique for surface reconstruction in that framework is based on variational interpolation presented by Greg Turk for shape transformation and is named Variational Surface Reconstruction (VSR. The main goal of this paper is to evaluate the quality of surface reconstructions, especially when the input data are extremely sparse point clouds from freehand 3D ultrasound imaging, using four methods: Ball Pivoting, Power Crust, Poisson, and VSR. Four experiments are conducted, and quantitative metrics, such as the Hausdorff distance, are introduced for quantitative assessment. The experiment results show that the performance of the proposed VSR method is the best of the four methods at reconstructing surface from sparse data. The VSR method can produce a close approximation to the original surface from as few as two contours, whereas the other three methods fail to do so. The experiment results also illustrate that the reproducibility of the VSR method is the best of the four methods.

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.

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.

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

Directory of Open Access Journals (Sweden)

Juan Wang

2015-03-01

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

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)

Annual and latitudinal variations of surface fluxes and meteorological variables at Arctic terrestrial sites

Science.gov (United States)

Grachev, Andrey; Uttal, Taneil; Persson, Ola; Konopleva-Akish, Elena; Crepinsek, Sara; Cox, Christopher; Fairall, Christopher; Makshtas, Alexander; Repina, Irina

2016-04-01

This study analyzes and discusses seasonal and latitudinal variations of surface fluxes (turbulent, radiative, and soil ground heat) and other ancillary surface/snow/permafrost data based on in-situ measurements made at two long-term research observatories near the coast of the Arctic Ocean located in Canada and Russia. The hourly averaged data collected at Eureka (Canadian territory of Nunavut) and Tiksi (East Siberia) located at two quite different latitudes (80.0 N and 71.6 N respectively) are analyzed in details to describe the seasons in the Arctic. Although Eureka and Tiksi are located at the different continents and at the different latitudes, the annual course of the surface meteorology and the surface fluxes are qualitatively very similar. The air and soil temperatures display the familiar strong seasonal trend with maximum of measured temperatures in mid-summer and minimum during winter. According to our data, variation in incoming short-wave solar radiation led the seasonal pattern of the air and soil temperatures, and the turbulent fluxes. During the dark Polar nights, air and ground temperatures are strongly controlled by long-wave radiation associated generally with cloud cover. Due to the fact that in average the higher latitudes receive less solar radiation than lower latitudes, a length of the convective atmospheric boundary layer (warm season) is shorter and middle-summer amplitude of the turbulent fluxes is generally less in Eureka than in Tiksi. However, since solar elevation angle at local midnight in the middle of Arctic summer is higher for Eureka as compared to Tiksi, stable stratification and upward turbulent flux for carbon dioxide is generally did not observed at Eureka site during summer seasons. It was found a high correlation between the turbulent fluxes of sensible and latent heat, carbon dioxide and the net solar radiation. A comprehensive evaluation of energy balance closure problem is performed based on the multi-year data sets

Surface ozone at Nam Co in the inland Tibetan Plateau: variation, synthesis comparison and regional representativeness

Directory of Open Access Journals (Sweden)

X. Yin

2017-09-01

Full Text Available Ozone is an important pollutant and greenhouse gas, and tropospheric ozone variations are generally associated with both natural and anthropogenic processes. As one of the most pristine and inaccessible regions in the world, the Tibetan Plateau has been considered as an ideal region for studying processes of the background atmosphere. Due to the vast area of the Tibetan Plateau, sites in the southern, northern and central regions exhibit different patterns of variation in surface ozone. Here, we present continuous measurements of surface ozone mixing ratios at Nam Co Station over a period of  ∼ 5 years (January 2011 to October 2015, which is a background site in the inland Tibetan Plateau. An average surface ozone mixing ratio of 47.6 ± 11.6 ppb (mean ± standard deviation was recorded, and a large annual cycle was observed with maximum ozone mixing ratios in the spring and minimum ratios during the winter. The diurnal cycle is characterized by a minimum in the early morning and a maximum in the late afternoon. Nam Co Station represents a background region where surface ozone receives negligible local anthropogenic emissions inputs, and the anthropogenic contribution from South Asia in spring and China in summer may affect Nam Co Station occasionally. Surface ozone at Nam Co Station is mainly dominated by natural processes involving photochemical reactions, vertical mixing and downward transport of stratospheric air mass. Model results indicate that the study site is affected differently by the surrounding areas in different seasons: air masses from the southern Tibetan Plateau contribute to the high ozone levels in the spring, and enhanced ozone levels in the summer are associated with air masses from the northern Tibetan Plateau. By comparing measurements at Nam Co Station with those from other sites on the Tibetan Plateau, we aim to expand the understanding of ozone cycles and transport processes over the Tibetan Plateau

Surface ozone at Nam Co in the inland Tibetan Plateau: variation, synthesis comparison and regional representativeness

Science.gov (United States)

Yin, Xiufeng; Kang, Shichang; de Foy, Benjamin; Cong, Zhiyuan; Luo, Jiali; Zhang, Lang; Ma, Yaoming; Zhang, Guoshuai; Rupakheti, Dipesh; Zhang, Qianggong

2017-09-01

Ozone is an important pollutant and greenhouse gas, and tropospheric ozone variations are generally associated with both natural and anthropogenic processes. As one of the most pristine and inaccessible regions in the world, the Tibetan Plateau has been considered as an ideal region for studying processes of the background atmosphere. Due to the vast area of the Tibetan Plateau, sites in the southern, northern and central regions exhibit different patterns of variation in surface ozone. Here, we present continuous measurements of surface ozone mixing ratios at Nam Co Station over a period of ˜ 5 years (January 2011 to October 2015), which is a background site in the inland Tibetan Plateau. An average surface ozone mixing ratio of 47.6 ± 11.6 ppb (mean ± standard deviation) was recorded, and a large annual cycle was observed with maximum ozone mixing ratios in the spring and minimum ratios during the winter. The diurnal cycle is characterized by a minimum in the early morning and a maximum in the late afternoon. Nam Co Station represents a background region where surface ozone receives negligible local anthropogenic emissions inputs, and the anthropogenic contribution from South Asia in spring and China in summer may affect Nam Co Station occasionally. Surface ozone at Nam Co Station is mainly dominated by natural processes involving photochemical reactions, vertical mixing and downward transport of stratospheric air mass. Model results indicate that the study site is affected differently by the surrounding areas in different seasons: air masses from the southern Tibetan Plateau contribute to the high ozone levels in the spring, and enhanced ozone levels in the summer are associated with air masses from the northern Tibetan Plateau. By comparing measurements at Nam Co Station with those from other sites on the Tibetan Plateau, we aim to expand the understanding of ozone cycles and transport processes over the Tibetan Plateau. This work may provide a

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

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.

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

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

Science.gov (United States)

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

2012-01-01

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

Effect of water table dynamics on land surface hydrologic memory

Science.gov (United States)

Lo, Min-Hui; Famiglietti, James S.

2010-11-01

The representation of groundwater dynamics in land surface models has received considerable attention in recent years. Most studies have found that soil moisture increases after adding a groundwater component because of the additional supply of water to the root zone. However, the effect of groundwater on land surface hydrologic memory (persistence) has not been explored thoroughly. In this study we investigate the effect of water table dynamics on National Center for Atmospheric Research Community Land Model hydrologic simulations in terms of land surface hydrologic memory. Unlike soil water or evapotranspiration, results show that land surface hydrologic memory does not always increase after adding a groundwater component. In regions where the water table level is intermediate, land surface hydrologic memory can even decrease, which occurs when soil moisture and capillary rise from groundwater are not in phase with each other. Further, we explore the hypothesis that in addition to atmospheric forcing, groundwater variations may also play an important role in affecting land surface hydrologic memory. Analyses show that feedbacks of groundwater on land surface hydrologic memory can be positive, negative, or neutral, depending on water table dynamics. In regions where the water table is shallow, the damping process of soil moisture variations by groundwater is not significant, and soil moisture variations are mostly controlled by random noise from atmospheric forcing. In contrast, in regions where the water table is very deep, capillary fluxes from groundwater are small, having limited potential to affect soil moisture variations. Therefore, a positive feedback of groundwater to land surface hydrologic memory is observed in a transition zone between deep and shallow water tables, where capillary fluxes act as a buffer by reducing high-frequency soil moisture variations resulting in longer land surface hydrologic memory.

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.

Variation in nutrient characteristics of surface soils from the Luquillo Experimental Forest of Puerto Rico: A multivariate perspective.

Science.gov (United States)

S. B. Cox; M. R. Willig; F. N. Scatena

2002-01-01

We assessed the effects of landscape features (vegetation type and topography), season, and spatial hierarchy on the nutrient content of surface soils in the Luquillo Experimental Forest (LEF) of Puerto Rico. Considerable spatial variation characterized the soils of the LEF, and differences between replicate sites within each combination of vegetation type (tabonuco vs...

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.

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.

Microbial nitrogen transformation potential in surface run-off leachate from a tropical landfill

International Nuclear Information System (INIS)

Mangimbulude, Jubhar C.; Straalen, Nico M. van; Röling, Wilfred F.M.

2012-01-01

Highlights: ► Microbial nitrogen transformations can alleviate toxic ammonium discharge. ► Aerobic ammonium oxidation was rate-limiting in Indonesian landfill leachate. ►Organic nitrogen ammonification was most dominant. ► Anaerobic nitrate reduction and ammonium oxidation potential were also high. ► A two-stage aerobic-anaerobic nitrogen removal system needs to be implemented. - Abstract: Ammonium is one of the major toxic compounds and a critical long-term pollutant in landfill leachate. Leachate from the Jatibarang landfill in Semarang, Indonesia, contains ammonium in concentrations ranging from 376 to 929 mg N L −1 . The objective of this study was to determine seasonal variation in the potential for organic nitrogen ammonification, aerobic nitrification, anaerobic nitrate reduction and anaerobic ammonium oxidation (anammox) at this landfilling site. Seasonal samples from leachate collection treatment ponds were used as an inoculum to feed synthetic media to determine potential rates of nitrogen transformations. Aerobic ammonium oxidation potential ( −1 h −1 ) was more than a hundred times lower than the anaerobic nitrogen transformation processes and organic nitrogen ammonification, which were of the same order of magnitude. Anaerobic nitrate oxidation did not proceed beyond nitrite; isolates grown with nitrate as electron acceptor did not degrade nitrite further. Effects of season were only observed for aerobic nitrification and anammox, and were relatively minor: rates were up to three times higher in the dry season. To completely remove the excess ammonium from the leachate, we propose a two-stage treatment system to be implemented. Aeration in the first leachate pond would strongly contribute to aerobic ammonium oxidation to nitrate by providing the currently missing oxygen in the anaerobic leachate and allowing for the growth of ammonium oxidisers. In the second pond the remaining ammonium and produced nitrate can be converted by a

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.

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

International Nuclear Information System (INIS)

Romanelli, M.

1999-09-01

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

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…

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

Genetic variation in degradability of wheat straw and potential for improvement through plant breeding

DEFF Research Database (Denmark)

Jensen, Jacob Wagner; Magid, Jakob; Hansen-Møller, Jens

2011-01-01

contemporary gene pool. The cultivars were grown at two different locations to assess the potential for breeding for improved degradability. The straws exhibited much variation in degradability ranging from 258 g kg1 to 407 g kg1 of dry matter. The heritability for degradability was estimated to 29% indicating...... a reasonable potential for response to selection. Inclusion of height as a regression-term, indicated that only a minor part of genetic differences are directly related to plant height and that improvements in degradability may be achieved without unacceptable changes in straw length. Finally, a lack...... of correlation between degradability and grain yield indicated that straw degradability may be improved through breeding without serious negative effect on grain yield....

Estimation of wind power potential of the Gulf of Finland

DEFF Research Database (Denmark)

Monzikova, Anna K.; Kudryavtsev, V.N.; Larsen, Søren Ejling

2013-01-01

boundary layer. Calculations of the wind power potential take into account effect of the atmospheric stratification over the water surface and peculiarities of the surface roughness in the presence of ice cover. Evaluations of the number of wind turbines needed to «replace» electricity production......An assessment of wind power potential of the eastern part of the Gulf of Finland and its seasonal variations are presented. Measurements taken from meteorological stations around the coastline are used as the input data. Calculations are based on the similarity theory for the atmospheric planetary...

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

Science.gov (United States)

Fumagalli, Ivan; Parolini, Nicola; Verani, Marco

2018-02-01

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

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

Directory of Open Access Journals (Sweden)

Gregory Pelletier

2018-01-01

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

SPATIAL AND TEMPORAL VARIATION OF LAND SURFACE TEMPERATURE IN FUJIAN PROVINCE FROM 2001 TO 2015

Directory of Open Access Journals (Sweden)

Y. Li

2018-04-01

Full Text Available Land surface temperature (LST is an essential parameter in the physics of land surface processes. The spatiotemporal variations of LST on the Fujian province were studied using AQUA Moderate Resolution Imaging Spectroradiometer LST data. Considering the data gaps in remotely sensed LST products caused by cloud contamination, the Savitzky-Golay (S-G filter method was used to eliminate the influence of cloud cover and to describe the periodical signals of LST. Observed air temperature data from 27 weather stations were employed to evaluate the fitting performance of the S-G filter method. Results indicate that S-G can effectively fit the LST time series and remove the influence of cloud cover. Based on the S-G-derived result, Spatial and temporal Variations of LST in Fujian province from 2001 to 2015 are analysed through slope analysis. The results show that: 1 the spatial distribution of annual mean LST generally exhibits consistency with altitude in the study area and the average of LST was much higher in the east than in the west. 2 The annual mean temperature of LST declines slightly among 15 years in Fujian. 3 Slope analysis reflects the spatial distribution characteristics of LST changing trend in Fujian.Improvement areas of LST are mainly concentrated in the urban areas of Fujian, especially in the eastern urban areas. Apparent descent areas are mainly distributed in the area of Zhangzhou and eastern mountain area.

Spatial and Temporal Variation of Land Surface Temperature in Fujian Province from 2001 TO 2015

Science.gov (United States)

Li, Y.; Wang, X.; Ding, Z.

2018-04-01

Land surface temperature (LST) is an essential parameter in the physics of land surface processes. The spatiotemporal variations of LST on the Fujian province were studied using AQUA Moderate Resolution Imaging Spectroradiometer LST data. Considering the data gaps in remotely sensed LST products caused by cloud contamination, the Savitzky-Golay (S-G) filter method was used to eliminate the influence of cloud cover and to describe the periodical signals of LST. Observed air temperature data from 27 weather stations were employed to evaluate the fitting performance of the S-G filter method. Results indicate that S-G can effectively fit the LST time series and remove the influence of cloud cover. Based on the S-G-derived result, Spatial and temporal Variations of LST in Fujian province from 2001 to 2015 are analysed through slope analysis. The results show that: 1) the spatial distribution of annual mean LST generally exhibits consistency with altitude in the study area and the average of LST was much higher in the east than in the west. 2) The annual mean temperature of LST declines slightly among 15 years in Fujian. 3) Slope analysis reflects the spatial distribution characteristics of LST changing trend in Fujian.Improvement areas of LST are mainly concentrated in the urban areas of Fujian, especially in the eastern urban areas. Apparent descent areas are mainly distributed in the area of Zhangzhou and eastern mountain area.

[Seasonal variation of Tamarix ramosissima and Populus euphratica water potentials in southern fringe of Taklamakan Desert].

Science.gov (United States)

Zeng, Fanjiang; Zhang, Ximing; Li, Xiangyi; Foetzki, Andrea; Runge, Michael

2005-08-01

The measurement of the seasonal and diurnal variations of Tamarix ramosissima and Populus euphratica water potentials in the southern fringe of Taklamakan Desert indicated that there was no apparent water stress for the two species during their growth period, with little change of predawn water potential and some extent decrease of midday water potential. Irrigation once or thinning had no significant effects on the water status of the plants, while groundwater appeared to be a prerequisite for the survival and growth of these species. It is very important to ensure a stable groundwater table for the restoration of Tamarix ramosissima and Populus euphratica in this area.

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)

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

Directory of Open Access Journals (Sweden)

Sirous Haashemi

2016-04-01

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

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

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.

Raman-atomic force microscopy of the ommatidial surfaces of Dipteran compound eyes

Science.gov (United States)

Anderson, Mark S.; Gaimari, Stephen D.

2003-01-01

The ommatidial lens surfaces of the compound eyes in several species of files (Insecta: Diptera) and a related order (Mecoptera) were analyzed using a recently developed Raman-atomic force microscope. We demonstrate in this work that the atomic force microscope (AFM) is a potentially useful instrument for gathering phylogenetic data and that the newly developed Raman-AFM may extend this application by revealing nanometer-scale surface chemistry. This is the first demonstration of apertureless near-field Raman spectroscopy on an intact biological surface. For Chrysopilus testaceipes Bigot (Rhagionidae), this reveals unique cerebral cortex-like surface ridges with periodic variation in height and surface chemistry. Most other Brachyceran flies, and the "Nematoceran" Sylvicola fenestralis (Scopoli) (Anisopodidae), displayed the same morphology, while other taxa displayed various other characteristics, such as a nodule-like (Tipula (Triplicitipula) sp. (Tipulidae)) or coalescing nodule-like (Tabanus punctifer Osten Sacken (Tabanidae)) morphology, a smooth morphology with distinct pits and grooves (Dilophus orbatus (Say) (Bibionidae)), or an entirely smooth surface (Bittacus chlorostigma MacLachlan (Mecoptera: Bittacidae)). The variation in submicrometer structure and surface chemistry provides a new information source of potential phylogenetic importance, suggesting the Raman-atomic force microscope could provide a new tool useful to systematic and evolutionary inquiry.

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.

Nuclear momentum distribution and potential energy surface in hexagonal ice

Science.gov (United States)

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

2011-03-01

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

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.

Etalon (standard) for surface potential distribution produced by electric activity of the heart.

Science.gov (United States)

Szathmáry, V; Ruttkay-Nedecký, I

1981-01-01

The authors submit etalon (standard) equipotential maps as an aid in the evaluation of maps of surface potential distributions in living subjects. They were obtained by measuring potentials on the surface of an electrolytic tank shaped like the thorax. The individual etalon maps were determined in such a way that the parameters of the physical dipole forming the source of the electric field in the tank corresponded to the mean vectorcardiographic parameters measured in a healthy population sample. The technique also allows a quantitative estimate of the degree of non-dipolarity of the heart as the source of the electric field.

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

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

A general definition of the heritable variation that determines the potential of a population to respond to selection.

Science.gov (United States)

Bijma, Piter

2011-12-01

Genetic selection is a major force shaping life on earth. In classical genetic theory, response to selection is the product of the strength of selection and the additive genetic variance in a trait. The additive genetic variance reflects a population's intrinsic potential to respond to selection. The ordinary additive genetic variance, however, ignores the social organization of life. With social interactions among individuals, individual trait values may depend on genes in others, a phenomenon known as indirect genetic effects. Models accounting for indirect genetic effects, however, lack a general definition of heritable variation. Here I propose a general definition of the heritable variation that determines the potential of a population to respond to selection. This generalizes the concept of heritable variance to any inheritance model and level of organization. The result shows that heritable variance determining potential response to selection is the variance among individuals in the heritable quantity that determines the population mean trait value, rather than the usual additive genetic component of phenotypic variance. It follows, therefore, that heritable variance may exceed phenotypic variance among individuals, which is impossible in classical theory. This work also provides a measure of the utilization of heritable variation for response to selection and integrates two well-known models of maternal genetic effects. The result shows that relatedness between the focal individual and the individuals affecting its fitness is a key determinant of the utilization of heritable variance for response to selection.

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)

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

Genetic variation of hepatitis B surface antigen among acute and chronic hepatitis B virus infections in The Netherlands.

Science.gov (United States)

Cremer, Jeroen; Hofstraat, Sanne H I; van Heiningen, Francoise; Veldhuijzen, Irene K; van Benthem, Birgit H B; Benschop, Kimberley S M

2018-05-24

Genetic variation within hepatitis B surface antigen (HBsAg), in particular within the major hydrophobic region (MHR), is related to immune/vaccine and test failures and can have a significant impact on the vaccination and diagnosis of acute infection. This study shows, for the first time, variation among acute cases and compares the amino acid variation within the HBsAg between acute and chronic infections. We analyzed the virus isolated from 1231 acute and 585 chronic cases reported to an anonymized public health surveillance database between 2004 and 2014 in The Netherlands. HBsAg analysis revealed the circulation of 6 genotypes (Gt); GtA was the dominant genotype followed by GtD among both acute (68.2% and 17.4%, respectively) and chronic (34.9% and 34.2%, respectively) cases. Variation was the highest among chronic strains compared to that among acute strains. Both acute and chronic GtD showed the highest variation compared to that of other genotypes (P < .01). Substitutions within the MHR were found in 8.5% of the acute strains and 18.6% of the chronic strains. Specific MHR substitutions described to have an impact on vaccine/immune escape and/or HBsAg test failure were found among 4.1% of the acute strains and 7.0% of the chronic strains. In conclusion, we show a high variation of HBsAg among acute and chronic hepatitis B virus-infected cases in The Netherlands, in particular among those infected with GtD, and compare, for the first time, variation in frequencies between acute and chronic cases. Additional studies on the impact of these variations on vaccination and test failure need to be conducted, as well as whether HBsAg false-negative variants have been missed. © 2018 The Authors. Journal of Medical Virology Published by Wiley Periodicals, Inc.

Mosaic VSGs and the scale of Trypanosoma brucei antigenic variation.

Directory of Open Access Journals (Sweden)

James P J Hall

Full Text Available A main determinant of prolonged Trypanosoma brucei infection and transmission and success of the parasite is the interplay between host acquired immunity and antigenic variation of the parasite variant surface glycoprotein (VSG coat. About 0.1% of trypanosome divisions produce a switch to a different VSG through differential expression of an archive of hundreds of silent VSG genes and pseudogenes, but the patterns and extent of the trypanosome diversity phenotype, particularly in chronic infection, are unclear. We applied longitudinal VSG cDNA sequencing to estimate variant richness and test whether pseudogenes contribute to antigenic variation. We show that individual growth peaks can contain at least 15 distinct variants, are estimated computationally to comprise many more, and that antigenically distinct 'mosaic' VSGs arise from segmental gene conversion between donor VSG genes or pseudogenes. The potential for trypanosome antigenic variation is probably much greater than VSG archive size; mosaic VSGs are core to antigenic variation and chronic infection.

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)

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

International Nuclear Information System (INIS)

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

1996-01-01

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

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....

Seasonal Variations in Surface Metabolite Composition of Fucus vesiculosus and Fucus serratus from the Baltic Sea.

Directory of Open Access Journals (Sweden)

Esther Rickert

Full Text Available Perennial macroalgae within the genus Fucus are known to exude metabolites through their outer thallus surface. Some of these metabolites have pro- and/or antifouling properties. Seasonal fluctuations of natural fouling pressure and chemical fouling control strength against micro- and macrofoulers have previously been observed in Fucus, suggesting that control strength varies with threat. To date, a study on the seasonal composition of surface associated metabolites, responsible for much of the fouling control, has not been done. We sampled individuals of the two co-occurring species F. vesiculosus and F. serratus at monthly intervals (six per species and month during a one-year field study. We analysed the chemical composition of surface associated metabolites of both Fucus species by means of gas chromatography-mass spectrometry (GC-MS to describe temporal patterns in chemical surface composition. Additionally, we correlated abiotic and biotic parameters recorded monthly within the sampled habitat with the variation in the chemical surface landscape of Fucus. Our study revealed that the chemical surface composition of both Fucus species exhibits substantial seasonal differences between spring/summer and autumn/winter months. Light and temperature explained most of the seasonal variability in surface metabolite composition of both Fucus species. A strong summerly up-regulation of eighteen saccharides and two hydroxy acids in F. vesiculosus as well as of four fatty acids and two saccharides in F. serratus was observed. We discuss how these up-regulated molecules may have a complex effect on associated microfoulers, both promoting or decreasing fouling depending on metabolite and bacterial identity. These seasonal shifts in the surface metabolome seem to exert a compound control of density and composition of the Fucus associated biofilm.

Theoretical studies of the work functions of Pd-based bimetallic surfaces

International Nuclear Information System (INIS)

Ding, Zhao-Bin; Wu, Feng; Wang, Yue-Chao; Jiang, Hong

2015-01-01

Work functions of Pd-based bimetallic surfaces, including mainly M/Pd(111), Pd/M, and Pd/M/Pd(111) (M = 4d transition metals, Cu, Au, and Pt), are studied using density functional theory. We find that the work function of these bimetallic surfaces is significantly different from that of parent metals. Careful analysis based on Bader charges and electron density difference indicates that the variation of the work function in bimetallic surfaces can be mainly attributed to two factors: (1) charge transfer between the two different metals as a result of their different intrinsic electronegativity, and (2) the charge redistribution induced by chemical bonding between the top two layers. The first factor can be related to the contact potential, i.e., the work function difference between two metals in direct contact, and the second factor can be well characterized by the change in the charge spilling out into vacuum. We also find that the variation in the work functions of Pd/M/Pd(111) surfaces correlates very well with the variation of the d-band center of the surface Pd atom. The findings in this work can be used to provide general guidelines to design new bimetallic surfaces with desired electronic properties

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.

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)

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.

Effect of concentration and pH on the surface-enhanced Raman scattering of captopril on nano-colloidal silver surface

Science.gov (United States)

Gao, Junxiang; Gu, Huaimin; Liu, Fangfang; Dong, Xiao; Xie, Min; Hu, Yongjun

2011-07-01

In this report, Raman and surface-enhanced Raman scattering (SERS) spectra of captopril are studied in detail. Herein, the Raman bands are assigned by the density functional theory (DFT) calculations and potential energy distributions (PED) based on internal coordinates of the molecule, which are found to be in good agree with the experimental values. Furthermore, the concentration and pH dependence of the SERS intensity of the molecule is discussed. By analyzing the intensities variation of SERS bands of the different concentrations of captopril solution, it can be concluded that the molecules orientation adsorbed on the silver nanoparticles surface change with the change of the concentrations. The variation of SERS spectra of captopril with the change of pH suggests that the interaction among the adsorbates with Ag cluster depend on the protonated state of the adsorbate and the aggregation of silver nanoparticles.

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

International Nuclear Information System (INIS)

Kim, Jung Soo; Kim, Min Soo; Lee, Kwan Soo; Kim, Ook Joong

2007-01-01

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

Signal and noise in Gravity Recovery and Climate Experiment (GRACE) observed surface mass variations

NARCIS (Netherlands)

Schrama, E.J.O.; Wouters, B.; Lavallée, D.A.

2007-01-01

The Gravity Recovery and Climate Experiment (GRACE) product used for this study consists of 43 monthly potential coefficient sets released by the GRACE science team which are used to generate surface mass thickness grids expressed as equivalent water heights (EQWHs). We optimized both the smoothing

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.

Electrostatic attraction between overall neutral surfaces.

Science.gov (United States)

Adar, Ram M; Andelman, David; Diamant, Haim

2016-08-01

Two overall neutral surfaces with positively and negatively charged domains ("patches") have been shown in recent experiments to exhibit long-range attraction when immersed in an ionic solution. Motivated by the experiments, we calculate analytically the osmotic pressure between such surfaces within the Poisson-Boltzmann framework, using a variational principle for the surface-averaged free energy. The electrostatic potential, calculated beyond the linear Debye-Hückel theory, yields an overall attraction at large intersurface separations, over a wide range of the system's controlled length scales. In particular, the attraction is stronger and occurs at smaller separations for surface patches of larger size and charge density. In this large patch limit, we find that the attraction-repulsion crossover separation is inversely proportional to the square of the patch-charge density and to the Debye screening length.

Seasonal variation and potential sources of Cryptosporidium contamination in surface waters of Chao Phraya River and Bang Pu Nature Reserve pier, Thailand.

Science.gov (United States)

Koompapong, Khuanchai; Sukthana, Yaowalark

2012-07-01

Using molecular techniques, a longitudinal study was conducted with the aims at identifying the seasonal difference of Cryptosporidium contamination in surface water as well as analyzing the potential sources based on species information. One hundred forty-four water samples were collected, 72 samples from the Chao Phraya River, Thailand, collected in the summer, rainy and cool seasons and 72 samples from sea water at Bang Pu Nature Reserve pier, collected before, during and after the presence of migratory seagulls. Total prevalence of Cryptosporidium contamination in river and sea water locations was 11% and 6%, respectively. The highest prevalence was observed at the end of rainy season continuing into the cool season in river water (29%) and in sea water (12%). During the rainy season, prevalence of Cryptosporidium was 4% in river and sea water samples, but none in summer season. All positive samples from the river was C. parvum, while C. meleagridis (1), and C. serpentis (1) were obtained from sea water. To the best of our knowledge, this is the first genetic study in Thailand of Cryptosporidium spp contamination in river and sea water locations and the first report of C. serpentis, suggesting that humans, household pets, farm animals, wildlife and migratory birds may be the potential sources of the parasites. The findings are of use for implementing preventive measures to reduce the transmission of cryptosporidiosis to both humans and animals.

Surface potential at a ferroelectric grain due to asymmetric screening of depolarization fields

Energy Technology Data Exchange (ETDEWEB)

Genenko, Yuri A., E-mail: genenko@mm.tu-darmstadt.de; Hirsch, Ofer [Technische Universität Darmstadt, Darmstadt (Germany); Erhart, Paul [Chalmers University of Technology, Gothenburg (Sweden)

2014-03-14

Nonlinear screening of electric depolarization fields, generated by a stripe domain structure in a ferroelectric grain of a polycrystalline material, is studied within a semiconductor model of ferroelectrics. It is shown that the maximum strength of local depolarization fields is rather determined by the electronic band gap than by the spontaneous polarization magnitude. Furthermore, field screening due to electronic band bending and due to presence of intrinsic defects leads to asymmetric space charge regions near the grain boundary, which produce an effective dipole layer at the surface of the grain. This results in the formation of a potential difference between the grain surface and its interior of the order of 1 V, which can be of either sign depending on defect transition levels and concentrations. Exemplary acceptor doping of BaTiO{sub 3} is shown to allow tuning of the said surface potential in the region between 0.1 and 1.3 V.

Directed transport by surface chemical potential gradients for enhancing analyte collection in nanoscale sensors.

Science.gov (United States)

Sitt, Amit; Hess, Henry

2015-05-13

Nanoscale detectors hold great promise for single molecule detection and the analysis of small volumes of dilute samples. However, the probability of an analyte reaching the nanosensor in a dilute solution is extremely low due to the sensor's small size. Here, we examine the use of a chemical potential gradient along a surface to accelerate analyte capture by nanoscale sensors. Utilizing a simple model for transport induced by surface binding energy gradients, we study the effect of the gradient on the efficiency of collecting nanoparticles and single and double stranded DNA. The results indicate that chemical potential gradients along a surface can lead to an acceleration of analyte capture by several orders of magnitude compared to direct collection from the solution. The improvement in collection is limited to a relatively narrow window of gradient slopes, and its extent strongly depends on the size of the gradient patch. Our model allows the optimization of gradient layouts and sheds light on the fundamental characteristics of chemical potential gradient induced transport.

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

OpenAIRE

Oliveira,Maíra Maciel Mattos de; 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 de...

Inclusion of Solar Elevation Angle in Land Surface Albedo Parameterization Over Bare Soil Surface.

Science.gov (United States)

Zheng, Zhiyuan; Wei, Zhigang; Wen, Zhiping; Dong, Wenjie; Li, Zhenchao; Wen, Xiaohang; Zhu, Xian; Ji, Dong; Chen, Chen; Yan, Dongdong

2017-12-01

Land surface albedo is a significant parameter for maintaining a balance in surface energy. It is also an important parameter of bare soil surface albedo for developing land surface process models that accurately reflect diurnal variation characteristics and the mechanism behind the solar spectral radiation albedo on bare soil surfaces and for understanding the relationships between climate factors and spectral radiation albedo. Using a data set of field observations, we conducted experiments to analyze the variation characteristics of land surface solar spectral radiation and the corresponding albedo over a typical Gobi bare soil underlying surface and to investigate the relationships between the land surface solar spectral radiation albedo, solar elevation angle, and soil moisture. Based on both solar elevation angle and soil moisture measurements simultaneously, we propose a new two-factor parameterization scheme for spectral radiation albedo over bare soil underlying surfaces. The results of numerical simulation experiments show that the new parameterization scheme can more accurately depict the diurnal variation characteristics of bare soil surface albedo than the previous schemes. Solar elevation angle is one of the most important factors for parameterizing bare soil surface albedo and must be considered in the parameterization scheme, especially in arid and semiarid areas with low soil moisture content. This study reveals the characteristics and mechanism of the diurnal variation of bare soil surface solar spectral radiation albedo and is helpful in developing land surface process models, weather models, and climate models.

Visualizing classical and quantum probability densities for momentum using variations on familiar one-dimensional potentials

International Nuclear Information System (INIS)

Robinett, R.W.

2002-01-01

After briefly reviewing the definitions of classical probability densities for position, P C L(x), and for momentum, P C L(p), we present several examples of classical mechanical potential systems, mostly variations on such familiar cases as the infinite well and the uniformly accelerated particle for which the classical distributions can be easily derived and visualized. We focus especially on a simple potential which interpolates between the symmetric linear potential, V(x)=F vertical bar x vertical bar, and the infinite well, which can illustrate, in a mathematically straightforward way, how the divergent δ-function classical probability density for momentum for the infinite well can be seen to arise. Such examples can help students understand the quantum mechanical momentum-space wavefunction (and its corresponding probability density) in much the same way that other semiclassical techniques, such as the WKB approximation, can be used to visualize position-space wavefunctions. (author)

Reaction Mechanisms on Multiwell Potential Energy Surfaces in Combustion (and Atmospheric) Chemistry

International Nuclear Information System (INIS)

Osborn, David L.

2017-01-01

Chemical reactions occurring on a potential energy surface with multiple wells are ubiquitous in low temperature combustion and the oxidation of volatile organic compounds in earth’s atmosphere. The rich variety of structural isomerizations that compete with collisional stabilization make characterizing such complex-forming reactions challenging. This review describes recent experimental and theoretical advances that deliver increasingly complete views of their reaction mechanisms. New methods for creating reactive intermediates coupled with multiplexed measurements provide many experimental observables simultaneously. Automated methods to explore potential energy surfaces can uncover hidden reactive pathways, while master equation methods enable a holistic treatment of both sequential and well-skipping pathways. Our ability to probe and understand nonequilibrium effects and reaction sequences is increasing. These advances provide the fundamental science base for predictive models of combustion and the atmosphere that are crucial to address global challenges.

Reaction Mechanisms on Multiwell Potential Energy Surfaces in Combustion (and Atmospheric) Chemistry

Science.gov (United States)

Osborn, David L.

2017-05-01

Chemical reactions occurring on a potential energy surface with multiple wells are ubiquitous in low-temperature combustion and in the oxidation of volatile organic compounds in Earth's atmosphere. The rich variety of structural isomerizations that compete with collisional stabilization makes characterizing such complex-forming reactions challenging. This review describes recent experimental and theoretical advances that deliver increasingly complete views of their reaction mechanisms. New methods for creating reactive intermediates coupled with multiplexed measurements provide many experimental observables simultaneously. Automated methods to explore potential energy surfaces can uncover hidden reactive pathways, and master equation methods enable a holistic treatment of both sequential and well-skipping pathways. Our ability to probe and understand nonequilibrium effects and reaction sequences is increasing. These advances provide the fundamental science base for predictive models of combustion and the atmosphere that are crucial to address global challenges.

Surface potential on gold nanodisc arrays fabricated on silicon under light irradiation

Science.gov (United States)

Ezaki, Tomotarou; Matsutani, Akihiro; Nishioka, Kunio; Shoji, Dai; Sato, Mina; Okamoto, Takayuki; Isobe, Toshihiro; Nakajima, Akira; Matsushita, Sachiko

2018-06-01

This paper proposes Kelvin probe force microscopy (KFM) as a new measurement method of plasmon phenomenon. The surface potential of two arrays, namely, a monomeric array and a tetrameric array, of gold nanodiscs (600 nm diameter) on a silicon substrate fabricated by electron beam lithography was investigated by KFM with the view point of irradiation light wavelength change. In terms of the value of the surface potential, contrasting behaviour, a negative shift in the monomeric disc array and a positive shift in the tetrameric disc array, was observed by light irradiation. This interesting behaviour is thought to be related to a difference in localised plasmons caused by the disc arrangement and was investigated from various viewpoints, including Rayleigh anomalies. Finally, this paper reveals that KFM is powerful not only to investigate the plasmonic behaviour but also to predict the electron transportation.

Interannual variations and trends in global land surface phenology derived from enhanced vegetation index during 1982-2010

Science.gov (United States)

Zhang, Xiaoyang; Tan, Bin; Yu, Yunyue

2014-05-01

Land surface phenology is widely retrieved from satellite observations at regional and global scales, and its long-term record has been demonstrated to be a valuable tool for reconstructing past climate variations, monitoring the dynamics of terrestrial ecosystems in response to climate impacts, and predicting biological responses to future climate scenarios. This study detected global land surface phenology from the advanced very high resolution radiometer (AVHRR) and the Moderate Resolution Imaging Spectroradiometer (MODIS) data from 1982 to 2010. Based on daily enhanced vegetation index at a spatial resolution of 0.05 degrees, we simulated the seasonal vegetative trajectory for each individual pixel using piecewise logistic models, which was then used to detect the onset of greenness increase (OGI) and the length of vegetation growing season (GSL). Further, both overall interannual variations and pixel-based trends were examined across Koeppen's climate regions for the periods of 1982-1999 and 2000-2010, respectively. The results show that OGI and GSL varied considerably during 1982-2010 across the globe. Generally, the interannual variation could be more than a month in precipitation-controlled tropical and dry climates while it was mainly less than 15 days in temperature-controlled temperate, cold, and polar climates. OGI, overall, shifted early, and GSL was prolonged from 1982 to 2010 in most climate regions in North America and Asia while the consistently significant trends only occurred in cold climate and polar climate in North America. The overall trends in Europe were generally insignificant. Over South America, late OGI was consistent (particularly from 1982 to 1999) while either positive or negative GSL trends in a climate region were mostly reversed between the periods of 1982-1999 and 2000-2010. In the Northern Hemisphere of Africa, OGI trends were mostly insignificant, but prolonged GSL was evident over individual climate regions during the last 3

Temporal variations of surface water quality in urban, suburban and rural areas during rapid urbanization in Shanghai, China

International Nuclear Information System (INIS)

Wang Junying; Da Liangjun; Song Kun; Li Bailian

2008-01-01

As the economic and financial center of China, Shanghai has experienced an extensive urban expansion since the early 1980s, with an attendant cost in environmental degradation. We use an integrated pollution index to study the temporal variations of surface water quality in urban, suburban and rural areas between 1982 and 2005. Data on monitored cross-sections were collected from the Shanghai Environmental Monitoring Center. The results indicated that the spatial pattern of surface water quality was determined by the level of urbanization. Surface water qualities in urban and suburban areas were improved by strengthening the environmental policies and management, but were worsening in rural areas. The relationship between economic growth and surface water quality in Shanghai showed an inversed-U-shaped curve, which reflected a similar pattern in most developed countries. This research suggests that decision makers and city officials should be more aware of the recent pollution increases in Shanghai. - An integrated pollution index documents the deterioration of water quality in greater Shanghai, recently most serious in rural sections

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

DEFF Research Database (Denmark)

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

2014-01-01

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

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

Directory of Open Access Journals (Sweden)

Polavarapu Nalini

2011-10-01

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

The effects of sorting by aeolian processes on the geochemical characteristics of surface materials: a wind tunnel experiment

Science.gov (United States)

Wang, Xunming; Lang, Lili; Hua, Ting; Zhang, Caixia; Li, Hui

2018-03-01

The geochemical characteristics of aeolian and surface materials in potential source areas of dust are frequently employed in environmental reconstructions as proxies of past climate and as source tracers of aeolian sediments deposited in downwind areas. However, variations in the geochemical characteristics of these aeolian deposits that result from near-surface winds are currently poorly understood. In this study, we collected surface samples from the Ala Shan Plateau (a major potential dust source area in Central Asia) to determine the influence of aeolian processes on the geochemical characteristics of aeolian transported materials. Correlation analyses show that compared with surface materials, the elements in transported materials (e.g., Cu, As, Pb, Mn, Zn, Al, Ca, Fe, Ga, K, Mg, P, Rb, Co, Cr, Na, Nb, Si, and Zr) were subjected to significant sorting by aeolian processes, and the sorting also varied among different particle size fractions and elements. Variations in wind velocity were significantly correlated with the contents of Cr, Ga, Sr, Ca, Y, Nd, Zr, Nb, Ba, and Al, and with the Zr/Al, Zr/Rb, K/Ca, Sr/Ca, Rb/Sr, and Ca/Al ratios. Given the great variation in the geochemical characteristics of materials transported under different aeolian processes relative to those of the source materials, these results indicate that considerable uncertainty may be introduced to analyses by using surface materials to trace the potential source areas of aeolian deposits that accumulate in downwind areas.

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

Directory of Open Access Journals (Sweden)

Ahmad Myisha

2018-01-01

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

Systematic and efficient navigating potential energy surface: Data for silver doped gold clusters.

Science.gov (United States)

Chaban, Vitaly V

2016-06-01

Locating global minimum of certain atomistic ensemble is known to be a highly challenging and resource consuming task. This dataset represents joint usage of the semi-empirical PM7 Hamiltonian, Broyden-Fletcher-Goldfarb-Shanno algorithm and basin hopping scheme to navigate a potential energy surface. The Au20 nanocluster was used for calibration as its global minimum structure is well-known. Furthermore, Au18Ag2 and Au15Ag5 were simulated for illustration of the algorithm performance. The work shows encouraging results and, particularly, underlines proper accuracy of PM7 as applied to this type of heavy metal systems. The reported dataset motivates to use the benchmarked method for studying potential energy surfaces of manifold systems and locate their global-minimum atomistic configurations.

Observing the variation of asteroid thermal inertia with heliocentric distance

Science.gov (United States)

Rozitis, B.; Green, S. F.; MacLennan, E.; Emery, J. P.

2018-06-01

Thermal inertia is a useful property to characterize a planetary surface, since it can be used as a qualitative measure of the regolith grain size. It is expected to vary with heliocentric distance because of its dependence on temperature. However, no previous investigation has conclusively observed a change in thermal inertia for any given planetary body. We have addressed this by using NEOWISE data and the Advanced Thermophysical Model to study the thermophysical properties of the near-Earth asteroids (1036) Ganymed, (1580) Betulia, and (276 049) 2002 CE26 as they moved around their highly eccentric orbits. We confirm that the thermal inertia values of Ganymed and 2002 CE26 do vary with heliocentric distance, although the degree of variation observed depends on the spectral emissivity assumed in the thermophysical modelling. We also confirm that the thermal inertia of Betulia did not change for three different observations obtained at the same heliocentric distance. Depending on the spectral emissivity, the variations for Ganymed and 2002 CE26 are potentially more extreme than that implied by theoretical models of heat transfer within asteroidal regoliths, which might be explained by asteroids having thermal properties that also vary with depth. Accounting for this variation reduces a previously observed trend of decreasing asteroid thermal inertia with increasing size, and suggests that the surfaces of small and large asteroids could be much more similar than previously thought. Furthermore, this variation can affect Yarkovsky orbital drift predictions by a few tens of per cent.

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

Directory of Open Access Journals (Sweden)

Kevkić Tijana

2016-01-01

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

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

Directory of Open Access Journals (Sweden)

Christophe Fatras

2018-04-01

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

Mechanism transition of cell-impedance-controlled lithium transport through Li1-δMn2O4 composite electrode caused by surface-modification and temperature variation

International Nuclear Information System (INIS)

Jung, Kyu-Nam; Pyun, Su-Il

2007-01-01

The mechanism transition of lithium transport through a Li 1-δ Mn 2 O 4 composite electrode caused by the surface-modification and temperature variation was investigated using the galvanostatic intermittent titration technique (GITT), electrochemical impedance spectroscopy (EIS) and the potentiostatic current transient technique. From the analyses of the ac-impedance spectra, experimentally measured from unmodified Li 1-δ Mn 2 O 4 and surface-modified Li 1-δ Mn 2 O 4 with MgO composite electrodes, the internal cell resistance of the MgO-modified Li 1-δ Mn 2 O 4 electrode was determined to be much smaller in value than that of the unmodified electrode over the whole potential range. Moreover, from the analysis of the anodic current transients measured on the MgO-modified Li 1-δ Mn 2 O 4 electrode, it was found that the cell-impedance-controlled constraint at the electrode surface is changed to a diffusion-controlled constraint, which is characterised by a large potential step and simultaneously by a small amount of lithium transferred during lithium transport. This strongly suggests that the internal cell resistance plays a significant role in determining the cell-impedance-controlled lithium transport through the MgO-modified Li 1-δ Mn 2 O 4 electrode. Furthermore, from the temperature dependence of the internal cell resistance and diffusion resistance in the unmodified Li 1-δ Mn 2 O 4 composite electrode measured by GITT and EIS, it was concluded that which mechanism of lithium transport will be operative strongly depends on the diffusion resistance as well as on the internal cell resistance

Toward accurate prediction of potential energy surfaces and the spectral density of hydrogen bonded systems

International Nuclear Information System (INIS)

Rekik, Najeh

2014-01-01

Despite the considerable progress made in quantum theory and computational methods, detailed descriptions of the potential energy surfaces of hydrogen-bonded systems have not yet been achieved. In addition, the hydrogen bond (H-bond) itself is still so poorly understood at the fundamental level that it remains unclear exactly what geometry constitutes a “real” H-bond. Therefore, in order to investigate features essential for hydrogen bonded complexes, a simple, efficient, and general method for calculating matrix elements of vibrational operators capable of describing the stretching modes and the H-bond bridges of hydrogen-bonded systems is proposed. The derived matrix elements are simple and computationally easy to evaluate, which makes the method suitable for vibrational studies of multiple-well potentials. The method is illustrated by obtaining potential energy surfaces for a number of two-dimensional systems with repulsive potentials chosen to be in Gaussian form for the stretching mode and of the Morse-type for the H-bond bridge dynamics. The forms of potential energy surfaces of weak and strong hydrogen bonds are analyzed by varying the asymmetry of the Gaussian potential. Moreover, the choice and applicability of the selected potential for the stretching mode and comparison with other potentials used in the area of hydrogen bond research are discussed. The approach for the determination of spectral density has been constructed in the framework of the linear response theory for which spectral density is obtained by Fourier transform of the autocorrelation function of the dipole moment operator of the fast mode. The approach involves anharmonic coupling between the high frequency stretching vibration (double well potential) and low-frequency donor-acceptor stretching mode (Morse potential) as well as the electrical anharmonicity of the dipole moment operator of the fast mode. A direct relaxation mechanism is incorporated through a time decaying exponential

(90377) SEDNA: INVESTIGATION OF SURFACE COMPOSITIONAL VARIATION

International Nuclear Information System (INIS)

Barucci, M. A.; De Bergh, C.; Merlin, F.; Morea Dalle Ore, C.; Cruikshank, D.; Alvarez-Candal, A.; Dumas, C.

2010-01-01

The dwarf planet (90377) Sedna is one of the most remote solar system objects accessible to investigations. To better constrain its surface composition and to investigate the possible heterogeneity of the surface of Sedna, several observations have been carried out at ESO-VLT with the powerful spectrometer SINFONI observing simultaneously the H and K bands. The analyzed spectra (obtained in 2005, 2007, and 2008) show a non-uniform spectral signature, particularly in the K band. Spectral modeling using the Shkuratov radiative transfer code for surface scattering has been performed using the various sets of data, including previous observations at visible wavelengths and photometry at 3.6 and 4.5 μm by the Spitzer Space Telescope. The visible and near-infrared spectra can be modeled with organic materials (triton and titan tholin), serpentine, and H 2 O ice in fairly significant amounts, and CH 4 , N 2 , and C 2 H 6 in varying trace amounts. One of the spectra obtained in 2005 October shows a different signature in the K band and is best modeled with CH 3 OH in place of CH 4 , with reduced amounts of serpentine and with the addition of olivine. The compositional surface heterogeneity can give input on the past history as well clues to the origin of this peculiar, distant object.

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

DEFF Research Database (Denmark)

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

2005-01-01

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

Characterizing bacterial communities in tilapia pond surface sediment and their responses to pond differences and temporal variations.

Science.gov (United States)

Fan, Limin; Barry, Kamira; Hu, Gengdong; Meng, Shunlong; Song, Chao; Qiu, Liping; Zheng, Yao; Wu, Wei; Qu, Jianhong; Chen, Jiazhang; Xu, Pao

2017-01-01

Bacterial community compositions in the surface sediment of tilapia ponds and their responses to pond characteristics or seasonal variations were investigated. For that, three ponds with different stocking densities were selected to collect the samples. And the method of Illumina high-throughput sequencing was used to amplify the bacterial 16S rRNA genes. A total of 662, 876 valid reads and 5649 operational taxonomic units were obtained. Further analysis showed that the dominant phyla in all three ponds were Proteobacteria, Bacteroidetes, Chloroflexi, and Acidobacteria. The phyla Planctomycetes, Firmicutes, Chlorobi, and Spirochaetae were also relatively abundant. Among the eight phyla, the abundances of only Proteobacteria, Bacteroidetes, Firmicutes, and Spirochaetae were affected by seasonal variations, while seven of these (with the exception of Acidobacteria) were affected by pond differences. A comprehensive analysis of the richness and diversity of the bacterial 16S rRNA gene, and of the similarity in bacterial community composition in sediment also showed that the communities in tilapia pond sediment were shaped more by pond differences than by seasonal variations. Linear discriminant analysis further indicated that the influences of pond characteristics on sediment bacterial communities might be related to feed coefficients and stocking densities of genetically improved farmed tilapia (GIFT).

Influence of Surface Charge/Potential of a Gold Electrode on the Adsorptive/Desorptive Behaviour of Fibrinogen

International Nuclear Information System (INIS)

Dargahi, Mahdi; Konkov, Evgeny; Omanovic, Sasha

2015-01-01

Highlights: • Adsorptive/desorptive behavior of fibrinogen (FG) on an electrochemically-polarized gold substrate is reported. • The adsorption affinity of FG (afFG) is constant on a negatively-charged substrate surface. • The afFG increases linearly with an increase in positive substrate surface charge. • The FG adsorption kinetics is strongly dependant on substrate surface charge. • The adsorbed FG layer can be desorbed by electrochemical evolution of hydrogen and oxygen. - Abstract: The effect of gold substrate surface charge (potential) on adsorptive/desorptive behaviour of fibrinogen (FG) was studied by employing differential capacitance (DC) and polarization modulated infrared reflection absorption spectroscopy (PM-IRRAS), in terms of FG adsorption thermodynamics, kinetics, and desorption kinetics. The gold substrate surface charge was modulated in-situ within the electrochemical double-layer region by means of electrochemical potentiostatic polarization in a FG-containing electrolyte, thus avoiding the interference of other physico-chemical properties of the gold surface on FG’s interfacial behaviour. The FG adsorption equilibrium was modeled using the Langmuir isotherm. Highly negative values of apparent Gibbs free energy of adsorption (ranging from from −52.1 ± 0.4 to −55.8 ± 0.8 kJ mol −1 , depending on the FG adsorption potential) indicated a highly spontaneous and strong adsorption of FG onto the gold surface. The apparent Gibbs free energy of adsorption was found to be independent of surface charge when the surface was negatively charged. However, when the gold surface was positively charged, the apparent Gibbs free energy of adsorption exhibited a pronounced linear relationship with the surface charge, shifting to more negative values with an increase in positive electrode potential. The adsorption kinetics of FG was also found to be dependent on gold surface charge in a similar manner to the apparent Gibbs free energy of adsorption

Lunar nitrogen: Secular variation or mixing?

International Nuclear Information System (INIS)

Norris, S.J.; Wright, I.P.; Pillinger, C.T.

1986-01-01

The two current models to explain the nearly 40% variation of the lunar nitrogen isotopic composition are: (1) secular variation of solar wind nitrogen; and (2) a two component mixing model having a constant, heavy solar wind admixed with varying amounts of indigenous light lunar N (LLN). Both models are needed to explain the step pyrolysis extraction profile. The secular variation model proposes that the low temperature release is modern day solar wind implanted into grain surfaces, the 900 C to 1100 C release is from grain surfaces which were once exposed to the ancient solar wind but which are now trapped inside agglutinates, and the >1100 C release as spallogenic N produced by cosmic rays. The mixing model ascribes the components to solar wind, indigenous lunar N and spallogenic N respectively. An extension of either interpretation is that the light N seen in lunar breccias or deep drill cores represent conditions when more N-14 was available to the lunar surface

Modelling reveals endogenous osmotic adaptation of storage tissue water potential as an important driver determining different stem diameter variation patterns in the mangrove species Avicennia marina and Rhizophora stylosa.

Science.gov (United States)

Vandegehuchte, Maurits W; Guyot, Adrien; Hubeau, Michiel; De Swaef, Tom; Lockington, David A; Steppe, Kathy

2014-09-01

Stem diameter variations are mainly determined by the radial water transport between xylem and storage tissues. This radial transport results from the water potential difference between these tissues, which is influenced by both hydraulic and carbon related processes. Measurements have shown that when subjected to the same environmental conditions, the co-occurring mangrove species Avicennia marina and Rhizophora stylosa unexpectedly show a totally different pattern in daily stem diameter variation. Using in situ measurements of stem diameter variation, stem water potential and sap flow, a mechanistic flow and storage model based on the cohesion-tension theory was applied to assess the differences in osmotic storage water potential between Avicennia marina and Rhizophora stylosa. Both species, subjected to the same environmental conditions, showed a resembling daily pattern in simulated osmotic storage water potential. However, the osmotic storage water potential of R. stylosa started to decrease slightly after that of A. marina in the morning and increased again slightly later in the evening. This small shift in osmotic storage water potential likely underlaid the marked differences in daily stem diameter variation pattern between the two species. The results show that in addition to environmental dynamics, endogenous changes in the osmotic storage water potential must be taken into account in order to accurately predict stem diameter variations, and hence growth.

Potential energy surfaces for ion-molecule reactions. Intersection of the 3A2 and 2B1 surfaces of NH+2

International Nuclear Information System (INIS)

Bender, C.F.; Meadows, J.H.; Schaefer, H.F. III.

1976-04-01

A theoretical study of two of the low-lying NH 2 + potential energy surfaces was performed. The intersection and avoided intersection (for C/sub s/ geometries) of the lowest 3 A 2 and 3 B 1 surfaces allows a pathway by which the ground state of HH 2 + may be accessed without a potential barrier. The electronic structure calculations employed a double zeta plus polarization basis set, and correlation effects were taken into account using the newly developed Vector Method (VM). To test the validity of this basis, additional self-consistent-field studies were performed using a very large contracted gaussian basis N(13s 8p 3d/9s 6p 3d), H(6s 2p/4s 2p). The 3 A 2 surface, on which N + and H 2 may approach, has a surprising deep potential minimum, approximately 60 kcal/mole, occurring at r/sub e/(NH) approximately 1.26 A and theta/sub e/(HNH) approximately 43 0 . Electron correlation is responsible for about 15 kcal of this well depth, which appears fairly insensitive to extension of the basis set beyond the double zeta plus polarization level. The line of intersection (or seam) of the 3 A 2 and 3 B 1 surfaces is presented both numerically and pictorially. The minimum energy along this seam occurs at approximately 51 kcal below separated N + + H 2 . Thus for sufficiently low energies one expects N + - H 2 collisions to provide considerable ''complex formation.'' 3 figs, 1 table, 28 refs

Systematic and efficient navigating potential energy surface: Data for silver doped gold clusters

Directory of Open Access Journals (Sweden)

Vitaly V. Chaban

2016-06-01

Full Text Available Locating global minimum of certain atomistic ensemble is known to be a highly challenging and resource consuming task. This dataset represents joint usage of the semi-empirical PM7 Hamiltonian, Broyden–Fletcher–Goldfarb–Shanno algorithm and basin hopping scheme to navigate a potential energy surface. The Au20 nanocluster was used for calibration as its global minimum structure is well-known. Furthermore, Au18Ag2 and Au15Ag5 were simulated for illustration of the algorithm performance. The work shows encouraging results and, particularly, underlines proper accuracy of PM7 as applied to this type of heavy metal systems. The reported dataset motivates to use the benchmarked method for studying potential energy surfaces of manifold systems and locate their global-minimum atomistic configurations.

An evaluation of the utility and limitations of counting motor unit action potentials in the surface electromyogram

Science.gov (United States)

Zhou, Ping; Zev Rymer, William

2004-12-01

The number of motor unit action potentials (MUAPs) appearing in the surface electromyogram (EMG) signal is directly related to motor unit recruitment and firing rates and therefore offers potentially valuable information about the level of activation of the motoneuron pool. In this paper, based on morphological features of the surface MUAPs, we try to estimate the number of MUAPs present in the surface EMG by counting the negative peaks in the signal. Several signal processing procedures are applied to the surface EMG to facilitate this peak counting process. The MUAP number estimation performance by this approach is first illustrated using the surface EMG simulations. Then, by evaluating the peak counting results from the EMG records detected by a very selective surface electrode, at different contraction levels of the first dorsal interosseous (FDI) muscles, the utility and limitations of such direct peak counts for MUAP number estimation in surface EMG are further explored.

Exploring a potential energy surface by machine learning for characterizing atomic transport

Science.gov (United States)

Kanamori, Kenta; Toyoura, Kazuaki; Honda, Junya; Hattori, Kazuki; Seko, Atsuto; Karasuyama, Masayuki; Shitara, Kazuki; Shiga, Motoki; Kuwabara, Akihide; Takeuchi, Ichiro

2018-03-01

We propose a machine-learning method for evaluating the potential barrier governing atomic transport based on the preferential selection of dominant points for atomic transport. The proposed method generates numerous random samples of the entire potential energy surface (PES) from a probabilistic Gaussian process model of the PES, which enables defining the likelihood of the dominant points. The robustness and efficiency of the method are demonstrated on a dozen model cases for proton diffusion in oxides, in comparison with a conventional nudge elastic band method.

Which potentials have to be surface peaked to reproduce large angle proton scattering at high energy?

International Nuclear Information System (INIS)

Raynal, J.

1990-01-01

Corrections to the usual form factors of the optical potential are studied with a view to getting a better fit for proton elastic scattering at large angles on 40 Ca at 497 and 800 MeV. When a real surface form factor is added to the central potential in the Schrodinger formalism, the experimental data are as well reproduced as in the standard Dirac formalism. Coupling to the strong 3 - collective state gives a better fit. The use of surface corrections to the imaginary Dirac potential also gives improved results. A slightly better fit is obtained by coupling to the 3 - state with, at the same time, a weakening of these corrections. Further corrections to the potential do not give significant improvements

Brainstem auditory evoked potentials in healthy cats recorded with surface electrodes

Directory of Open Access Journals (Sweden)

Mihai Musteata

2013-01-01

Full Text Available The aim of this study was to evaluate the brainstem auditory evoked potentials of seven healthy cats, using surface electrodes. Latencies of waves I, III and V, and intervals I–III, I–V and III–V were recorded. Monaural and binaural stimulation of the cats were done with sounds ranging between 40 and 90 decibel Sound Pressure Level. All latencies were lower than those described in previous studies, where needle electrodes were used. In the case of binaural stimulation, latencies of waves III and V were greater compared to those obtained for monaural stimulation (P P > 0.05. Regardless of the sound intensity, the interwave latency was constant (P > 0.05. Interestingly, no differences were noticed for latencies of waves III and V when sound intensity was higher than 80dB SPL. This study completes the knowledge in the field of electrophysiology and shows that the brainstem auditory evoked potentials in cats using surface electrodes is a viable method to record the transmission of auditory information. That can be faithfully used in clinical practice, when small changes of latency values may be an objective factor in health status evaluation.

Geometric Measure Theory and Minimal Surfaces

CERN Document Server

Bombieri, Enrico

2011-01-01

W.K. ALLARD: On the first variation of area and generalized mean curvature.- F.J. ALMGREN Jr.: Geometric measure theory and elliptic variational problems.- E. GIUSTI: Minimal surfaces with obstacles.- J. GUCKENHEIMER: Singularities in soap-bubble-like and soap-film-like surfaces.- D. KINDERLEHRER: The analyticity of the coincidence set in variational inequalities.- M. MIRANDA: Boundaries of Caciopoli sets in the calculus of variations.- L. PICCININI: De Giorgi's measure and thin obstacles.

Effects of external surface charges on the enhanced piezoelectric potential of ZnO and AlN nanowires and nanotubes

Directory of Open Access Journals (Sweden)

Seong Min Kim

2012-12-01

Full Text Available We theoretically investigate external surface charge effects on piezoelectric potential of ZnO and AlN nanowires (NWs and nanotubes (NTs under uniform compression. The free carrier depletion caused by negative surface charges via surface functionalization on vertically compressed ZnO and AlN NWs/NTs is simulated using finite element calculation; this indicates the enhancement of piezoelectric potential is due to the free carriers (electrons being fully depleted at the critical surface charge density. Numerical simulations reveal that full coverage of surface charges surrounding the NTs increases the piezoelectric output potential exponentially within a relatively smaller range of charge density compared to the case of NWs for a typical donor concentration (∼1017 cm−3. The model can be used to design functional high-power semiconducting piezoelectric nanogenerators.

Relating Nimbus-7 37 GHz data to global land-surface evaporation, primary productivity and the atmospheric CO2 concentration

Science.gov (United States)

Choudhury, B. J.

1988-01-01

Global observations at 37 GHz by the Nimbus-7 SMMR are related to zonal variations of land surface evaporation and primary productivity, as well as to temporal variations of atmospheric CO2 concentration. The temporal variation of CO2 concentration and the zonal variations of evaporation and primary productivity are shown to be highly correlated with the satellite sensor data. The potential usefulness of the 37-GHz data for global biospheric and climate studies is noted.

Computed potential energy surfaces for chemical reactions

Science.gov (United States)

Walch, Stephen P.

1988-01-01

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

Role of Surface Wind and Vegetation Cover in Multi-decadal Variations of Dust Emission in the Sahara and Sahel

Science.gov (United States)

Kim, Dong; Chin, Mian; Remer, Lorraine A.; Diehl, Thomas L.; Bian, Huisheng; Yu, Hongbin; Brown, Molly E.; Stockwell, William R.

2016-01-01

North Africa, the world's largest dust source, is non-uniform, consisting of a permanently arid region (Sahara), a semi-arid region (Sahel), and a relatively moist vegetated region (Savanna), each with very different rainfall patterns and surface conditions. This study aims to better understand the controlling factors that determine the variation of dust emission in North Africa over a 27-year period from 1982 to 2008, using observational data and model simulations. The results show that the model-derived Saharan dust emission is only correlated with the 10-m winds (W10m) obtained from reanalysis data, but the model-derived Sahel dust emission is correlated with both W10m and the Normalized Difference Vegetation Index (NDVI) that is obtained from satellite. While the Saharan dust accounts for 82 of the continental North Africa dust emission (1340-1570 Tg year(exp -1) in the 27-year average, the Sahel accounts for 17 with a larger seasonal and inter-annual variation (230-380 Tg year(exp -1), contributing about a quarter of the transatlantic dust transported to the northern part of South America. The decreasing dust emission trend over the 27-year period is highly correlated with W10m over the Sahara (R equals 0.92). Over the Sahel, the dust emission is correlated with W10m (R 0.69) but is also anti-correlated with the trend of NDVI (R equals 0.65). W10m is decreasing over both the Sahara and the Sahel between 1982 and 2008, and the trends are correlated (R equals 0.53), suggesting that Saharan Sahelian surface winds are a coupled system, driving the inter-annual variation of dust emission.

LUNAR SURFACE AND DUST GRAIN POTENTIALS DURING THE EARTH’S MAGNETOSPHERE CROSSING

Energy Technology Data Exchange (ETDEWEB)

Vaverka, J.; Richterová, I.; Pavlu, J.; Šafránková, J.; Němeček, Z., E-mail: jana.safrankova@mff.cuni.cz [Department of Surface and Plasma Science, Faculty of Mathematics and Physics, Charles University in Prague, V Holešovičkách 2, 180 00 Prague (Czech Republic)

2016-07-10

Interaction between the lunar surface and the solar UV radiation and surrounding plasma environment leads to its charging by different processes like photoemission, collection of charged particles, or secondary electron emission (SEE). Whereas the photoemission depends only on the angle between the surface and direction to the Sun and varies only slowly, plasma parameters can change rapidly as the Moon orbits around the Earth. This paper presents numerical simulations of one Moon pass through the magnetospheric tail including the real plasma parameters measured by THEMIS as an input. The calculations are concentrated on different charges of the lunar surface itself and a dust grain lifted above this surface. Our estimations show that (1) the SEE leads to a positive charging of parts of the lunar surface even in the magnetosphere, where a high negative potential is expected; (2) the SEE is generally more important for isolated dust grains than for the lunar surface covered by these grains; and (3) the time constant of charging of dust grains depends on their diameter being of the order of hours for sub-micrometer grains. In view of these results, we discuss the conditions under which and the areas where a levitation of the lifted dust grains could be observed.

Potential energy surfaces for alkali plus noble gas pairs: a systematic comparison

Science.gov (United States)

Blank, L. Aaron; Kedziora, Gary S.; Weeks, David E.

2010-02-01

Optically Pumped Alkali Lasers (OPAL) involve interactions of alkali atoms with a buffer gas typically consisting of a noble gas together with C2H4. Line broadening mechanisms are of particular interest because they can be used to match a broad optical pumping source with relatively narrow alkali absorption spectra. To better understand the line broadening processes at work in OPAL systems we focus on the noble gas collisional partners. A matrix of potential energy surfaces (PES) has been generated at the multi-configurational self consistent field (MCSCF) level for M + Ng, where M=Li, Na, K, Rb, Cs and Ng=He, Ne, Ar. The PES include the X2Σ ground state surface and the A2II, B2Σ excited state surfaces. In addition to the MCSCF surfaces, PES for Li+He have been calculated at the multi-reference singles and doubles configuration interaction (MRSDCI) level with spin-orbit splitting effects included. These surfaces provide a way to check the qualitative applicability of the MCSCF calculations. They also exhibit the avoided crossing between the B2Σ and A2II1/2 surfaces that is partially responsible for collision induced relaxation from the 2P3/2 to the 2P1/2 atomic levels.

Spatial and Decadal Variations in Potential Evapotranspiration of China Based on Reanalysis Datasets during 1982–2010

Directory of Open Access Journals (Sweden)

Yunjun Yao

2014-10-01

Full Text Available Potential evapotranspiration (PET is an important indicator of atmospheric evaporation demand and has been widely used to characterize hydrological change. However, sparse observations of pan evaporation (EP prohibit the accurate characterization of the spatial and temporal patterns of PET over large spatial scales. In this study, we have estimated PET of China using the Penman-Monteith (PM method driven by gridded reanalysis datasets to analyze the spatial and decadal variations of PET in China during 1982–2010. The results show that the estimated PET has decreased on average by 3.3 mm per year (p < 0.05 over China during 1982–1993, while PET began to increase since 1994 by 3.4 mm per year (p < 0.05. The spatial pattern of the linear trend in PET of China illustrates that a widely significant increasing trend in PET appears during 1982–2010 in Northwest China, Central China, Northeast China and South China while there are no obvious variations of PET in other regions. Our findings illustrate that incident solar radiation (Rs is the largest contributor to the variation of PET in China, followed by vapor pressure deficit (VPD, air temperature (Tair and wind speed (WS. However, WS is the primary factor controlling inter-annual variation of PET over Northwest China.

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

International Nuclear Information System (INIS)

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

2005-01-01

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

Measuring surface flow velocity with smartphones: potential for citizen observatories

Science.gov (United States)

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

2014-05-01

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

Mapping the Diffusion Potential of a Reconstructed Au(111) Surface at Nanometer Scale with 2D Molecular Gas

International Nuclear Information System (INIS)

Yan Shi-Chao; Xie Nan; Gong Hui-Qi; Guo Yang; Shan Xin-Yan; Lu Xing-Hua; Sun Qian

2012-01-01

The adsorption and diffusion behaviors of benzene molecules on an Au(111) surface are investigated by low-temperature scanning tunneling microscopy. A herringbone surface reconstruction of the Au(111) surface is imaged with atomic resolution, and significantly different behaviors are observed for benzene molecules adsorbed on step edges and terraces. The electric field induced modification in the molecular diffusion potential is revealed with a 2D molecular gas model, and a new method is developed to map the diffusion potential over the reconstructed Au(111) surface at the nanometer scale. (condensed matter: structure, mechanical and thermal properties)

Toward Spectroscopically Detecting the Global Latitudinal Temperature Variation on the Solar Surface

Science.gov (United States)

Takeda, Y.; UeNo, S.

2017-09-01

A very slight rotation-induced latitudinal temperature variation (presumably on the order of several kelvin) on the solar surface is theoretically expected. While recent high-precision solar brightness observations reported its detection, confirmation by an alternative approach using the strengths of spectral lines is desirable, for which reducing the noise due to random fluctuation caused by atmospheric inhomogeneity is critical. Toward this difficult task, we carried out a pilot study of spectroscopically investigating the relative variation of temperature (T) at a number of points in the solar circumference region near to the limb (where latitude dependence should be detectable, if any exists) based on the equivalent widths (W) of 28 selected lines in the 5367 - 5393 Å and 6075 - 6100 Å regions. We paid special attention to i) clarifying which types of lines should be employed and ii) how much precision is attainable in practice. We found that lines with strong T-sensitivity (|log W/log T|) should be used and that very weak lines should be avoided because they inevitably suffer strong relative fluctuations (Δ W/W). Our analysis revealed that a precision of Δ T/T ≈ 0.003 (corresponding to ≈ 15 K) can be achieved at best by a spectral line with comparatively large |log W/log T|, although this can possibly be further improved When a number of lines are used all together. Accordingly, if many such favorable lines could be measured with subpercent precision of Δ W/W and by averaging the resulting Δ T/T from each line, the random noise would eventually be reduced to ≲ 1 K and detection of a very subtle amount of global T-gradient might be possible.

Deterministic prediction of surface wind speed variations

Directory of Open Access Journals (Sweden)

G. V. Drisya

2014-11-01

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

Composition, peat-forming vegetation and kerogen paraffinicity of Cenozoic coals: Relationship to variations in the petroleum generation potential (Hydrogen Index)

Energy Technology Data Exchange (ETDEWEB)

Petersen, H.I.; Lindstroem, S.; Nytoft, H.P.; Rosenberg, P. [Geological Survey of Denmark and Greenland (GEUS), Oester Voldgade 10, DK-1350 Copenhagen (Denmark)

2009-04-01

Coals with similar thermal maturity and from the same deposit normally show a considerable range in petroleum generation potential as measured by the Hydrogen Index (HI). This variation may partly be related to variations in plant input to the precursor mires and organic matter preservation. It is widely accepted that some Cenozoic coals and coaly sediments have the potential to generate oil, which is related to the coal's paraffinicity. Coal paraffinicity is not readily reflected in the bulk HI. In this paper, the relationships between measured HI and coal composition, coal kerogen paraffinicity and floral input have been investigated in detail for three sets of coals from Colombia/Venezuela, Indonesia, and Vietnam. The samples in each coal set are largely of iso-rank. The petroleum generation potential was determined by Rock-Eval pyrolysis. Reflected light microscopy was used to analyse the organic matter (maceral) composition and the thermal maturity was determined by vitrinite reflectance (VR) measurements. The botanical affinity of pollen and spores was analysed by palynology. Coal kerogen paraffinicity was determined by ruthenium tetroxide-catalysed oxidation (RTCO) followed by chain length analysis and quantification (mg/g TOC) of the liberated aliphatic chains. The coals are dominated by huminite, in particular detrohuminite. Only the Vietnamese coals are rich in microscopically visible liptinite. The pollen and spores suggest that the coals were derived principally from complex angiosperm mire vegetations, with subordinate proportions of ferns that generally grew in a subtropical to tropical climate. Measured HI values vary considerably, but for the majority of the coals the values lie between approximately 200 mg HC/g TOC and 300 mg HC/g TOC. Aliphatics yielding monocarboxylic acids dominate in the coal kerogen, whereas aliphatics yielding dicarboxylic acids are secondary. However, the dicarboxylic acids show that cross-linking long-chain aliphatics

Single cell wound generates electric current circuit and cell membrane potential variations that requires calcium influx.

Science.gov (United States)

Luxardi, Guillaume; Reid, Brian; Maillard, Pauline; Zhao, Min

2014-07-24

Breaching of the cell membrane is one of the earliest and most common causes of cell injury, tissue damage, and disease. If the compromise in cell membrane is not repaired quickly, irreversible cell damage, cell death and defective organ functions will result. It is therefore fundamentally important to efficiently repair damage to the cell membrane. While the molecular aspects of single cell wound healing are starting to be deciphered, its bio-physical counterpart has been poorly investigated. Using Xenopus laevis oocytes as a model for single cell wound healing, we describe the temporal and spatial dynamics of the wound electric current circuitry and the temporal dynamics of cell membrane potential variation. In addition, we show the role of calcium influx in controlling electric current circuitry and cell membrane potential variations. (i) Upon wounding a single cell: an inward electric current appears at the wound center while an outward electric current is observed at its sides, illustrating the wound electric current circuitry; the cell membrane is depolarized; calcium flows into the cell. (ii) During cell membrane re-sealing: the wound center current density is maintained for a few minutes before decreasing; the cell membrane gradually re-polarizes; calcium flow into the cell drops. (iii) In conclusion, calcium influx is required for the formation and maintenance of the wound electric current circuitry, for cell membrane re-polarization and for wound healing.

Simulated degradation of biochar and its potential environmental implications

International Nuclear Information System (INIS)

Liu, Zhaoyun; Demisie, Walelign; Zhang, Mingkui

2013-01-01

A simulated oxidation technique was used to examine the impacts of degradation on the surface properties of biochar and the potential implications of the changes in biochar properties were discussed. To simulate the short- and long-term environmental degradation, mild and harsh degradation were employed. Results showed that after mild degradation, the biochar samples showed significant reductions in surface area and pore volumes. After harsh degradation, the biochar samples revealed dramatic variations in their surface chemistry, surface area, pore volumes, morphology and adsorption properties. The results clearly indicate that changes of biochar surface properties were affected by biochar types and oxidative conditions. It is suggested that biochar surface properties are likely to be gradually altered during environmental exposure. This implies that these changes have potential effects for altering the physicochemical properties of biochar amended soils. -- Highlights: •Mild and harsh degradation were employed to simulate natural degradation of biochar. •Mild degradation could reduce the surface area and micropore volumes of biochar. •Harsh degradation caused severe changes of all of the biochar surface properties. •Biochar types and oxidative conditions may dominate the changes of its properties. -- The simulated degradation of biochar in this study could provide a mechanism for forecasting short- or long-term environmental degradation of biochar

Potential latitudinal variation in orodigestive tract cancers in Africa

African Journals Online (AJOL)

A latitudinal relationship has been found between the ... Africa should be focused in terms of regional variations to make best use of the fiscal allocation ..... Squamous cell carcinoma of the upper aerodigestive tract: Precursors and problematic.

Energy conservation potential of surface modification technologies

Energy Technology Data Exchange (ETDEWEB)

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

1985-09-01

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

Assessment of Morphological Variations and its Specific Location on the Surface of Adult Human Liver in Ethiopian Cadavers University of Gondar, Bahir Dar University, Addis Ababa University, St. Paulos Medical School and Hawassa University, Ethiopia

Directory of Open Access Journals (Sweden)

Tsegaye Mehare

2017-10-01

Full Text Available Background: Liver is the second largest organ next to skin and located in right hypochondrium, epigastrium and may extend to left hypochondrium in upper abdominal cavity. It accounts 2% to 3% of total body weight of individual. Land marking for interpreting different diagnostic image and localizing lesions in the liver is commonly done by major fissures. Sound knowledge about different morphological variations which are found on the surface of liver is mandatory to have safe surgical outcome. Segments of liver were extensively researched but there are only few studies dealt with the surface variation of the liver. Therefore, this study aims to assess morphological variations and its specific location on the surface of adult human liver in Ethiopian cadaver. Methodology: Institutional based cross sectional descriptive study design was conducted in 33 formalin fixed Ethiopian cadaveric livers in the Anatomy department of University of Gondar, Bahir Dar University, Addis Ababa University, St. Paulos Medical School and Hawassa University. Results: 45.45% of the liver was normal but 54.55% showed one or more variations. Additional fissures and very small left lobe with deep costal impressions were seen 27.27% and 21.21% cases respectively. Pons hepatis connecting left lobe with quadrate lobe and very deep renal impression with corset constriction were noted in 9.09% cases each. Additional lobes and absence of quadrate lobes were found in 6.06% cases each. Conclusion and Recommendation: Morphological variations on the liver surface were accessory fissure, very small left lobe with deep costal impressions, pons hepatis, shape variation and absence of quadrate lobe. The most common one among the variations was accessory fissure on the visceral and diaphragmatic surface.

Spatial potential ripples of azimuthal surface modes in topological insulator Bi2Te3 nanowires.

Science.gov (United States)

Muñoz Rojo, Miguel; Zhang, Yingjie; Manzano, Cristina V; Alvaro, Raquel; Gooth, Johannes; Salmeron, Miquel; Martin-Gonzalez, Marisol

2016-01-11

Topological insulators (TI) nanowires (NW) are an emerging class of structures, promising both novel quantum effects and potential applications in low-power electronics, thermoelectrics and spintronics. However, investigating the electronic states of TI NWs is complicated, due to their small lateral size, especially at room temperature. Here, we perform scanning probe based nanoscale imaging to resolve the local surface potential landscapes of Bi2Te3 nanowires (NWs) at 300 K. We found equipotential rings around the NWs perimeter that we attribute to azimuthal 1D modes. Along the NW axis, these modes are altered, forming potential ripples in the local density of states, due to intrinsic disturbances. Potential mapping of electrically biased NWs enabled us to accurately determine their conductivity which was found to increase with the decrease of NW diameter, consistent with surface dominated transport. Our results demonstrate that TI NWs can pave the way to both exotic quantum states and novel electronic devices.

The interaction of MnH(X 7Sigma+) with He: ab initio potential energy surface and bound states.

Science.gov (United States)

Turpin, Florence; Halvick, Philippe; Stoecklin, Thierry

2010-06-07

The potential energy surface of the ground state of the He-MnH(X (7)Sigma(+)) van der Waals complex is presented. Within the supermolecular approach of intermolecular energy calculations, a grid of ab initio points was computed at the multireference configuration interaction level using the aug-cc-pVQZ basis set for helium and hydrogen and the relativistic aug-cc-pVQZ-DK basis set for manganese. The potential energy surface was then fitted to a global analytical form which main features are discussed. As a first application of this potential energy surface, we present accurate calculations of bound energy levels of the (3)He-MnH and (4)He-MnH complexes.

The interaction of MnH(X 7Σ+) with He: Ab initio potential energy surface and bound states

Science.gov (United States)

Turpin, Florence; Halvick, Philippe; Stoecklin, Thierry

2010-06-01

The potential energy surface of the ground state of the He-MnH(X Σ7+) van der Waals complex is presented. Within the supermolecular approach of intermolecular energy calculations, a grid of ab initio points was computed at the multireference configuration interaction level using the aug-cc-pVQZ basis set for helium and hydrogen and the relativistic aug-cc-pVQZ-DK basis set for manganese. The potential energy surface was then fitted to a global analytical form which main features are discussed. As a first application of this potential energy surface, we present accurate calculations of bound energy levels of the H3e-MnH and H4e-MnH complexes.

Surface potential distribution and airflow performance of different air-exposed electrode plasma actuators at different alternating current/direct current voltages

Energy Technology Data Exchange (ETDEWEB)

Yang, Liang; Yan, Hui-Jie; Qi, Xiao-Hua; Hua, Yue; Ren, Chun-Sheng, E-mail: rchsh@dlut.edu.cn [School of Physics and Optoelectronic Technology, Key laboratory of Materials Modification by Laser, Ion and Electron Beams, Ministry of Education, Dalian University of Technology, Dalian 116023 (China)

2015-04-15

Asymmetric surface dielectric barrier discharge (SDBD) plasma actuators have been intensely studied for a number of years due to their potential applications for aerodynamic control. In this paper, four types of actuators with different configurations of exposed electrode are proposed. The SDBD actuators investigated are driven by dual-power supply, referred to as a fixed AC high voltage and an adjustable DC bias. The effects of the electrode structures on the dielectric surface potential distribution, the electric wind velocity, and the mean thrust production are studied, and the dominative factors of airflow acceleration behavior are revealed. The results have shown that the actions of the SDBD actuator are mainly dependent on the geometry of the exposed electrode. Besides, the surface potential distribution can effectively affect the airflow acceleration behavior. With the application of an appropriate additional DC bias, the surface potential will be modified. As a result, the performance of the electric wind produced by a single SDBD can be significantly improved. In addition, the work also illustrates that the actuators with more negative surface potential present better mechanical performance.

Surface potential distribution and airflow performance of different air-exposed electrode plasma actuators at different alternating current/direct current voltages

International Nuclear Information System (INIS)

Yang, Liang; Yan, Hui-Jie; Qi, Xiao-Hua; Hua, Yue; Ren, Chun-Sheng

2015-01-01

Asymmetric surface dielectric barrier discharge (SDBD) plasma actuators have been intensely studied for a number of years due to their potential applications for aerodynamic control. In this paper, four types of actuators with different configurations of exposed electrode are proposed. The SDBD actuators investigated are driven by dual-power supply, referred to as a fixed AC high voltage and an adjustable DC bias. The effects of the electrode structures on the dielectric surface potential distribution, the electric wind velocity, and the mean thrust production are studied, and the dominative factors of airflow acceleration behavior are revealed. The results have shown that the actions of the SDBD actuator are mainly dependent on the geometry of the exposed electrode. Besides, the surface potential distribution can effectively affect the airflow acceleration behavior. With the application of an appropriate additional DC bias, the surface potential will be modified. As a result, the performance of the electric wind produced by a single SDBD can be significantly improved. In addition, the work also illustrates that the actuators with more negative surface potential present better mechanical performance

Antarctic Ice Shelf Potentially Stabilized by Export of Meltwater in Surface River

Science.gov (United States)

Bell, Robin E.; Chu, Winnie; Kingslake, Jonathan; Das, Indrani; Tedesco, Marco; Tinto, Kirsty J.; Zappa, Christopher J.; Frezzotti, Massimo; Boghosian, Alexandra; Lee, Won Sang

2017-01-01

Meltwater stored in ponds and crevasses can weaken and fracture ice shelves, triggering their rapid disintegration. This ice-shelf collapse results in an increased flux of ice from adjacent glaciers and ice streams, thereby raising sea level globally. However, surface rivers forming on ice shelves could potentially export stored meltwater and prevent its destructive effects. Here we present evidence for persistent active drainage networks-interconnected streams, ponds and rivers-on the Nansen Ice Shelf in Antarctica that export a large fraction of the ice shelf's meltwater into the ocean. We find that active drainage has exported water off the ice surface through waterfalls and dolines for more than a century. The surface river terminates in a 130-metre-wide waterfall that can export the entire annual surface melt over the course of seven days. During warmer melt seasons, these drainage networks adapt to changing environmental conditions by remaining active for longer and exporting more water. Similar networks are present on the ice shelf in front of Petermann Glacier, Greenland, but other systems, such as on the Larsen C and Amery Ice Shelves, retain surface water at present. The underlying reasons for export versus retention remain unclear. Nonetheless our results suggest that, in a future warming climate, surface rivers could export melt off the large ice shelves surrounding Antarctica-contrary to present Antarctic ice-sheet models, which assume that meltwater is stored on the ice surface where it triggers ice-shelf disintegration.

Artificial Niches for Stromal Stem Cells as a Potential Instrument for the Design of the Surface of Biomimetic Osteogenic Materials

Science.gov (United States)

Khlusov, I. A.; Khlusova, M. Yu.; Pichugin, V. F.; Sharkeev, Yu. P.; Legostaeva, E. V.

2014-02-01

A relationship between the topography of rough calcium phosphate surfaces having osteogenic niche-reliefs and the electrostatic potential of these surfaces as a possible instrument to control stromal stem cells has been investigated. The in vitro culture of human lung prenatal stromal cells on nanostructured/ultrafine-grained VT1.0 titanium alloy plates with bilateral rough calcium phosphate (CaP) microarc coating was used. It was established that the amplitude of the electret CaP surface potential linearly increased with increasing area of valleys (sockets), and the negative charge is formed on the socket surface. The area of alkaline phosphatase staining (the marker of osteoblast maturation and differentiation) of adherent CD34- CD44+ cells increases linearly with increasing area of artificial microterritory (socket) of the CaP surface occupied with each cell. The negative electret potential in valleys (sockets) of microarc CaP coatings can be the physical mechanism mediating the influence of the surface topography on osteogenic maturation and differentiation of cells in vitro. This mechanism can be called "niche-potential" and can be used as an instrument for biomimetic modification of smooth CaP surfaces to strengthen their integration with the bone tissue.

How Can Polarization States of Reflected Light from Snow Surfaces Inform Us on Surface Normals and Ultimately Snow Grain Size Measurements?

Science.gov (United States)

Schneider, A. M.; Flanner, M.; Yang, P.; Yi, B.; Huang, X.; Feldman, D.

2016-12-01

The Snow Grain Size and Pollution (SGSP) algorithm is a method applied to Moderate Resolution Imaging Spectroradiometer data to estimate snow grain size from space-borne measurements. Previous studies validate and quantify potential sources of error in this method, but because it assumes flat snow surfaces, however, large scale variations in surface normals can cause biases in its estimates due to its dependence on solar and observation zenith angles. To address these variations, we apply the Monte Carlo method for photon transport using data containing the single scattering properties of different ice crystals to calculate polarization states of reflected monochromatic light at 1500nm from modeled snow surfaces. We evaluate the dependence of these polarization states on solar and observation geometry at 1500nm because multiple scattering is generally a mechanism for depolarization and the ice crystals are relatively absorptive at this wavelength. Using 1500nm thus results in a higher number of reflected photons undergoing fewer scattering events, increasing the likelihood of reflected light having higher degrees of polarization. In evaluating the validity of the model, we find agreement with previous studies pertaining to near-infrared spectral directional hemispherical reflectance (i.e. black-sky albedo) and similarities in measured bidirectional reflectance factors, but few studies exist modeling polarization states of reflected light from snow surfaces. Here, we present novel results pertaining to calculated polarization states and compare dependences on solar and observation geometry for different idealized snow surfaces. If these dependencies are consistent across different ice particle shapes and sizes, then these findings could inform the SGSP algorithm by providing useful relationships between measurable physical quantities and solar and observation geometry to better understand variations in snow surface normals from remote sensing observations.

Development of a Method to Compensate for Signal Quality Variations in Repeated Auditory Event-Related Potential Recordings

Science.gov (United States)

Paukkunen, Antti K. O.; Leminen, Miika M.; Sepponen, Raimo

2010-01-01

Reliable measurements are mandatory in clinically relevant auditory event-related potential (AERP)-based tools and applications. The comparability of the results gets worse as a result of variations in the remaining measurement error. A potential method is studied that allows optimization of the length of the recording session according to the concurrent quality of the recorded data. In this way, the sufficiency of the trials can be better guaranteed, which enables control of the remaining measurement error. The suggested method is based on monitoring the signal-to-noise ratio (SNR) and remaining measurement error which are compared to predefined threshold values. The SNR test is well defined, but the criterion for the measurement error test still requires further empirical testing in practice. According to the results, the reproducibility of average AERPs in repeated experiments is improved in comparison to a case where the number of recorded trials is constant. The test-retest reliability is not significantly changed on average but the between-subject variation in the value is reduced by 33–35%. The optimization of the number of trials also prevents excessive recordings which might be of practical interest especially in the clinical context. The efficiency of the method may be further increased by implementing online tools that improve data consistency. PMID:20407635

Forces on nuclei moving on autoionizing molecular potential energy surfaces.

Science.gov (United States)

Moiseyev, Nimrod

2017-01-14

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

Variation in PAH inputs and microbial community in surface sediments of Hamilton Harbour: Implications to remediation and monitoring

International Nuclear Information System (INIS)

Slater, G.F.; Cowie, B.R.; Harper, N.; Droppo, I.G.

2008-01-01

Variations in concentrations of polycyclic aromatic hydrocarbons (PAHs) and microbial community indicators were investigated in representative highly contaminated and less contaminated surface sediment sites of Hamilton Harbour. Inputs of PAH to the upper 3 cm of sediments up to four times the average upper sediment concentrations were observed. Associated PAH fingerprint profiles indicated that the source was consistent with the PAH source to the industrial region of the harbour. Increased PAH loadings were associated with decreased bacterial populations as indicated by phospholipid fatty acid (PLFA) concentrations. However, relatively minor impacts on overall community composition were indicated. Porewater methane concentrations and isotopic data indicated a difference in the occurrence of methane oxidation between the two sites. This study confirms temporally limited transport of contaminants from highly impacted regions as a vector for contaminants within the harbour and the impact on microbial carbon cycling and bed stability. - Variations in PAH inputs to harbour sediments have implications to implementation and monitoring of mitigation/remediation efforts

Phonon-mediated decay of an atom in a surface-induced potential

International Nuclear Information System (INIS)

Kien, Fam Le; Hakuta, K.; Dutta Gupta, S.

2007-01-01

We study phonon-mediated transitions between translational levels of an atom in a surface-induced potential. We present a general master equation governing the dynamics of the translational states of the atom. In the framework of the Debye model, we derive compact expressions for the rates for both upward and downward transitions. Numerical calculations for the transition rates are performed for a deep silica-induced potential allowing for a large number of bound levels as well as free states of a cesium atom. The total absorption rate is shown to be determined mainly by the bound-to-bound transitions for deep bound levels and by bound-to-free transitions for shallow bound levels. Moreover, the phonon emission and absorption processes can be orders of magnitude larger for deep bound levels as compared to the shallow bound ones. We also study various types of transitions from free states. We show that, for thermal atomic cesium with a temperature in the range from 100 μK to 400 μK in the vicinity of a silica surface with a temperature of 300 K, the adsorption (free-to-bound decay) rate is about two times larger than the heating (free-to-free upward decay) rate, while the cooling (free-to-free downward decay) rate is negligible

A Genetically Encoded pH Sensor for Tracking Surface Proteins through Endocytosis**

OpenAIRE

Grover, Anmol; Schmidt, Brigitte F.; Salter, Russell D.; Watkins, Simon C.; Waggoner, Alan S.; Bruchez, Marcel P.

2012-01-01

We have combined our fluorogen activating peptide[1] with a new tandem dye molecule to develop a biosensor that labels a cell-surface protein and displays an easily detectable pH dependent emission color change by efficient intramolecular Förster resonant energy transfer. This probe has demonstrated pH variations in β2-adrenergic receptor trafficking and revealed a process of surface to endosome inter-cellular transfer in dendritic cells with potential significance in antigen transfer.

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

NARCIS (Netherlands)

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

2010-01-01

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

Surface modification of zinc oxide nanorods for potential applications in organic materials

International Nuclear Information System (INIS)

Zhang Lei; Zhong Min; Ge Hongliang

2011-01-01

A facile and simple modification method towards changing surface property of ZnO nanorods from a hydrophilic one to a hydrophobic one have been developed by refluxing precursor in three-necked flask. Comparing with the other modifiers discussed in the paper, NDZ-311w titanate coupling agent was selected as the best one not only because of the good lipophilic modification effect, but also for its multifunctional groups could play a crucial part in further composite with organic materials. Moreover, transmission electron microscopy (TEM), X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR), respectively, were used to evaluate the morphology, structure and combinative way before and after surface modification. The TEM result showed, after modifying process, there was a thin layer capping on the surface of ZnO nanorods which could be considered as NDZ-311w titanate coupling agent. Through the structure analysis by XRD, it was found that the surface modification had not substantially altered crystalline structure. Besides, the FT-IR test proved that NDZ-311w titanate coupling agent was rather covalently bonded to the surface of ZnO nanorods than physically capping. More practically speaking, the NDZ-311w titanate coupling agent modified ZnO nanorods have much more potential applications in organic materials than unmodified ones.

Mapping stellar surface features

International Nuclear Information System (INIS)

Noah, P.V.

1987-01-01

New photometric and spectroscopic observations of the RS Canum Venaticorum binaries Sigma Geminorum and UX Arietis are reported along with details of the Doppler-imaging program SPOTPROF. The observations suggest that the starspot activity on Sigma Gem has decreased to 0.05 magnitude in two years. A photometric spot model for September 1984 to January 1985 found that a single spot covering 2% of the surface and 1000 K cooler than the surrounding photosphere could model the light variations. Equivalent-width observations contemporaneous with the photometric observations did not show any significant variations. Line-profile models from SPOTPROF predict that the variation of the equivalent width of the 6393 A Fe I line should be ∼ 1mA. Photometric observations of UX Ari from January 1984 to March 1985 show an 0.3 magnitude variation indicating a large spot group must cover the surface. Contemporaneous spectroscopic observations show asymmetric line profiles. The Doppler imaging and the photometric light-curve models were used in an iterative method to describe the stellar surface-spot distribution and successfully model both the photometric and the spectroscopic variations

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

Science.gov (United States)

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

2017-12-01

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

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

Directory of Open Access Journals (Sweden)

Ashima Sharma

2016-03-01

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

Reversible electrochemical modification of the surface of a semiconductor by an atomic-force microscope probe

Energy Technology Data Exchange (ETDEWEB)

Kozhukhov, A. S., E-mail: antonkozhukhov@yandex.ru; Sheglov, D. V.; Latyshev, A. V. [Russian Academy of Sciences, Rzhanov Institute of Semiconductor Physics, Siberian Branch (Russian Federation)

2017-04-15

A technique for reversible surface modification with an atomic-force-microscope (AFM) probe is suggested. In this method, no significant mechanical or topographic changes occur upon a local variation in the surface potential of a sample under the AFM probe. The method allows a controlled relative change in the ohmic resistance of a channel in a Hall bridge within the range 20–25%.

Stair-Step Particle Flux Spectra on the Lunar Surface: Evidence for Nonmonotonic Potentials?

Science.gov (United States)

Collier, Michael R.; Newheart, Anastasia; Poppe, Andrew R.; Hills, H. Kent; Farrell, William M.

2016-01-01

We present examples of unusual "stair-step" differential flux spectra observed by the Apollo 14 Suprathermal Ion Detector Experiment on the lunar dayside surface in Earth's magnetotail. These spectra exhibit a relatively constant differential flux below some cutoff energy and then drop off precipitously, by about an order of magnitude or more, at higher energies. We propose that these spectra result from photoions accelerated on the lunar dayside by nonmonotonic potentials (i.e.,potentials that do not decay to zero monotonically) and present a model for the expected differential flux. The energy of the cutoff and the magnitude of the differential flux are related to the properties of the local space environment and are consistent with the observed flux spectra. If this interpretation is correct, these surface-based ion observations provide a unique perspective that both complements and enhances the conclusions obtained by remote-sensing orbiter observations on the Moon's exospheric and electrostatic properties.

Nano surface engineering of Mn 2 O 3 for potential light-harvesting application

KAUST Repository

Kar, Prasenjit; Sardar, Samim; Ghosh, Srabanti; Parida, Manas R.; Liu, Bo; Mohammed, Omar F.; Lemmens, Peter; Pal, Samir Kumar

2015-01-01

Manganese oxides are well known applied materials including their use as efficient catalysts for various environmental applications. Multiple oxidation states and their change due to various experimental conditions are concluded to be responsible for their multifaceted functionality. Here we demonstrate that the interaction of a small organic ligand with one of the oxide varieties induces completely new optical properties and functionalities (photocatalysis). We have synthesized Mn2O3 microspheres via a hydrothermal route and characterized them using scanning electron microscopy (SEM), X-ray diffraction (XRD) and elemental mapping (EDAX). When the microspheres are allowed to interact with the biologically important small ligand citrate, nanometer-sized surface functionalized Mn2O3 (NPs) are formed. Raman and Fourier transformed infrared spectroscopy confirm the covalent attachment of the citrate ligand to the dangling bond of Mn at the material surface. While cyclic voltammetry (CV) and X-ray photoelectron spectroscopy (XPS) analysis confirm multiple surface charge states after the citrate functionalization of the Mn2O3 NPs, new optical properties of the surface engineered nanomaterials in terms of absorption and emission emerge consequently. The engineered material offers a novel photocatalytic functionality to the model water contaminant methylene blue (MB). The effect of doping other metal ions including Fe3+ and Cu2+ on the optical and catalytic properties is also investigated. In order to prepare a prototype for potential environmental application of water decontamination, we have synthesized and duly functionalized the material on the extended surface of a stainless steel metal mesh (size 2 cm × 1.5 cm, pore size 150 μm × 200 μm). We demonstrate that the functionalized mesh always works as a "physical" filter of suspended particulates. However, it works as a "chemical" filter (photocatalyst) for the potential water soluble contaminant (MB) in the presence

Effect of SP-C on surface potential distribution in pulmonary surfactant: Atomic force microscopy and Kelvin probe force microscopy study

International Nuclear Information System (INIS)

Hane, Francis; Moores, Brad; Amrein, Matthias; Leonenko, Zoya

2009-01-01

The air-lung interface is covered by a molecular film of pulmonary surfactant (PS). The major function of the film is to reduce the surface tension of the lung's air-liquid interface, providing stability to the alveolar structure and reducing the work of breathing. Earlier we have shown that function of bovine lipid extract surfactant (BLES) is related to the specific molecular architecture of surfactant films. Defined molecular arrangement of the lipids and proteins of the surfactant film also give rise to a local highly variable electrical surface potential of the interface. In this work we investigated a simple model of artificial lung surfactant consisting of DPPC, eggPG, and surfactant protein C (SP-C). Effects of surface compression and the presence of SP-C on the monolayer structure and surface potential distribution were investigated using atomic force microscopy (AFM) and Kelvin probe force microscopy (KPFM). We show that topography and locally variable surface potential of DPPC-eggPG lipid mixture are similar to those of pulmonary surfactant BLES in the presence of SP-C and differ in surface potential when SP-C is absent.

Appearance of the minority dz2 surface state and disappearance of the image-potential state: Criteria for clean Fe(001)

Science.gov (United States)

Eibl, Christian; Schmidt, Anke B.; Donath, Markus

2012-10-01

The unoccupied surface electronic structure of clean and oxidized Fe(001) was studied with spin-resolved inverse photoemission and target current spectroscopy. For the clean surface, we detected a dz2 surface state with minority spin character just above the Fermi level, while the image-potential surface state disappears. The opposite is observed for the ordered p(1×1)O/Fe(001) surface: the dz2-type surface state is quenched, while the image-potential state shows up as a pronounced feature. This behavior indicates enhanced surface reflectivity at the oxidized surface. The appearance and disappearance of specific unoccupied surface states prove to be decisive criteria for a clean Fe(001) surface. In addition, enhanced spin asymmetry in the unoccupied states is observed for the oxidized surface. Our results have implications for the use of clean and oxidized Fe(001) films as spin-polarization detectors.

Effect of hydrodynamic slippage on electro-osmotic flow in zeta potential patterned nanochannels

Energy Technology Data Exchange (ETDEWEB)

Datta, S; Choudhary, J N, E-mail: subhra-datta@iitd.ac.in [Department of Mechanical Engineering, Indian Institute of Technology Delhi, Hauz Khas, New Delhi 110016 (India)

2013-10-01

The effect of hydrodynamic slippage on the electro-osmotic flow in a nanochannel with thick electrical double layers whose wall surface potential has a periodic axial variation is studied. The equations of Stokes flow are solved exactly with the help of the Navier slip boundary condition and the Debye-Huckel linearization of the equation governing the potential of the electrical double layer. Each periodic cell of the flow field consists of four counter-rotating vortices. The cross-channel profile of the axial velocity at the center of the cell exhibits three extrema and a reversed velocity zone near the channel axis of symmetry. The size of the extrema and that of the reversed velocity zone increases with increase in the degree of slippage. In the limit when the wavelength of axial variation in surface potential is much larger than the channel width, the flow characteristics are interpreted in terms of the lubrication approximation. In the limit when the electrical double layer is much thinner than the channel height, the effect of slip is modeled by a Helmholtz-Smoluchowski apparent slip boundary condition that depends on the pattern wavelength. (paper)

Dynamical behavior of the wave packets on adiabatic potential surfaces observed by femtosecond luminescence spectroscopy

International Nuclear Information System (INIS)

Suemoto, Tohru; Nakajima, Makoto; Matsuoka, Taira; Yasukawa, Keizo; Koyama, Takeshi

2007-01-01

The wave packet dynamics on adiabatic potential surfaces studied by means of time-resolved luminescence spectroscopy is reviewed and the advantages of this method are discussed. In quasi-one-dimensional bromine-bridged platinum complexes, a movie representing the time evolution of the wave packet motion and shape was constructed. A two-dimensional Lissajous-like motion of the wave packet was suggested in the same material at low temperature. In F-centers in KI, evidence for tunneling of the wave packet between the adjacent adiabatic potential surfaces was found. Selective observation of the wave packet motion on the excited state was demonstrated for F-centers in KBr and compared with the results from pump-and-probe experiments in literature

An ab initio potential energy surface for the reaction N+ + H2→ NH+ + H

International Nuclear Information System (INIS)

Gittins, M.A.; Hirst, D.M.

1975-01-01

Preliminary results of ab initio unrestricted Hartree-Fock calculations for the potential energy surface for the reaction N + + H 2 →NH + + H are reported. For the collinear approach of N + to H 2 , the 3 Σ - surface has no activation barrier and has a shallow well (ca.1eV). For perpendicular approach (Csub(2V)symmetry) the 3 B 2 states is of high energy, the 3 A 2 state has a shallow well but as the bond angle increases the 3 B 1 states decreases in energy to become the state of lowest energy. Neither the collinear nor the perpendicular approaches give adiabatic pathways to the deep potential well of 3 B 1 (HNH) + . (auth.)

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

International Nuclear Information System (INIS)

Trostel, R.

1982-01-01

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

Spatial distribution and vertical variation of arsenic in Guangdong soil profiles, China

International Nuclear Information System (INIS)

Zhang, H.H.; Yuan, H.X.; Hu, Y.G.; Wu, Z.F.; Zhu, L.A.; Zhu, L.; Li, F.B.; LI, D.Q.

2006-01-01

Total of 260 soil profiles were reported to investigate the arsenic spatial distribution and vertical variation in Guangdong province. The arsenic concentration followed an approximately lognormal distribution. The arsenic geometric mean concentration of 10.4 mg/kg is higher than that of China. An upper baseline concentration of 23.4 mg/kg was estimated for surface soils. The influence of soil properties on arsenic concentration was not important. Arsenic spatial distributions presented similar patterns that high arsenic concentration mainly located in limestone, and sandshale areas, indicating that soil arsenic distribution was dependent on bedrock properties than anthropogenic inputs. Moreover, from A- to C-horizon arsenic geometric mean concentrations had an increasing tendency of 10.4, 10.7 to 11.3 mg/kg. This vertical variation may be related to the lower soil organic matter and soil degradation and erosion. Consequently, the soil arsenic export into surface and groundwaters would reach 1040 t year -1 in the study area. - Soil arsenic movement export is a potential threat to the water quality of the study area

The AMMA-CATCH Gourma observatory site in Mali: Relating climatic variations to changes in vegetation, surface hydrology, fluxes and natural resources

Science.gov (United States)

Mougin, E.; Hiernaux, P.; Kergoat, L.; Grippa, M.; de Rosnay, P.; Timouk, F.; Le Dantec, V.; Demarez, V.; Lavenu, F.; Arjounin, M.; Lebel, T.; Soumaguel, N.; Ceschia, E.; Mougenot, B.; Baup, F.; Frappart, F.; Frison, P. L.; Gardelle, J.; Gruhier, C.; Jarlan, L.; Mangiarotti, S.; Sanou, B.; Tracol, Y.; Guichard, F.; Trichon, V.; Diarra, L.; Soumaré, A.; Koité, M.; Dembélé, F.; Lloyd, C.; Hanan, N. P.; Damesin, C.; Delon, C.; Serça, D.; Galy-Lacaux, C.; Seghieri, J.; Becerra, S.; Dia, H.; Gangneron, F.; Mazzega, P.

2009-08-01

SummaryThe Gourma site in Mali is one of the three instrumented meso-scale sites deployed in West-Africa as part of the African Monsoon Multi-disciplinary Analysis (AMMA) project. Located both in the Sahelian zone sensu stricto, and in the Saharo-Sahelian transition zone, the Gourma meso-scale window is the northernmost site of the AMMA-CATCH observatory reached by the West African Monsoon. The experimental strategy includes deployment of a variety of instruments, from local to meso-scale, dedicated to monitoring and documentation of the major variables characterizing the climate forcing, and the spatio-temporal variability of surface processes and state variables such as vegetation mass, leaf area index (LAI), soil moisture and surface fluxes. This paper describes the Gourma site, its associated instrumental network and the research activities that have been carried out since 1984. In the AMMA project, emphasis is put on the relations between climate, vegetation and surface fluxes. However, the Gourma site is also important for development and validation of satellite products, mainly due to the existence of large and relatively homogeneous surfaces. The social dimension of the water resource uses and governance is also briefly analyzed, relying on field enquiry and interviews. The climate of the Gourma region is semi-arid, daytime air temperatures are always high and annual rainfall amounts exhibit strong inter-annual and seasonal variations. Measurements sites organized along a north-south transect reveal sharp gradients in surface albedo, net radiation, vegetation production, and distribution of plant functional types. However, at any point along the gradient, surface energy budget, soil moisture and vegetation growth contrast between two main types of soil surfaces and hydrologic systems. On the one hand, sandy soils with high water infiltration rates and limited run-off support almost continuous herbaceous vegetation with scattered woody plants. On the other

Simultaneous observation of seasonal variations of beryllium-7 and typical POPs in near-surface atmospheric aerosols in Guangzhou, China

Science.gov (United States)

Pan, Jing; Yang, Yong-Liang; Zhang, Gan; Shi, Jing-Lei; Zhu, Xiao-Hua; Li, Yong; Yu, Han-Qing

2011-07-01

Near-surface atmospheric aerosol samples were collected at the sampling frequency of 2-3 d per week for one year from August 2006 to August 2007 at a low latitude station in Tianhe District, Guangzhou, Guangdong Province of southern China. The samples were analyzed for cosmogenic nuclide 7Be and persistent organic pollutants, i.e. organochlorine pesticides (OCPs), polychlorinated biphenyls (PCBs), and polybrominated diphenyl ethers (PBDEs). The annual average 7Be concentration was 2.59 mBq m -3, with the maximum occurred in May (8.45 mBq m -3) and minimum in late August and early September (0.07 mBq m -3). Winter and spring were the seasons in which the 7Be concentrations were high while summer and autumn were the lower 7Be seasons. Spring peaks in 7Be in the near-surface atmospheric aerosols may have associated with the "spring leak maximum" episode. The annual average ∑OCPs concentration was 345.6 pg m -3, ∑ 33PCBs 317.6 pg m -3, and ∑ 31PBDEs 609.0 pg m -3. The variation trends in the time-series of 7Be, OCPs, PCBs, and PBDEs in near-surface atmospheric aerosol showed both common features and differences. Significant correlations ( R2 = 0.957 and 0.811. respectively, p = 0.01) were observed between the monthly average 7Be concentrations and those of ∑PCBs and ∑PBDEs in summer, autumn, and early winter. The difference between the seasonal variation features of OCPs and PCBs (and PBDEs) could be attributed to the different source functions and physical-chemical properties which could control the behaviors of these compounds in air-aerosol partitions as well as atmospheric transport.

Fractal analysis as a potential tool for surface morphology of thin films

Science.gov (United States)

Soumya, S.; Swapna, M. S.; Raj, Vimal; Mahadevan Pillai, V. P.; Sankararaman, S.

2017-12-01

Fractal geometry developed by Mandelbrot has emerged as a potential tool for analyzing complex systems in the diversified fields of science, social science, and technology. Self-similar objects having the same details in different scales are referred to as fractals and are analyzed using the mathematics of non-Euclidean geometry. The present work is an attempt to correlate fractal dimension for surface characterization by Atomic Force Microscopy (AFM). Taking the AFM images of zinc sulphide (ZnS) thin films prepared by pulsed laser deposition (PLD) technique, under different annealing temperatures, the effect of annealing temperature and surface roughness on fractal dimension is studied. The annealing temperature and surface roughness show a strong correlation with fractal dimension. From the regression equation set, the surface roughness at a given annealing temperature can be calculated from the fractal dimension. The AFM images are processed using Photoshop and fractal dimension is calculated by box-counting method. The fractal dimension decreases from 1.986 to 1.633 while the surface roughness increases from 1.110 to 3.427, for a change of annealing temperature 30 ° C to 600 ° C. The images are also analyzed by power spectrum method to find the fractal dimension. The study reveals that the box-counting method gives better results compared to the power spectrum method.

Wetting of flat gradient surfaces.

Science.gov (United States)

Bormashenko, Edward

2018-04-01

Gradient, chemically modified, flat surfaces enable directed transport of droplets. Calculation of apparent contact angles inherent for gradient surfaces is challenging even for atomically flat ones. Wetting of gradient, flat solid surfaces is treated within the variational approach, under which the contact line is free to move along the substrate. Transversality conditions of the variational problem give rise to the generalized Young equation valid for gradient solid surfaces. The apparent (equilibrium) contact angle of a droplet, placed on a gradient surface depends on the radius of the contact line and the values of derivatives of interfacial tensions. The linear approximation of the problem is considered. It is demonstrated that the contact angle hysteresis is inevitable on gradient surfaces. Electrowetting of gradient surfaces is discussed. Copyright © 2018 Elsevier Inc. All rights reserved.

Beyond Massive MIMO: The Potential of Data Transmission With Large Intelligent Surfaces

Science.gov (United States)

Hu, Sha; Rusek, Fredrik; Edfors, Ove

2018-05-01

In this paper, we consider the potential of data-transmission in a system with a massive number of radiating and sensing elements, thought of as a contiguous surface of electromagnetically active material. We refer to this as a large intelligent surface (LIS). The "LIS" is a newly proposed concept, which conceptually goes beyond contemporary massive MIMO technology, that arises from our vision of a future where man-made structures are electronically active with integrated electronics and wireless communication making the entire environment "intelligent". We consider capacities of single-antenna autonomous terminals communicating to the LIS where the entire surface is used as a receiving antenna array. Under the condition that the surface-area is sufficiently large, the received signal after a matched-filtering (MF) operation can be closely approximated by a sinc-function-like intersymbol interference (ISI) channel. We analyze the capacity per square meter (m^2) deployed surface, \\hat{C}, that is achievable for a fixed transmit power per volume-unit, \\hat{P}. Moreover, we also show that the number of independent signal dimensions per m deployed surface is 2/\\lambda for one-dimensional terminal-deployment, and \\pi/\\lambda^2 per m^2 for two and three dimensional terminal-deployments. Lastly, we consider implementations of the LIS in the form of a grid of conventional antenna elements and show that, the sampling lattice that minimizes the surface-area of the LIS and simultaneously obtains one signal space dimension for every spent antenna is the hexagonal lattice. We extensively discuss the design of the state-of-the-art low-complexity channel shortening (CS) demodulator for data-transmission with the LIS.

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

Estimation of Nanodiamond Surface Charge Density from Zeta Potential and Molecular Dynamics Simulations.

Science.gov (United States)

Ge, Zhenpeng; Wang, Yi

2017-04-20

Molecular dynamics simulations of nanoparticles (NPs) are increasingly used to study their interactions with various biological macromolecules. Such simulations generally require detailed knowledge of the surface composition of the NP under investigation. Even for some well-characterized nanoparticles, however, this knowledge is not always available. An example is nanodiamond, a nanoscale diamond particle with surface dominated by oxygen-containing functional groups. In this work, we explore using the harmonic restraint method developed by Venable et al., to estimate the surface charge density (σ) of nanodiamonds. Based on the Gouy-Chapman theory, we convert the experimentally determined zeta potential of a nanodiamond to an effective charge density (σ eff ), and then use the latter to estimate σ via molecular dynamics simulations. Through scanning a series of nanodiamond models, we show that the above method provides a straightforward protocol to determine the surface charge density of relatively large (> ∼100 nm) NPs. Overall, our results suggest that despite certain limitation, the above protocol can be readily employed to guide the model construction for MD simulations, which is particularly useful when only limited experimental information on the NP surface composition is available to a modeler.

Potential of near-surface geothermal heat - Experiences from the planning practice; Potential der oberflaechennahen Geothermie. Erfahrungen aus der Planungspraxis

Energy Technology Data Exchange (ETDEWEB)

Kuebert, Markus; Kuntz, David; Walker-Hertkorn, Simone [systherma GmbH, Planungsbuero fuer Erdwaermesysteme, Starzach-Felldorf (Germany)

2010-07-01

Near-surface geothermal applications as a heat source for ground source heat pump systems are an approved energy source in the area of residential buildings. Within the commercial range, the near-surface geothermal energy also can supply coldness in order to cool buildings. In the contribution under consideration, a flow chart of a geothermal project is presented by examining the feasibility up to the acceptance of work. With this approach it is possible to exhaust optimally the geothermal potential at a location including the trades and planners involved. In particular, the significance of the preliminary design for the entire later smooth course of the project is to be stated. Practical examples for possible operational areas of the geothermal energy and to their borders are described.

Antibacterial Metallic Touch Surfaces

Directory of Open Access Journals (Sweden)

Victor M. Villapún

2016-08-01

Full Text Available Our aim is to present a comprehensive review of the development of modern antibacterial metallic materials as touch surfaces in healthcare settings. Initially we compare Japanese, European and US standards for the assessment of antimicrobial activity. The variations in methodologies defined in these standards are highlighted. Our review will also cover the most relevant factors that define the antimicrobial performance of metals, namely, the effect of humidity, material geometry, chemistry, physical properties and oxidation of the material. The state of the art in contact-killing materials will be described. Finally, the effect of cleaning products, including disinfectants, on the antimicrobial performance, either by direct contact or by altering the touch surface chemistry on which the microbes attach, will be discussed. We offer our outlook, identifying research areas that require further development and an overview of potential future directions of this exciting field.

Constructing polyatomic potential energy surfaces by interpolating diabatic Hamiltonian matrices with demonstration on green fluorescent protein chromophore

Energy Technology Data Exchange (ETDEWEB)

Park, Jae Woo; Rhee, Young Min, E-mail: ymrhee@postech.ac.kr [Center for Self-assembly and Complexity, Institute for Basic Science (IBS), Pohang 790-784 (Korea, Republic of); Department of Chemistry, Pohang University of Science and Technology (POSTECH), Pohang 790-784 (Korea, Republic of)

2014-04-28

Simulating molecular dynamics directly on quantum chemically obtained potential energy surfaces is generally time consuming. The cost becomes overwhelming especially when excited state dynamics is aimed with multiple electronic states. The interpolated potential has been suggested as a remedy for the cost issue in various simulation settings ranging from fast gas phase reactions of small molecules to relatively slow condensed phase dynamics with complex surrounding. Here, we present a scheme for interpolating multiple electronic surfaces of a relatively large molecule, with an intention of applying it to studying nonadiabatic behaviors. The scheme starts with adiabatic potential information and its diabatic transformation, both of which can be readily obtained, in principle, with quantum chemical calculations. The adiabatic energies and their derivatives on each interpolation center are combined with the derivative coupling vectors to generate the corresponding diabatic Hamiltonian and its derivatives, and they are subsequently adopted in producing a globally defined diabatic Hamiltonian function. As a demonstration, we employ the scheme to build an interpolated Hamiltonian of a relatively large chromophore, para-hydroxybenzylidene imidazolinone, in reference to its all-atom analytical surface model. We show that the interpolation is indeed reliable enough to reproduce important features of the reference surface model, such as its adiabatic energies and derivative couplings. In addition, nonadiabatic surface hopping simulations with interpolation yield population transfer dynamics that is well in accord with the result generated with the reference analytic surface. With these, we conclude by suggesting that the interpolation of diabatic Hamiltonians will be applicable for studying nonadiabatic behaviors of sizeable molecules.

Rating of roofs’ surfaces regarding their solar potential and suitability for PV systems, based on LiDAR data

International Nuclear Information System (INIS)

Lukač, Niko; Žlaus, Danijel; Seme, Sebastijan; Žalik, Borut; Štumberger, Gorazd

2013-01-01

Highlights: ► A new method for estimating and rating buildings roofs’ solar potential is presented. ► Considering LiDAR geospatial data together with pyranometer measurements. ► Use of multi-resolution shadowing model with new heuristic vegetation shadowing. ► High correlation between estimated solar potential and onsite measurements. -- Abstract: The roof surfaces within urban areas are constantly attracting interest regarding the installation of photovoltaic systems. These systems can improve self-sufficiency of electricity supply, and can help to decrease the emissions of greenhouse gases throughout urban areas. Unfortunately, some roof surfaces are unsuitable for installing photovoltaic systems. This presented work deals with the rating of roof surfaces within urban areas regarding their solar potential and suitability for the installation of photovoltaic systems. The solar potential of a roof’s surface is determined by a new method that combines extracted urban topography from LiDAR data with the pyranometer measurements of global and diffuse solar irradiances. Heuristic annual vegetation shadowing and a multi-resolution shadowing model, complete the proposed method. The significance of different influential factors (e.g. shadowing) was analysed extensively. A comparison between the results obtained by the proposed method and measurements performed on an actual PV power plant showed a correlation agreement of 97.4%.

On the influence of the intermolecular potential on the wetting properties of water on silica surfaces

Science.gov (United States)

Pafong, E.; Geske, J.; Drossel, B.

2016-09-01

We study the wetting properties of water on silica surfaces using molecular dynamics (MD) simulations. To describe the intermolecular interaction between water and silica atoms, two types of interaction potential models are used: the standard BródkA and Zerda (BZ) model and the Gulmen and Thompson (GT) model. We perform an in-depth analysis of the influence of the choice of the potential on the arrangement of the water molecules in partially filled pores and on top of silica slabs. We find that at moderate pore filling ratios, the GT silica surface is completely wetted by water molecules, which agrees well with experimental findings, while the commonly used BZ surface is less hydrophilic and is only partially wetted. We interpret our simulation results using an analytical calculation of the phase diagram of water in partially filled pores. Moreover, an evaluation of the contact angle of the water droplet on top of the silica slab reveals that the interaction becomes more hydrophilic with increasing slab thickness and saturates around 2.5-3 nm, in agreement with the experimentally found value. Our analysis also shows that the hydroaffinity of the surface is mainly determined by the electrostatic interaction, but the van der Waals interaction nevertheless is strong enough that it can turn a hydrophobic surface into a hydrophilic surface.

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

Science.gov (United States)

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

2017-10-01

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

Optoelectronic Performance Variations in InGaN/GaN Multiple-Quantum-Well Light-Emitting Diodes: Effects of Potential Fluctuation.

Science.gov (United States)

Islam, Abu Bashar Mohammad Hamidul; Shim, Jong-In; Shin, Dong-Soo

2018-05-07

We investigate the cause of the optoelectronic performance variations in InGaN/GaN multiple-quantum-well blue light-emitting diodes, using three different samples from an identical wafer grown on a c -plane sapphire substrate. Various macroscopic measurements have been conducted, revealing that with increasing strain in the quantum wells (QWs), the crystal quality improves with an increasing peak internal quantum efficiency while the droop becomes more severe. We propose to explain these variations using a model where the in-plane local potential fluctuation in QWs is considered. Our work is contrasted with prior works in that macroscopic measurements are utilized to find clues on the microscopic changes and their impacts on the device performances, which has been rarely attempted.

Electrical potential-assisted DNA hybridization. How to mitigate electrostatics for surface DNA hybridization.

Science.gov (United States)

Tymoczko, Jakub; Schuhmann, Wolfgang; Gebala, Magdalena

2014-12-24

Surface-confined DNA hybridization reactions are sensitive to the number and identity of DNA capture probes and experimental conditions such as the nature and the ionic strength of the electrolyte solution. When the surface probe density is high or the concentration of bulk ions is much lower than the concentration of ions within the DNA layer, hybridization is significantly slowed down or does not proceed at all. However, high-density DNA monolayers are attractive for designing high-sensitivity DNA sensors. Thus, circumventing sluggish DNA hybridization on such interfaces allows a high surface concentration of target DNA and improved signal/noise ratio. We present potential-assisted hybridization as a strategy in which an external voltage is applied to the ssDNA-modified interface during the hybridization process. Results show that a significant enhancement of hybridization can be achieved using this approach.

Refined potentials for rare gas atom adsorption on rare gas and alkali-halide surfaces

Science.gov (United States)

Wilson, J. W.; Heinbockel, J. H.; Outlaw, R. A.

1985-01-01

The utilization of models of interatomic potential for physical interaction to estimate the long range attractive potential for rare gases and ions is discussed. The long range attractive force is calculated in terms of the atomic dispersion properties. A data base of atomic dispersion parameters for rare gas atoms, alkali ion, and halogen ions is applied to the study of the repulsive core; the procedure for evaluating the repulsive core of ion interactions is described. The interaction of rare gas atoms on ideal rare gas solid and alkali-halide surfaces is analyzed; zero coverage absorption potentials are derived.

Surface ozone concentrations in Europe: Links with the regional-scale atmospheric circulation

Science.gov (United States)

Davies, T. D.; Kelly, P. M.; Low, P. S.; Pierce, C. E.

1992-06-01

Daily surface ozone observations from 1978 (1976 for some analyses) to 1988 for Bottesford (United Kingdom), Cabauw, Kloosterburen (The Netherlands), Hohenpeissenberg, Neuglobsow, Hamburg, and Arkona (Germany) are used to analyze links between surface ozone variations and the atmospheric circulation. A daily Europe-wide synoptic classification highlights marked differences between surface ozone/meteorology relationships in summer and winter. These relationships are characterized by correlations between daily surface ozone concentrations at each station and a local subregional surface pressure gradient (a wind speed index). Although there are geographical variations, which are explicable in terms of regional climatology, there are distinct annual cycles. In summer, the surface ozone/wind speed relationship exhibits the expected negative sign; however, in winter, the relationship is, in the main, strongly positive, especially at those stations which are more influenced by the vigorous westerlies. Spring and autumn exhibit negative, positive, or transitional (between summer and winter) behavior, depending on geographical position. It is suggested that these relationships reflect the importance of vertical exchange from the free troposphere to the surface in the nonsummer months. Composite surface pressure patterns and surface pressure anomaly (from the long-term mean) patterns associated with high surface ozone concentrations on daily and seasonal time scales are consistent with the surface ozone/wind speed relationships. Moreover, they demonstrate that high surface ozone concentrations, in a climatological time frame, can be associated with mean surface pressure patterns which have a synoptic reality and are robust. Such an approach may be useful in interpreting past variations in surface ozone and may help to isolate the effect of human activity. It is also possible that assessments can be made of the effect of projected future changes in the atmospheric circulation

Optimized Hypernetted-Chain Solutions for Helium -4 Surfaces and Metal Surfaces

Science.gov (United States)

Qian, Guo-Xin

This thesis is a study of inhomogeneous Bose systems such as liquid ('4)He slabs and inhomogeneous Fermi systems such as the electron gas in metal films, at zero temperature. Using a Jastrow-type many-body wavefunction, the ground state energy is expressed by means of Bogoliubov-Born-Green-Kirkwood -Yvon and Hypernetted-Chain techniques. For Bose systems, Euler-Lagrange equations are derived for the one- and two -body functions and systematic approximation methods are physically motivated. It is shown that the optimized variational method includes a self-consistent summation of ladder- and ring-diagrams of conventional many-body theory. For Fermi systems, a linear potential model is adopted to generate the optimized Hartree-Fock basis. Euler-Lagrange equations are derived for the two-body correlations which serve to screen the strong bare Coulomb interaction. The optimization of the pair correlation leads to an expression of correlation energy in which the state averaged RPA part is separated. Numerical applications are presented for the density profile and pair distribution function for both ('4)He surfaces and metal surfaces. Both the bulk and surface energies are calculated in good agreement with experiments.

Mapping the environmental risk potential on surface water of pesticide contamination in the Prosecco's vineyard terraced landscape

Science.gov (United States)

Pizarro, Patricia; Ferrarese, Francesco; Loddo, Donato; Eugenio Pappalardo, Salvatore; Varotto, Mauro

2016-04-01

Intensive cropping systems today represent a paramount issue in terms of environmental impacts, since agricultural pollutants can constitute a potential threat to surface water, non-target organisms and aquatic ecosystems. Levels of pesticide concentrations in surface waters are indeed unquestionably correlated to crop and soil management practices at field-scale. Due to the numerous applications of pesticides required, orchards and vineyards can represent relevant non-point sources for pesticide contamination of water bodies, mainly prompted by soil erosion, surface runoff and spray drift. To reduce risks of pesticide contamination of surface water, the Directive 2009/128/CET imposed the local implementation of agricultural good practices and mitigation actions such as the use of vegetative buffer filter strips and hedgerows along river and pond banks. However, implementation of mitigation actions is often difficult, especially in extremely fragmented agricultural landscapes characterized by a complex territorial matrix set up on urban sprawling, frequent surface water bodies, important geomorphological processes and protected natural areas. Typically, such landscape matrix is well represented by the, Prosecco-DOCG vineyards area (NE of Italy, Province of Treviso) which lays on hogback hills of conglomerate, marls and sandstone that ranges between 50 and 500 m asl. Moreover such vineyards landscape is characterized by traditional and non-traditional agricultural terraces The general aim of this paper is to identify areas of surface water bodies with high potential risk of pesticide contamination from surrounding vineyards in the 735 ha of Lierza river basin (Refrontolo, TV), one of the most representative terraced landscape of the Prosecco-DOCG area. Specific aims are i) mapping terraced Prosecco-DOCG vineyards, ii) classifying potential risk from pesticide of the different areas. Remote sensing technologies such as four bands aerial photos (RGB+NIR) and Light

The Morphology, Dynamics and Potential Hotspots of Land Surface Temperature at a Local Scale in Urban Areas

Directory of Open Access Journals (Sweden)

Jiong Wang

2015-12-01

Full Text Available Current characterization of the Urban Heat Island (UHI remains insufficient to support the effective mitigation and adaptation of increasing temperatures in urban areas. Planning and design strategies are restricted to the investigation of temperature anomalies at a city scale. By focusing on Land Surface Temperature of Wuhan, China, this research examines the temperature variations locally where mitigation and adaptation would be more feasible. It shows how local temperature anomalies can be identified morphologically. Technically, the MODerate-resolution Imaging Spectroradiometer satellite image products are used. They are first considered as noisy observations of the latent temperature patterns. The continuous latent patterns of the temperature are then recovered from these discrete observations by using the non-parametric Multi-Task Gaussian Process Modeling. The Multi-Scale Shape Index is then applied in the area of focus to extract the local morphological features. A triplet of shape, curvedness and temperature is formed as the criteria to extract local heat islands. The behavior of the local heat islands can thus be quantified morphologically. The places with critical deformations are identified as hotpots. The hotspots with certain yearly behavior are further associated with land surface composition to determine effective mitigation and adaptation strategies. This research can assist in the temperature and planning field on two levels: (1 the local land surface temperature patterns are characterized by decomposing the variations into fundamental deformation modes to allow a process-based understanding of the dynamics; and (2 the characterization at local scale conforms to planning and design conventions where mitigation and adaptation strategies are supposed to be more practical. The weaknesses and limitations of the study are addressed in the closing section.

Estimating River Surface Elevation From ArcticDEM

Science.gov (United States)

Dai, Chunli; Durand, Michael; Howat, Ian M.; Altenau, Elizabeth H.; Pavelsky, Tamlin M.

2018-04-01

ArcticDEM is a collection of 2-m resolution, repeat digital surface models created from stereoscopic satellite imagery. To demonstrate the potential of ArcticDEM for measuring river stages and discharges, we estimate river surface heights along a reach of Tanana River near Fairbanks, Alaska, by the precise detection of river shorelines and mapping of shorelines to land surface elevation. The river height profiles over a 15-km reach agree with in situ measurements to a standard deviation less than 30 cm. The time series of ArcticDEM-derived river heights agree with the U.S. Geological Survey gage measurements with a standard deviation of 32 cm. Using the rating curve for that gage, we obtain discharges with a validation accuracy (root-mean-square error) of 234 m3/s (23% of the mean discharge). Our results demonstrate that ArcticDEM can accurately measure spatial and temporal variations of river surfaces, providing a new and powerful data set for hydrologic analysis.

Dipyridamole Body Surface Potential Mapping: Noninvasive Differentiation of Syndrome X from Coronary Artery Disease

Czech Academy of Sciences Publication Activity Database

Boudík, F.; Anger, Z.; Aschermann, M.; Vojáček, J.; Tomečková, Marie

2002-01-01

Roč. 35, č. 3 (2002), s. 181-191 ISSN 0022-0736 R&D Projects: GA MZd IZ4038 Keywords : body surface potential mapping * dipyridamole * coronary artery disease * syndrome X Subject RIV: BD - Theory of Information Impact factor: 0.599, year: 2002

The effect of surface-bulk potential difference on the kinetics of intercalation in core-shell active cathode particles

Science.gov (United States)

Kazemiabnavi, Saeed; Malik, Rahul; Orvananos, Bernardo; Abdellahi, Aziz; Ceder, Gerbrand; Thornton, Katsuyo

2018-04-01

Surface modification of active cathode particles is commonly observed in battery research as either a surface phase evolving during the cycling process, or intentionally engineered to improve capacity retention, rate capability, and/or thermal stability of the cathode material. Here, a continuum-scale model is developed to simulate the galvanostatic charge/discharge of a cathode particle with core-shell heterostructure. The particle is assumed to be comprised of a core material encapsulated by a thin layer of a second phase that has a different open-circuit voltage. The effect of the potential difference between the surface and bulk phases (Ω) on the kinetics of lithium intercalation and the galvanostatic charge/discharge profiles is studied at different values of Ω, C-rates, and exchange current densities. The difference between the Li chemical potential in the surface and bulk phases of the cathode particle results in a concentration difference between these two phases. This leads to a charge/discharge asymmetry in the galvanostatic voltage profiles, causing a decrease in the accessible capacity of the particle. These effects are more significant at higher magnitudes of surface-bulk potential difference. The proposed model provides detailed insight into the kinetics and voltage behavior of the intercalation/de-intercalation processes in core-shell heterostructure cathode particles.

Variation on wettability of anodic zirconium oxide nanotube surface

International Nuclear Information System (INIS)

Wang, Lu-Ning; Shen, Chen; Shinbine, Alyssa; Luo, Jing-Li

2013-01-01

The present study reports the effect of fabrication conditions and environmental conditions, such as anodization voltage and aging period, on the wetting of zirconium dioxide nanotube (ZrNT) surfaces. Comparing with intact zirconium foil, which was inherently less hydrophilic, possessing an approximate contact angle of 60–70°, the as-formed ZrNT surfaces were much hydrophilic with an approximate contact angle of 18°. However, the hydrophilicity of the surfaces exhibited a decrease when the nanotubular opening diameters decreased while maintaining the nanotubular layer thickness. This phenomenon was attributed to the balance of capillary force and force generated by compressed air in the ZrNTs. The annealing treatment further increased the hydrophilic property of the ZrNTs. In addition, it was found that the wettability of ZrNTs, when aged in air over a period of 105 days, demonstrated a decrease in hydrophilic characteristics and exhibited, to some extent, an increase in hydrophobic characteristics. It was believed that the surface wettability was able to be changed due to the decreasing content of hydroxyl groups in ambient atmosphere. This work can provide guidelines for improving the structural and environmental conditions responsible for changing surface wettability of ZrNT surfaces for biomedical application. - Highlights: ► Wettability of zirconium oxide nanotubes (ZrNTs) was observed and characterized. ► Increasing of nanotubular diameter decreased the hydrophilicity of ZrNTs. ► Annealing processes enhanced the hydrophilicity of ZrNTs. ► Long term aging resulted in the hydrophobicity of ZrNTs

Coupled penetrometer, MBES and ADCP assessments of tidal variations of the surface sediment layer along active subaqueous dunes, Danish Wadden Sea

DEFF Research Database (Denmark)

Stark, Nina; Hanff, Henrik; Svenson, Christian

2011-01-01

In-situ geotechnical measurements of surface sediments were carried out along large subaqueous dunes in the Knudedyb tidal inlet channel in the DanishWadden Sea using a small free-falling penetrometer. Vertical profiles showed a typical stratification pattern with a resolution of ~1 cm depicting...... a thin surface layer of low sediment strength and a stiffer substratum below (quasi-static bearing capacity equivalent: 1–3 kPa in the top layer, 20–140 kPa in the underlying sediment; thickness of the top layer ca. 5–8 cm). Observed variations in the thickness and strength of the surface layer during...... a tidal cycle were compared to mean current velocities (measured using an acoustic Doppler current profiler, ADCP), high-resolution bathymetry (based on multibeam echo sounding, MBES) and qualitative estimates of suspended sediment distributions in the water column (estimated from ADCP backscatter...

Prediction of Tetraoxygen Reaction Mechanism with Sulfur Atom on the Singlet Potential Energy Surface

Directory of Open Access Journals (Sweden)

Ashraf Khademzadeh

2014-01-01

Full Text Available The mechanism of S+O4 (D2h reaction has been investigated at the B3LYP/6-311+G(3df and CCSD levels on the singlet potential energy surface. One stable complex has been found for the S+O4 (D2h reaction, IN1, on the singlet potential energy surface. For the title reaction, we obtained four kinds of products at the B3LYP level, which have enough thermodynamic stability. The results reveal that the product P3 is spontaneous and exothermic with −188.042 and −179.147 kcal/mol in Gibbs free energy and enthalpy of reaction, respectively. Because P1 adduct is produced after passing two low energy level transition states, kinetically, it is the most favorable adduct in the 1S+1O4 (D2h atmospheric reactions.

Potential Environmental Factors Affecting Oil-Degrading Bacterial Populations in Deep and Surface Waters of the Northern Gulf of Mexico.

Science.gov (United States)

Liu, Jiqing; Bacosa, Hernando P; Liu, Zhanfei

2016-01-01

Understanding bacterial community dynamics as a result of an oil spill is important for predicting the fate of oil released to the environment and developing bioremediation strategies in the Gulf of Mexico. In this study, we aimed to elucidate the roles of temperature, water chemistry (nutrients), and initial bacterial community in selecting oil degraders through a series of incubation experiments. Surface (2 m) and bottom (1537 m) waters, collected near the Deepwater Horizon site, were amended with 200 ppm light Louisiana sweet crude oil and bacterial inoculums from surface or bottom water, and incubated at 4 or 24°C for 50 days. Bacterial community and residual oil were analyzed by pyrosequencing and gas chromatography-mass spectrometry (GC-MS), respectively. The results showed that temperature played a key role in selecting oil-degrading bacteria. Incubation at 4°C favored the development of Cycloclasticus, Pseudoalteromonas , Sulfitobacter , and Reinekea , while 24°C incubations enhanced Oleibacter, Thalassobius, Phaeobacter, and Roseobacter. Water chemistry and the initial community also had potential roles in the development of hydrocarbon-degrading bacterial communities. Pseudoalteromonas , Oleibacter , and Winogradskyella developed well in the nutrient-enriched bottom water, while Reinekea and Thalassobius were favored by low-nutrient surface water. We revealed that the combination of 4°C, crude oil and bottom inoculum was a key factor for the growth of Cycloclasticus , while the combination of surface inoculum and bottom water chemistry was important for the growth of Pseudoalteromonas . Moreover, regardless of the source of inoculum, bottom water at 24°C was a favorable condition for Oleibacter. Redundancy analysis further showed that temperature and initial community explained 57 and 19% of the variation observed, while oil and water chemistry contributed 14 and 10%, respectively. Overall, this study revealed the relative roles of temperature, water

Computed Potential Energy Surfaces and Minimum Energy Pathway for Chemical Reactions

Science.gov (United States)

Walch, Stephen P.; Langhoff, S. R. (Technical Monitor)