WorldWideScience

Sample records for surface energy evaluation

  1. Evaluation of Satellite-Based Surface Energy Budget Products with Surface Measurements Over the Great Lakes

    Science.gov (United States)

    Wang, H.; Loeb, N. G.; Lenters, J. D.; Spence, C.; Blanken, P.

    2017-12-01

    Earth's climate is fundamentally driven by the global energy balance. While Earth's energy budget at the top-of-atmosphere (TOA) is well understood, satellite-based estimates of the global mean surface energy budget yield an imbalance of 15-20 Wm-2. The data products used to infer the components of the surface energy budget are often based upon physical or empirical models and ancillary input data sets of varying quality. In order to make progress, comparisons between satellite-based estimates of the surface energy budget components and direct surface measurements are critically needed. This study evaluates surface radiative fluxes from NASA CERES EBAF and surface turbulent heat fluxes from OAFLUX by comparing them with surface station measurements from the Great Lakes Evaporation Network (GLEN). The GLEN measurements are collected using instruments on lighthouses in the Great Lakes, and include surface evaporation measurement via eddy covariance technique. The evaluation is performed for 3 offshore and 1 nearshore Great Lakes sites. We highlight results for Stannard Rock in Lake Superior, which is the farthest lighthouse from shore ( 40km from the nearest land). Relative to the GLEN observations, the OAFLUX underestimates latent heat flux by 12 Wm-2 (19 Wm-2) at Stannard Rock (4-station average), in part due to its weaker near surface wind speed, and overestimates sensible heat flux by 12 Wm-2 (6 Wm-2), which is partly contributed by its colder surface air temperature. The CERES EBAF-Surface overestimates the surface downward all-sky shortwave (longwave) flux by 8 Wm-2 (7 Wm-2) at Stannard Rock, and is comparable to the 4-station average. As a result, the surface estimated using EBAF-Surface and OAFLUX receives 16 Wm-2 (13 Wm-2) more than the GLEN observations at Stannard Rock (4-station average). The above surface energy flux differences will be further discussed based on a comparison between the input data sets used in the satellite-based estimates and

  2. Evaluation of the surface free energy of plant surfaces: toward standardizing the procedure.

    Science.gov (United States)

    Fernández, Victoria; Khayet, Mohamed

    2015-01-01

    Plant surfaces have been found to have a major chemical and physical heterogeneity and play a key protecting role against multiple stress factors. During the last decade, there is a raising interest in examining plant surface properties for the development of biomimetic materials. Contact angle measurement of different liquids is a common tool for characterizing synthetic materials, which is just beginning to be applied to plant surfaces. However, some studies performed with polymers and other materials showed that for the same surface, different surface free energy values may be obtained depending on the number and nature of the test liquids analyzed, materials' properties, and surface free energy calculation methods employed. For 3 rough and 3 rather smooth plant materials, we calculated their surface free energy using 2 or 3 test liquids and 3 different calculation methods. Regardless of the degree of surface roughness, the methods based on 2 test liquids often led to the under- or over-estimation of surface free energies as compared to the results derived from the 3-Liquids method. Given the major chemical and structural diversity of plant surfaces, it is concluded that 3 different liquids must be considered for characterizing materials of unknown physico-chemical properties, which may significantly differ in terms of polar and dispersive interactions. Since there are just few surface free energy data of plant surfaces with the aim of standardizing the calculation procedure and interpretation of the results among for instance, different species, organs, or phenological states, we suggest the use of 3 liquids and the mean surface tension values provided in this study.

  3. Evaluation of satellite and reanalysis-based global net surface energy flux and uncertainty estimates

    Science.gov (United States)

    Allan, Richard; Liu, Chunlei

    2017-04-01

    The net surface energy flux is central to the climate system yet observational limitations lead to substantial uncertainty (Trenberth and Fasullo, 2013; Roberts et al., 2016). A combination of satellite-derived radiative fluxes at the top of atmosphere (TOA) adjusted using the latest estimation of the net heat uptake of the Earth system, and the atmospheric energy tendencies and transports from the ERA-Interim reanalysis are used to estimate surface energy flux globally (Liu et al., 2015). Land surface fluxes are adjusted through a simple energy balance approach using relations at each grid point with the consideration of snowmelt to improve regional realism. The energy adjustment is redistributed over the oceans using a weighting function to avoid meridional discontinuities. Uncertainties in surface fluxes are investigated using a variety of approaches including comparison with a range of atmospheric reanalysis input data and products. Zonal multiannual mean surface flux uncertainty is estimated to be less than 5 Wm-2 but much larger uncertainty is likely for regional monthly values. The meridional energy transport is calculated using the net surface heat fluxes estimated in this study and the result shows better agreement with observations in Atlantic than before. The derived turbulent fluxes (difference between the net heat flux and the CERES EBAF radiative flux at surface) also have good agreement with those from OAFLUX dataset and buoy observations. Decadal changes in the global energy budget and the hemisphere energy imbalances are quantified and present day cross-equator heat transports is re-evaluated as 0.22±0.15 PW southward by the atmosphere and 0.32±0.16 PW northward by the ocean considering the observed ocean heat sinks (Roemmich et al., 2006) . Liu et al. (2015) Combining satellite observations and reanalysis energy transports to estimate global net surface energy fluxes 1985-2012. J. Geophys. Res., Atmospheres. ISSN 2169-8996 doi: 10.1002/2015JD

  4. An integrated evaluation of land surface energy fluxes over China in seven reanalysis/modeling products

    Science.gov (United States)

    Li, Hongyu; Fu, Congbin; Guo, Weidong

    2017-08-01

    An integrated evaluation of monthly mean land surface energy fluxes over China in seven reanalysis and land model products during the period 1979-2015 is conducted. Observations from seven field sites are used to evaluate these flux products, including four reanalysis data sets and three produced by off-line land surface models. In general, the expected seasonal variations and spatial patterns in major climatic regimes are well reproduced by all reanalysis and modeling products. However, large differences among the four reanalysis products are found, while the three off-line land surface modeling products correlate well with each other. Looking at the Bowen ratio, it is found that the off-line land surface models convert a larger fraction of surface available energy into sensible heat flux compared to the reanalysis products in all climatic regimes. There are three centers of high interannual variability in sensible heat located in West China, Northeast China, and the eastern Inner Mongolia, respectively. In addition, the sensible heat flux agrees better with observations at grassland sites than at forest sites, while the latent heat flux and net radiation are significantly overestimated at forest sites in all the flux products. Besides, mean square errors of the fluxes are decomposed into biases, correlations, and differences in standard deviation. Finally, based on a ranking system adopted to quantitatively evaluate the performance of each data set, it is found that the surface energy fluxes in ERA-Interim and JRA-25 agree well with observations and the ensemble mean of all these products remains reasonably realistic as well.

  5. Adhesion Evaluation of Asphalt-Aggregate Interface Using Surface Free Energy Method

    Directory of Open Access Journals (Sweden)

    Jie Ji

    2017-02-01

    Full Text Available The influence of organic additives (Sasobit and RH and water on the adhesion of the asphalt-aggregate interface was studied according to the surface free energy theory. Two asphalt binders (SK-70 and SK-90, and two aggregate types (limestone and basalt were used in this study. The sessile drop method was employed to test surface free energy components of asphalt, organic additives and aggregates. The adhesion models of the asphalt-aggregate interface in dry and wet conditions were established, and the adhesion work was calculated subsequently. The energy ratios were built to evaluate the effect of organic additives and water on the adhesiveness of the asphalt-aggregate interface. The results indicate that the addition of organic additives can enhance the adhesion of the asphalt-aggregate interface in dry conditions, because organic additives reduced the surface free energy of asphalt. However, the organic additives have hydrophobic characteristics and are sensitive to water. As a result, the adhesiveness of the asphalt-aggregate interface of the asphalt containing organic additives in wet conditions sharply decreased due to water damage to asphalt and organic additives. Furthermore, the compatibility of asphalt, aggregate with organic additive was noted and discussed.

  6. U.S. Navy Surface Ship Fleet: Propulsion Energy Evaluation, and Identification of Cost Effective Energy Enhancement Devices

    National Research Council Canada - National Science Library

    Cusanelli, Dominic S; Karafiath, Gabor

    2006-01-01

    .... Navy surface ship fleet was prepared. This information was used to identify eleven U.S. Navy surface ship classes as candidates for consideration with regard to retrofit of energy enhancement devices...

  7. SCANNING ELECTRON-MICROSCOPIC EVALUATION OF THE FRACTURED SURFACES OF CANINE CALCULI FROM SUBSTRATA WITH DIFFERENT SURFACE FREE-ENERGY

    NARCIS (Netherlands)

    UYEN, HMW; JONGEBLOED, WL; BUSSCHER, HJ

    1991-01-01

    The strength of adhesion between dental calculus and enamel or dentin surfaces determines the ease with which the calculus can be removed by brushing or professional dental treatment. In this study, we examined the adhesion of canine calculi formed on substrata with different surface free energies

  8. Evaluating the JULES Land Surface Model Energy Fluxes Using FLUXNET Data

    NARCIS (Netherlands)

    Blyth, E.; Gash, J.H.C.; Lloyd, A.J.; Pryor, M.; Weedon, G.P.; Shuttleworth, J.

    2010-01-01

    Surface energy flux measurements from a sample of 10 flux network (FLUXNET) sites selected to represent a range of climate conditions and biome types were used to assess the performance of the Hadley Centre land surface model (Joint U. K. Land Environment Simulator; JULES). Because FLUXNET data are

  9. Evaluating Cool Impervious Surfaces: Application to an Energy-Efficient Residential Roof and to City Pavements

    Science.gov (United States)

    Rosado, Pablo Javier

    Summer urban heat island (UHI) refers to the phenomenon of having higher urban temperatures compared to the those in surrounding suburban and rural areas. Higher urban air temperatures lead to increased cooling demand, accelerates the formation of smog, and contributes to the generation of greenhouse gas emissions. Dark-colored impervious surfaces cover a significant fraction of an urban fabric, and as hot and dry surfaces, are a major contributor to the UHI effect. Adopting solar-reflective ("cool") roofs and cool pavements, and increasing the urban vegetation, are strategies proven to mitigate urban heat islands. These strategies often have an "indirect" effect (ambient cooling) and "direct" effect (change in solar energy flux entering the conditioned space) on the energy use of buildings. This work investigates some elements of the UHI mitigation strategies, specifically the annual direct effect of a cool roof, and the direct and indirect effects of cool pavements. The first topic researched in this paper consists in an experimental assessment of the direct effects from replacing a conventional dark roof with a highly energy-efficient cool roof. The study measures and calculates the annual benefits of the cool roof on the cooling and heating energy uses, and the associated emission reductions. The energy savings attributed to the cool roof are validated by measuring the difference between the homes in the heat loads that entered the conditioned space through the ceiling and HVAC ducts. Fractional annual cooling energy savings (26%) were 2.6 times the 10% daily cooling energy savings measured in a previous study that used a white coating to increase the albedo of an asphalt shingle roof by the same amount (0.44). The improved cooling energy savings (26% vs. 10%) may be attributed to the cool tile's above-sheathing ventilation, rather than to its high thermal mass. The roof also provided energy savings during the heating season, yielding fractional annual gas

  10. Validation of a Novel Technique and Evaluation of the Surface Free Energy of Food.

    Science.gov (United States)

    Senturk Parreidt, Tugce; Schmid, Markus; Hauser, Carolin

    2017-04-20

    Characterizing the physical properties of a surface is largely dependent on determining the contact angle exhibited by a liquid. Contact angles on the surfaces of rough and irregularly-shaped food samples are difficult to measure using a contact angle meter (goniometer). As a consequence, values for the surface energy and its components can be mismeasured. The aim of this work was to use a novel contact angle measurement method, namely the snake-based ImageJ program, to accurately measure the contact angles of rough and irregular shapes, such as food samples, and so enable more accurate calculation of the surface energy of food materials. In order to validate the novel technique, the contact angles of three different test liquids on four different smooth polymer films were measured using both the ImageJ software with the DropSnake plugin and the widely used contact angle meter. The distributions of the values obtained by the two methods were different. Therefore, the contact angles, surface energies, and polar and dispersive components of plastic films obtained using the ImageJ program and the Drop Shape Analyzer (DSA) were interpreted with the help of simple linear regression analysis. As case studies, the superficial characteristics of strawberry and endive salad epicarp were measured with the ImageJ program and the results were interpreted with the Drop Shape Analyzer equivalent according to our regression models. The data indicated that the ImageJ program can be successfully used for contact angle determination of rough and strongly hydrophobic surfaces, such as strawberry epicarp. However, for the special geometry of droplets on slightly hydrophobic surfaces, such as salad leaves, the program code interpolation part can be altered.

  11. Energy evaluation

    International Nuclear Information System (INIS)

    Anon.

    2005-01-01

    These 8 charts bring information on with the primary energy consumption, energy indicators, energy bill, prices and electric power, petroleum, natural gas and solid mineral fuels from January 2003 to January 2006. (A.L.B.)

  12. Evaluation of fitting functions for the representation of an O(3P)+H2 potential energy surface. I

    International Nuclear Information System (INIS)

    Wagner, A.F.; Schatz, G.C.; Bowman, J.M.

    1981-01-01

    The DIM surface of Whitlock, Muckerman, and Fisher for the O( 3 P)+H 2 system is used as a test case to evaluate the usefulness of a variety of fitting functions for the representation of potential energy surfaces. Fitting functions based on LEPS, BEBO, and rotated Morse oscillator (RMO) forms are examined. Fitting procedures are developed for combining information about a small portion of the surface and the fitting function to predict where on the surface more information must be obtained to improve the accuracy of the fit. Both unbiased procedures and procedures heavily biased toward the saddle point region of the surface are investigated. Collinear quasiclassical trajectory calculations of the reaction rate constant and one and three dimensional transition state theory rate constant calculations are performed and compared for selected fits and the exact DIM test surface. Fitting functions based on BEBO and RMO forms are found to give quite accurate results

  13. Evaluation of bulk and surfaces absorption edge energy of sol-gel-dip-coating SnO2 thin films

    Directory of Open Access Journals (Sweden)

    Emerson Aparecido Floriano

    2010-12-01

    Full Text Available The absorption edge and the bandgap transition of sol-gel-dip-coating SnO2 thin films, deposited on quartz substrates, are evaluated from optical absorption data and temperature dependent photoconductivity spectra. Structural properties of these films help the interpretation of bandgap transition nature, since the obtained nanosized dimensions of crystallites are determinant on dominant growth direction and, thus, absorption energy. Electronic properties of the bulk and (110 and (101 surfaces are also presented, calculated by means of density functional theory applied to periodic calculations at B3LYP hybrid functional level. Experimentally obtained absorption edge is compared to the calculated energy band diagrams of bulk and (110 and (101 surfaces. The overall calculated electronic properties in conjunction with structural and electro-optical experimental data suggest that the nature of the bandgap transition is related to a combined effect of bulk and (101 surface, which presents direct bandgap transition.

  14. Evaluation of one-dimensional potential energy surfaces for prediction of spectroscopic properties of hydrogen bonds in linear bonded complexes.

    Science.gov (United States)

    Jouypazadeh, Hamidreza; Farrokhpour, Hossein; Solimannejad, Mohammad

    2017-05-01

    This work evaluated the reliability of the one-dimensional potential energy surface for calculating the spectroscopic properties (rovibrational constants and rotational line energies) of hydrogen bonds in linear bonded complexes by comparing theoretical results with the corresponding experimental results. For this purpose, two hydrogen bonded complexes were selected: the HCN···HCN homodimer and the HCN···HF heterodimer. The one-dimensional potential energy surfaces related to the hydrogen bonds in these complexes were calculated using different computational methods and basis sets. The calculated potential curve of each complex was fitted to an analytical one-dimensional potential function to obtain the potential parameters. The obtained analytical potential function of each complex was used in a two-particle Schrödinger equation to obtain the rovibrational energy levels of the hydrogen bond. Using the calculated rovibrational levels, the rovibrational spectra and constants of each complex were calculated and compared with experimental data available from the literature. Compared with experimental data, the calculated one-dimensional potential energy surface at the QCISD/aug-cc-pVDZ level of theory was found to predict the spectroscopic properties of hydrogen bonds better than the potential curves obtained using other computational methods, especially for the HCN···HCN homodimer complex. Generally, the results obtained for the HCN···HCN homodimer complex were closer to experimental data than those obtained for the HCN···HF heterodimer complex. The investigation performed in this work showed that the one-dimensional potential curve related to the hydrogen bond between two linear molecules can be used to predict the spectroscopic constants of hydrogen bonds. Graphical abstract Potential energy curves of HCN···HCN and HCN···HF complexes calculated at the different computational levels.

  15. Tenskinmetric Evaluation of Surface Energy Changes in Adult Skin: Evidence from 834 Normal Subjects Monitored in Controlled Conditions

    Directory of Open Access Journals (Sweden)

    Camilla Dal Bosco

    2014-03-01

    Full Text Available To evaluate the influence of the skin aging critical level on the adult skin epidermal functional state, an improved analytical method based on the skin surface energetic measurement (TVS modeling was developed. Tenskinmetric measurements were carried out non-invasively in controlled conditions by contact angle method using only a water-drop as reference standard liquid. Adult skin was monitored by TVS Observatory according to a specific and controlled thermal protocol (Camianta protocol in use at the interconnected “Mamma Margherita Terme spa” of Terme Euganee. From June to November 2013, the surface free energy and the epidermal hydration level of adult skin were evaluated on arrival of 265 male and 569 female adult volunteers (51–90 years of age and when they departed 2 weeks later. Sensitive measurements were carried out at 0.1 mN/m. High test compliance was obtained (93.2% of all guests. Very interesting results are obtained. The high sensitivity and discrimination power of tenskinmetry combined with a thermal Camianta protocol demonstrate the possibility to evaluate at baseline level the surface energetic changes and the skin reactivity which occurs on adult skin.

  16. Surface energy of explosive nanoparticles

    Science.gov (United States)

    Pineau, Nicolas; Bidault, Xavier; Soulard, Laurent

    2017-06-01

    Recent experimental studies show that nanostructuration has a substantial impact on the detonation of high explosives: a nanostructured one leads to smaller nanodiamonds than a microstructured one. Whether it comes from a higher surface energy or from porosity, the origin of these different behaviors must be investigated. The surface energy of TATB nanoparticles with a radius from 2 nm upto 60 nm has been determined by means of ReaxFF-based simulations. Then, using the Rankine-Hugoniot relations and the equation of states of the bulk material, the contribution of this excess energy to the heating of a shock-compressed nanostructured (and porous) material is evaluated and compared to the thermal effect due to its porosity collapse. A maximum temperature increase of 50 K is found for 4-nm nanoparticles, which remains negligible when compared to the few hundred degrees induced by the compaction work.

  17. Surface characterization of the cement for retention of implant supported dental prostheses: In vitro evaluation of cement roughness and surface free energy

    International Nuclear Information System (INIS)

    Brajkovic, Denis; Antonijevic, Djordje; Milovanovic, Petar; Kisic, Danilo; Zelic, Ksenija; Djuric, Marija; Rakocevic, Zlatko

    2014-01-01

    Graphical abstract: - Highlights: • Surface free energy and surface roughness influence bacterial adhesion. • Bacterial colonization causes periimplantitis and implant loss. • Zinc-based, glass-ionomers and resin-cements were investigated. • Glass-ionomers-cements present the lowest values of surface free energy and roughness. • Glass-ionomer-cements surface properties result with reduced bacterial adhesion. - Abstract: Background: Material surface free energy and surface roughness strongly influence the bacterial adhesion in oral cavity. The aim of this study was to analyze these two parameters in various commercial luting agents used for cementation of implant restorations. Materials and methods: Zinc-based, glass-ionomers, resin modified glass-ionomer and resin-cements were investigated. Contact angle and surface free energy were measured by contact angle analyzer using Image J software program. Materials’ average roughness and fractal dimension were calculated based on Atomic Force Microscope topography images. Results: Zinc phosphate cements presented significantly higher total surface free energy and significantly lower dispersive component of surface free energy compared to other groups, while resin-cements showed significantly lower polar component than other groups. The surface roughness and fractal dimension values were statistically the highest in the zinc phosphate cements and the lowest for the glass-ionomers cements. Conclusion: Glass-ionomers-cements presented lower values of surface free energy and surface roughness than zinc phosphate and resin cements, indicating that their surfaces are less prone to biofilm adhesion. Practical implications: Within limitations of an in vitro trial, our results indicate that glass-ionomers-cements could be the cements of choice for fixation of cement retained implant restorations due to superior surface properties compared to zinc phosphate and resin cements, which may result in reduced plaque formation

  18. Surface characterization of the cement for retention of implant supported dental prostheses: In vitro evaluation of cement roughness and surface free energy

    Energy Technology Data Exchange (ETDEWEB)

    Brajkovic, Denis [Clinic for Dentistry, Department of Maxillofacial Surgery, Faculty of Medical Sciences, University of Kragujevac, Svetozara Markovica 69, 34000 Kragujevac (Serbia); Antonijevic, Djordje; Milovanovic, Petar [Laboratory for Anthropology, Institute of Anatomy, School of Medicine, University of Belgrade, Dr. Subotica 4/2, 11000 Belgrade (Serbia); Kisic, Danilo [Laboratory for Atomic Physics, Institute of Nuclear Sciences “Vinca”, University of Belgrade, Belgrade (Serbia); Zelic, Ksenija; Djuric, Marija [Laboratory for Anthropology, Institute of Anatomy, School of Medicine, University of Belgrade, Dr. Subotica 4/2, 11000 Belgrade (Serbia); Rakocevic, Zlatko, E-mail: zlatkora@vinca.rs [Laboratory for Atomic Physics, Institute of Nuclear Sciences “Vinca”, University of Belgrade, Belgrade (Serbia)

    2014-08-30

    Graphical abstract: - Highlights: • Surface free energy and surface roughness influence bacterial adhesion. • Bacterial colonization causes periimplantitis and implant loss. • Zinc-based, glass-ionomers and resin-cements were investigated. • Glass-ionomers-cements present the lowest values of surface free energy and roughness. • Glass-ionomer-cements surface properties result with reduced bacterial adhesion. - Abstract: Background: Material surface free energy and surface roughness strongly influence the bacterial adhesion in oral cavity. The aim of this study was to analyze these two parameters in various commercial luting agents used for cementation of implant restorations. Materials and methods: Zinc-based, glass-ionomers, resin modified glass-ionomer and resin-cements were investigated. Contact angle and surface free energy were measured by contact angle analyzer using Image J software program. Materials’ average roughness and fractal dimension were calculated based on Atomic Force Microscope topography images. Results: Zinc phosphate cements presented significantly higher total surface free energy and significantly lower dispersive component of surface free energy compared to other groups, while resin-cements showed significantly lower polar component than other groups. The surface roughness and fractal dimension values were statistically the highest in the zinc phosphate cements and the lowest for the glass-ionomers cements. Conclusion: Glass-ionomers-cements presented lower values of surface free energy and surface roughness than zinc phosphate and resin cements, indicating that their surfaces are less prone to biofilm adhesion. Practical implications: Within limitations of an in vitro trial, our results indicate that glass-ionomers-cements could be the cements of choice for fixation of cement retained implant restorations due to superior surface properties compared to zinc phosphate and resin cements, which may result in reduced plaque formation

  19. Comparison and uncertainty evaluation of different calibration protocols and ionization chambers for low-energy surface brachytherapy dosimetry

    Energy Technology Data Exchange (ETDEWEB)

    Candela-Juan, C., E-mail: ccanjuan@gmail.com [Radiation Oncology Department, La Fe University and Polytechnic Hospital, Valencia 46026 (Spain); Vijande, J. [Department of Atomic, Molecular, and Nuclear Physics, University of Valencia, Burjassot 46100, Spain and Instituto de Física Corpuscular (UV-CSIC), Paterna 46980 (Spain); García-Martínez, T. [Radiation Oncology Department, Hospital La Ribera, Alzira 46600 (Spain); Niatsetski, Y.; Nauta, G.; Schuurman, J. [Elekta Brachytherapy, Veenendaal 3905 TH (Netherlands); Ouhib, Z. [Radiation Oncology Department, Lynn Regional Cancer Center, Boca Raton Community Hospital, Boca Raton, Florida 33486 (United States); Ballester, F. [Department of Atomic, Molecular, and Nuclear Physics, University of Valencia, Burjassot 46100 (Spain); Perez-Calatayud, J. [Radiation Oncology Department, La Fe University and Polytechnic Hospital, Valencia 46026, Spain and Department of Radiotherapy, Clínica Benidorm, Benidorm 03501 (Spain)

    2015-08-15

    Purpose: A surface electronic brachytherapy (EBT) device is in fact an x-ray source collimated with specific applicators. Low-energy (<100 kVp) x-ray beam dosimetry faces several challenges that need to be addressed. A number of calibration protocols have been published for x-ray beam dosimetry. The media in which measurements are performed are the fundamental difference between them. The aim of this study was to evaluate the surface dose rate of a low-energy x-ray source with small field applicators using different calibration standards and different small-volume ionization chambers, comparing the values and uncertainties of each methodology. Methods: The surface dose rate of the EBT unit Esteya (Elekta Brachytherapy, The Netherlands), a 69.5 kVp x-ray source with applicators of 10, 15, 20, 25, and 30 mm diameter, was evaluated using the AAPM TG-61 (based on air kerma) and International Atomic Energy Agency (IAEA) TRS-398 (based on absorbed dose to water) dosimetry protocols for low-energy photon beams. A plane parallel T34013 ionization chamber (PTW Freiburg, Germany) calibrated in terms of both absorbed dose to water and air kerma was used to compare the two dosimetry protocols. Another PTW chamber of the same model was used to evaluate the reproducibility between these chambers. Measurements were also performed with two different Exradin A20 (Standard Imaging, Inc., Middleton, WI) chambers calibrated in terms of air kerma. Results: Differences between surface dose rates measured in air and in water using the T34013 chamber range from 1.6% to 3.3%. No field size dependence has been observed. Differences are below 3.7% when measurements with the A20 and the T34013 chambers calibrated in air are compared. Estimated uncertainty (with coverage factor k = 1) for the T34013 chamber calibrated in water is 2.2%–2.4%, whereas it increases to 2.5% and 2.7% for the A20 and T34013 chambers calibrated in air, respectively. The output factors, measured with the PTW chambers

  20. Use of ground-based remotely sensed data for surface energy balance evaluation of a semiarid rangeland

    Science.gov (United States)

    Moran, M.S.; Kustas, William P.; Vidal, A.; Stannard, D.I.; Blanford, J.H.; Nichols, W.D.

    1994-01-01

    An interdisciplinary field experiment was conducted to study the water and energy balance of a semiarid rangeland watershed in southeast Arizona during the summer of 1990. Two subwatersheds, one grass dominated and the other shrub dominated, were selected for intensive study with ground-based remote sensing systems and hydrometeorological instrumentation. Surface energy balance was evaluated at both sites using direct and indirect measurements of the turbulent fluxes (eddy correlation, variance, and Bowen ratio methods) and using an aerodynamic approach based on remote measurements of surface reflectance and temperature and conventional meteorological information. Estimates of net radiant flux density (Rn), derived from measurements of air temperature, incoming solar radiation, and surface temperature and radiance compared well with values measured using a net radiometer (mean absolute difference (MAD) ≃ 50 W/m2 over a range from 115 to 670 W/m2). Soil heat flux density (G) was estimated using a relation between G/Rn and a spectral vegetation index computed from the red and near-infrared surface reflectance. These G estimates compared well with conventional measurements of G using buried soil heat flux plates (MAD ≃ 20 W/m2 over a range from −13 to 213 W/m2). In order to account for the effects of sparse vegetation, semiempirical adjustments to the single-layer bulk aerodynamic resistance approach were required for evaluation of sensible heat flux density (H). This yielded differences between measurements and remote estimates of H of approximately 33 W/m2 over a range from 13 to 303 W/m2. The resulting estimates of latent heat flux density, LE, were of the same magnitude and trend as measured values; however, a significant scatter was still observed: MAD ≃ 40 W/m2 over a range from 0 to 340 W/m2. Because LE was solved as a residual, there was a cumulative effect of errors associated with remote estimates of Rn, G, and H.

  1. Surface meteorology and Solar Energy

    Science.gov (United States)

    Stackhouse, Paul W. (Principal Investigator)

    The Release 5.1 Surface meteorology and Solar Energy (SSE) data contains parameters formulated for assessing and designing renewable energy systems. Parameters fall under 11 categories including: Solar cooking, solar thermal applications, solar geometry, tilted solar panels, energy storage systems, surplus product storage systems, cloud information, temperature, wind, other meteorological factors, and supporting information. This latest release contains new parameters based on recommendations by the renewable energy industry and it is more accurate than previous releases. On-line plotting capabilities allow quick evaluation of potential renewable energy projects for any region of the world. The SSE data set is formulated from NASA satellite- and reanalysis-derived insolation and meteorological data for the 10-year period July 1983 through June 1993. Results are provided for 1 degree latitude by 1 degree longitude grid cells over the globe. Average daily and monthly measurements for 1195 World Radiation Data Centre ground sites are also available. [Mission Objectives] The SSE project contains insolation and meteorology data intended to aid in the development of renewable energy systems. Collaboration between SSE and technology industries such as the Hybrid Optimization Model for Electric Renewables ( HOMER ) may aid in designing electric power systems that employ some combination of wind turbines, photovoltaic panels, or diesel generators to produce electricity. [Temporal_Coverage: Start_Date=1983-07-01; Stop_Date=1993-06-30] [Spatial_Coverage: Southernmost_Latitude=-90; Northernmost_Latitude=90; Westernmost_Longitude=-180; Easternmost_Longitude=180].

  2. Surface Meteorology and Solar Energy

    Data.gov (United States)

    National Aeronautics and Space Administration — Surface Meteorology and Solar Energy data - over 200 satellite-derived meteorology and solar energy parameters, monthly averaged from 22 years of data, global solar...

  3. The Role of Surface Energy Exchange for Simulating Wind Inflow: An Evaluation of Multiple Land Surface Models in WRF for the Southern Great Plains Site Field Campaign Report

    Energy Technology Data Exchange (ETDEWEB)

    Wharton, Sonia [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Simpson, Matthew [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Osuna, Jessica [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Newman, Jennifer [National Renewable Energy Lab. (NREL), Golden, CO (United States); Biraud, Sebastien [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

    2016-05-01

    The Weather Research and Forecasting (WRF) model is used to investigate choice of land surface model (LSM) on the near-surface wind profile, including heights reached by multi-megawatt wind turbines. Simulations of wind profiles and surface energy fluxes were made using five LSMs of varying degrees of sophistication in dealing with soil-plant-atmosphere feedbacks for the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) Climate Research Facility’s Southern Great Plains (SGP) Central Facility in Oklahoma. Surface-flux and wind-profile measurements were available for validation. The WRF model was run for three two-week periods during which varying canopy and meteorological conditions existed. The LSMs predicted a wide range of energy-flux and wind-shear magnitudes even during the cool autumn period when we expected less variability. Simulations of energy fluxes varied in accuracy by model sophistication, whereby LSMs with very simple or no soil-plant-atmosphere feedbacks were the least accurate; however, the most complex models did not consistently produce more accurate results. Errors in wind shear also were sensitive to LSM choice and were partially related to the accuracy of energy flux data. The variability of LSM performance was relatively high, suggesting that LSM representation of energy fluxes in the WRF model remains a significant source of uncertainty for simulating wind turbine inflow conditions.

  4. The surface energy of metals

    DEFF Research Database (Denmark)

    Vitos, Levente; Ruban, Andrei; Skriver, Hans Lomholt

    1998-01-01

    We have used density functional theory to establish a database of surface energies for low index surfaces of 60 metals in the periodic table. The data may be used as a consistent starting point for models of surface science phenomena. The accuracy of the database is established in a comparison...

  5. Evaluation of an atmospheric model with surface and ABL meteorological data for energy applications in structured areas

    Science.gov (United States)

    Triantafyllou, A. G.; Kalogiros, J.; Krestou, A.; Leivaditou, E.; Zoumakis, N.; Bouris, D.; Garas, S.; Konstantinidis, E.; Wang, Q.

    2018-03-01

    This paper provides the performance evaluation of the meteorological component of The Air Pollution Model (TAPM), a nestable prognostic model, in predicting meteorological variables in urban areas, for both its surface layer and atmospheric boundary layer (ABL) turbulence parameterizations. The model was modified by incorporating four urban land surface types, replacing the existing single urban surface. Control runs were carried out over the wider area of Kozani, an urban area in NW Greece. The model was evaluated for both surface and ABL meteorological variables by using measurements of near-surface and vertical profiles of wind and temperature. The data were collected by using monitoring surface stations in selected sites as well as an acoustic sounder (SOnic Detection And Ranging (SODAR), up to 300 m above ground) and a radiometer profiler (up to 600 m above ground). The results showed the model demonstrated good performance in predicting the near-surface meteorology in the Kozani region for both a winter and a summer month. In the ABL, the comparison showed that the model's forecasts generally performed well with respect to the thermal structure (temperature profiles and ABL height) but overestimated wind speed at the heights of comparison (mostly below 200 m) up to 3-4 ms-1.

  6. Evaluating five remote sensing based single-source surface energy balance models for estimating daily evapotranspiration in a humid subtropical climate

    Science.gov (United States)

    Bhattarai, Nishan; Shaw, Stephen B.; Quackenbush, Lindi J.; Im, Jungho; Niraula, Rewati

    2016-07-01

    In the last two decades, a number of single-source surface energy balance (SEB) models have been proposed for mapping evapotranspiration (ET); however, there is no clear guidance on which models are preferable under different conditions. In this paper, we tested five models-Surface Energy Balance Algorithm for Land (SEBAL), Mapping ET at high Resolution with Internalized Calibration (METRIC), Simplified Surface Energy Balance Index (S-SEBI), Surface Energy Balance System (SEBS), and operational Simplified Surface Energy Balance (SSEBop)-to identify the single-source SEB models most appropriate for use in the humid southeastern United States. ET predictions from these models were compared with measured ET at four sites (marsh, grass, and citrus surfaces) for 149 cloud-free Landsat image acquisition days between 2000 and 2010. The overall model evaluation statistics showed that SEBS generally outperformed the other models in terms of estimating daily ET from different land covers (e.g., the root mean squared error (RMSE) was 0.74 mm day-1). SSEBop was consistently the worst performing model and overestimated ET at all sites (RMSE = 1.67 mm day-1), while the other models typically fell in between SSEBop and SEBS. However, for short grass conditions, SEBAL, METRIC, and S-SEBI appear to work much better than SEBS. Overall, our study suggests that SEBS may be the best SEB model in humid regions, although it may require modifications to work better over short vegetation.

  7. Sorption Energy Maps of Clay Mineral Surfaces

    International Nuclear Information System (INIS)

    Cygan, Randall T.; Kirkpatrick, R. James

    1999-01-01

    A molecular-level understanding of mineral-water interactions is critical for the evaluation and prediction of the sorption properties of clay minerals that may be used in various chemical and radioactive waste disposal methods. Molecular models of metal sorption incorporate empirical energy force fields, based on molecular orbital calculations and spectroscopic data, that account for Coulombic, van der Waals attractive, and short-range repulsive energies. The summation of the non-bonded energy terms at equally-spaced grid points surrounding a mineral substrate provides a three dimensional potential energy grid. The energy map can be used to determine the optimal sorption sites of metal ions on the exposed surfaces of the mineral. By using this approach, we have evaluated the crystallographic and compositional control of metal sorption on the surfaces of kaolinite and illite. Estimates of the relative sorption energy and most stable sorption sites are derived based on a rigid ion approximation

  8. Evaluation of energy efficiency options in steam assisted gravity drainage oil sands surface facilities via process integration

    International Nuclear Information System (INIS)

    Carreon, Carlos E.; Mahmoudkhani, Maryam; Alva-Argaez, Alberto; Bergerson, Joule

    2015-01-01

    While new technologies are being developed for extracting unconventional oil, in the near term economic benefits and footprint reduction can be achieved by enhancing the energy efficiency of existing facilities. The objective of this work is to evaluate energy efficiency opportunities for in situ extraction of Canada's oil sands resource using pinch analysis. Modifications to an original plant design are analyzed in order to estimate utility savings beyond those obtained for the initial process configuration. The modifications explored in this paper are estimated to deliver energy savings of up to 6% beyond ‘business as usual’. This corresponds to GHG emissions reduction of approximately 5%. However, in some cases, this increase in energy savings comes at the cost of increasing demand for make-up water and volume of disposal water. Surplus generation of steam beyond heating requirements in the water treatment system leads to energy inefficiencies. Additional cost and energy savings are obtained by reducing or eliminating the use of glycol in the cooling circuit. - Highlights: • Pinch analysis performed for unconventional oil recovery process to identify inefficiencies. • Both the removal of pinch violations and process modifications lead to savings. • Effect of energy savings on water consumption for the process is considered. • Greenhouse gas emissions reduction and economic benefit are estimated for the studied cases

  9. Evaluating the influence of plant-specific physiological parameterizations on the partitioning of land surface energy fluxes

    Science.gov (United States)

    Sulis, Mauro; Langensiepen, Matthias; Shrestha, Prabhakar; Schickling, Anke; Simmer, Clemens; Kollet, Stefan

    2015-04-01

    Vegetation has a significant influence on the partitioning of radiative forcing, the spatial and temporal variability of soil water and soil temperature. Therefore plant physiological properties play a key role in mediating and amplifying interactions and feedback mechanisms in the soil-vegetation-atmosphere continuum. Because of the direct impact on latent heat fluxes, these properties may also influence weather generating processes, such as the evolution of the atmospheric boundary layer (ABL). In land surface models, plant physiological properties are usually obtained from literature synthesis by unifying several plant/crop species in predefined vegetation classes. In this work, crop-specific physiological characteristics, retrieved from detailed field measurements, are included in the bio-physical parameterization of the Community Land Model (CLM), which is a component of the Terrestrial Systems Modeling Platform (TerrSysMP). The measured set of parameters for two typical European mid-latitudinal crops (sugar beet and winter wheat) is validated using eddy covariance measurements (sensible heat and latent heat) over multiple years from three measurement sites located in the North Rhine-Westphalia region, Germany. We found clear improvements of CLM simulations, when using the crop-specific physiological characteristics of the plants instead of the generic crop type when compared to the measurements. In particular, the increase of latent heat fluxes in conjunction with decreased sensible heat fluxes as simulated by the two new crop-specific parameter sets leads to an improved quantification of the diurnal energy partitioning. These findings are cross-validated using estimates of gross primary production extracted from net ecosystem exchange measurements. This independent analysis reveals that the better agreement between observed and simulated latent heat using the plant-specific physiological properties largely stems from an improved simulation of the

  10. Evaluation of Scaling Approaches for the Oceanic Dissipation Rate of Turbulent Kinetic Energy in the Surface Ocean

    Science.gov (United States)

    Esters, L. T.; Ward, B.; Sutherland, G.; Ten Doeschate, A.; Landwehr, S.; Bell, T. G.; Christensen, K. H.

    2016-02-01

    The air-sea exchange of heat, gas and momentum plays an important role for the Earth's weather and global climate. The exchange processes between ocean and atmosphere are influenced by the prevailing surface ocean dynamics. This surface ocean is a highly turbulent region where there is enhanced production of turbulent kinetic energy (TKE). The dissipation rate of TKE (ɛ) in the surface ocean is an important process for governing the depth of both the mixing and mixed layers, which are important length-scales for many aspects of ocean research. However, there exist very limited observations of ɛ under open ocean conditions and consequently our understanding of how to model the dissipation profile is very limited. The approaches to model profiles of ɛ that exist, differ by orders of magnitude depending on their underlying theoretical assumption and included physical processes. Therefore, scaling ɛ is not straight forward and requires open ocean measurements of ɛ to validate the respective scaling laws. This validated scaling of ɛ, is for example required to produce accurate mixed layer depths in global climate models. Errors in the depth of the ocean surface boundary layer can lead to biases in sea surface temperature. Here, we present open ocean measurements of ɛ from the Air-Sea Interaction Profiler (ASIP) collected during several cruises in different ocean basins. ASIP is an autonomous upwardly rising microstructure profiler allowing undisturbed profiling up to the ocean surface. These direct measurements of ɛ under various types of atmospheric and oceanic conditions along with measurements of atmospheric fluxes and wave conditions allow us to make a unique assessment of several scaling approaches based on wind, wave and buoyancy forcing. This will allow us to best assess the most appropriate ɛ-based parameterisation for air-sea exchange.

  11. Fouling behavior of lysozyme on different membrane surfaces during the MD operation: An especial interest in the interaction energy evaluation.

    Science.gov (United States)

    Liu, Chang; Chen, Lin; Zhu, Liang

    2017-08-01

    The membrane fouling behaviors of lysozyme (LYS) on three different membranes were systematically investigated during the membrane distillation (MD) process, including polypropylene (PP), polytetrafluoroethylene (PTFE) and polyvinylidene fluoride (PVDF) membranes. The results showed that PP membrane was not suitable for the MD operation due to its lower heat resistance. A flux decline of 50% was observed for the PTFE, while PVDF displayed a more severe decrement of 70%. Additionally, the PTFE and PVDF membranes both demonstrated a faster flux decline during the early period, and then a clear decrement of fouling rate was obtained at the later period. To better understand the interactions between LYS and different membranes, the interaction energy between LYS and the reconstructed membrane surface, represented by XDLVO potential, was calculated by surface element integration. The PVDF membrane exhibited higher roughness and lower energy barrier, indicating that rougher membrane was tended to be fouled by LYS. Finally, a "four stages model" was suggested for the MD fouling process, which was associated with three LYS deposition patterns of smooth, protuberance and valley. Copyright © 2017 Elsevier Ltd. All rights reserved.

  12. Surface hardness evaluation of different composite resin materials: influence of sports and energy drinks immersion after a short-term period.

    Science.gov (United States)

    Erdemir, Ugur; Yildiz, Esra; Eren, Meltem Mert; Ozel, Sevda

    2013-01-01

    This study evaluated the effect of sports and energy drinks on the surface hardness of different composite resin restorative materials over a 1-month period. A total of 168 specimens: Compoglass F, Filtek Z250, Filtek Supreme, and Premise were prepared using a customized cylindrical metal mould and they were divided into six groups (N=42; n=7 per group). For the control groups, the specimens were stored in distilled water for 24 hours at 37°C and the water was renewed daily. For the experimental groups, the specimens were immersed in 5 mL of one of the following test solutions: Powerade, Gatorade, X-IR, Burn, and Red Bull, for two minutes daily for up to a 1-month test period and all the solutions were refreshed daily. Surface hardness was measured using a Vickers hardness measuring instrument at baseline, after 1-week and 1-month. Data were statistically analyzed using Multivariate repeated measure ANOVA and Bonferroni's multiple comparison tests (α=0.05). Multivariate repeated measures ANOVA revealed that there were statistically significant differences in the hardness of the restorative materials in different immersion times (psports and energy drinks after a 1-month evaluation period (psports and energy drinks on the surface hardness of a restorative material depends on the duration of exposure time, and the composition of the material.

  13. Seasonal evaluation of the land surface scheme HTESSEL against remote sensing derived energy fluxes of the Transdanubian region in Hungary

    Directory of Open Access Journals (Sweden)

    E. L. Wipfler

    2011-04-01

    Full Text Available The skill of the land surface model HTESSEL is assessed to reproduce evaporation in response to land surface characteristics and atmospheric forcing, both being spatially variable. Evaporation estimates for the 2005 growing season are inferred from satellite observations of the Western part of Hungary and compared to model outcomes. Atmospheric forcings are obtained from a hindcast run with the Regional Climate Model RACMO2. Although HTESSEL slightly underpredicts the seasonal evaporative fraction as compared to satellite estimates, the mean, 10th and 90th percentile of this variable are of the same magnitude as the satellite observations. The initial water as stored in the soil and snow layer does not have a significant effect on the statistical properties of the evaporative fraction. However, the spatial distribution of the initial soil and snow water significantly affects the spatial distribution of the calculated evaporative fraction and the models ability to reproduce evaporation correctly in low precipitation areas in the considered region. HTESSEL performs weaker in dryer areas. In Western Hungary these areas are situated in the Danube valley, which is partly covered by irrigated cropland and which also may be affected by shallow groundwater. Incorporating (lateral groundwater flow and irrigation, processes that are not included now, may improve HTESSELs ability to predict evaporation correctly. Evaluation of the model skills using other test areas and larger evaluation periods is needed to confirm the results.

    Based on earlier sensitivity analysis, the effect of a number of modifications to HTESSEL has been assessed. A more physically based reduction function for dry soils has been introduced, the soil depth is made variable and the effect of swallow groundwater included. However, the combined modification does not lead to a significantly improved performance of HTESSEL.

  14. Surface hardness evaluation of different composite resin materials: influence of sports and energy drinks immersion after a short-term period

    Directory of Open Access Journals (Sweden)

    Ugur Erdemir

    2013-04-01

    Full Text Available Objectives: This study evaluated the effect of sports and energy drinks on the surface hardness of different composite resin restorative materials over a 1-month period. Material and Methods: A total of 168 specimens: Compoglass F, Filtek Z250, Filtek Supreme, and Premise were prepared using a customized cylindrical metal mould and they were divided into six groups (N=42; n=7 per group. For the control groups, the specimens were stored in distilled water for 24 hours at 37°C and the water was renewed daily. For the experimental groups, the specimens were immersed in 5 mL of one of the following test solutions: Powerade, Gatorade, X-IR, Burn, and Red Bull, for two minutes daily for up to a 1-month test period and all the solutions were refreshed daily. Surface hardness was measured using a Vickers hardness measuring instrument at baseline, after 1-week and 1-month. Data were statistically analyzed using Multivariate repeated measure ANOVA and Bonferroni's multiple comparison tests (α=0.05. Results: Multivariate repeated measures ANOVA revealed that there were statistically significant differences in the hardness of the restorative materials in different immersion times (p<0.001 in different solutions (p<0.001. The effect of different solutions on the surface hardness values of the restorative materials was tested using Bonferroni's multiple comparison tests, and it was observed that specimens stored in distilled water demonstrated statistically significant lower mean surface hardness reductions when compared to the specimens immersed in sports and energy drinks after a 1-month evaluation period (p<0.001. The compomer was the most affected by an acidic environment, whereas the composite resin materials were the least affected materials. Conclusions: The effect of sports and energy drinks on the surface hardness of a restorative material depends on the duration of exposure time, and the composition of the material.

  15. SURFACE ENERGY BALANCE OVER ORANGE ORCHARD USING SURFACE RENEWAL ANALYSIS

    Directory of Open Access Journals (Sweden)

    Salvatore Barbagallo

    2009-12-01

    Full Text Available Reliable estimation of surface sensible and latent heat flux is the most important process to appraise energy and mass exchange among atmosphere and biosphere. In this study the surface energy fluxes were measured over an irrigated orange orchard during 2005-2008 monitoring periods using a Surface Renewal- Energy Balance approach. The experimental area is located in a representative orchard growing area of eastern Sicily (Italy. The performance of Surface Renewal (SR analysis for estimating sensible heat flux (H was analysed and evaluated in terms of correlation with H fluxes from the eddy covariance (EC method. Study revealed that the mean available energy (RN- G and latent heat flux (LE were of about 300 W m-2 and 237 W m-2, respectively, during dry periods and unstable-case atmospheric conditions. The estimated crop coefficient Kc values for the orchard crop averaged close to 0.80, which is considerably higher than previous FAO studies that found the value to be 0.65 for citrus with 70% of ground cover. The intercepted photosynthetically active radiation (LI PAR by the crop was measured and relationships between LAI and crop coefficient (Kc were established.

  16. 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.

  17. Surface hardness evaluation of different composite resin materials: influence of sports and energy drinks immersion after a short-term period

    Science.gov (United States)

    ERDEMİR, Ugur; YİLDİZ, Esra; EREN, Meltem Mert; OZEL, Sevda

    2013-01-01

    Objectives: This study evaluated the effect of sports and energy drinks on the surface hardness of different composite resin restorative materials over a 1-month period. Material and Methods: A total of 168 specimens: Compoglass F, Filtek Z250, Filtek Supreme, and Premise were prepared using a customized cylindrical metal mould and they were divided into six groups (N=42; n=7 per group). For the control groups, the specimens were stored in distilled water for 24 hours at 37º C and the water was renewed daily. For the experimental groups, the specimens were immersed in 5 mL of one of the following test solutions: Powerade, Gatorade, X-IR, Burn, and Red Bull, for two minutes daily for up to a 1-month test period and all the solutions were refreshed daily. Surface hardness was measured using a Vickers hardness measuring instrument at baseline, after 1-week and 1-month. Data were statistically analyzed using Multivariate repeated measure ANOVA and Bonferroni's multiple comparison tests (α=0.05). Results: Multivariate repeated measures ANOVA revealed that there were statistically significant differences in the hardness of the restorative materials in different immersion times (phardness values of the restorative materials was tested using Bonferroni's multiple comparison tests, and it was observed that specimens stored in distilled water demonstrated statistically significant lower mean surface hardness reductions when compared to the specimens immersed in sports and energy drinks after a 1-month evaluation period (phardness of a restorative material depends on the duration of exposure time, and the composition of the material. PMID:23739850

  18. Evaluation of Modeling Schemes to Estimate Evapotranspiration and Root Zone Soil Water Content over Vineyard using a Scintillometer and Remotely Sensed Surface Energy Balance

    Science.gov (United States)

    Geli, H. M. E.; Gonzalez-Piqueras, J.; Isidro, C., Sr.

    2016-12-01

    Actual crop evapotranspiration (ETa) and root zone soil water content (SMC) are key operational variable to monitor water consumption and water stress condition for improve vineyard grapes productivity and quality. This analysis, evaluates the estimation of ETa and SMC based on two modeling approaches. The first approach is a hybrid model that couples a thermal-based two source energy balance (TSEB) model (Norman et al. 1995) and water balance model to estimate the two variable (Geli 2012). The second approach is based on Large Aperture Scintillometer (LAS)-based estimates of sensible heat flux. The LAS-based estimates of sensible heat fluxes were used to calculate latent heat flux as the residual of surface energy balance equation on hourly basis which was converted to daily ETa. The calculated ETa from the scintillometer was then couple with the water balance approach to provide updated ETa_LAS and SMC_LAS. Both estimates of ETa and SMC based on LAS (i.e. ETa_LAS and SMC_LAS) and TSEB (ETa_TSEB and SMC_TSEB) were compared with ground-based observation from eddy covariance and soil water content measurements at multiple depths. The study site is an irrigated vineyard located in Central Spain Primary with heterogeneous surface conditions in term of irrigation practices and the ground based observation over the vineyard were collected during the summer of 2007. Preliminary results of the inter-comparison of the two approaches suggests relatively good between both modeling approaches and ground-based observations with RMSE lower than 1.2 mm/day for ETa and lower than 20% for SMC. References Norman, J. M., Kustas, W. P., & Humes, K. S. (1995). A two-source approach for estimating soil and vegetation energy fluxes in observations of directional radiometric surface temperature. Agricultural and Forest Meteorology, 77, 263293. Geli, Hatim M. E. (2012). Modeling spatial surface energy fluxes of agricultural and riparian vegetation using remote sensing, Ph. D. dissertation

  19. Adhesion energy, surface traction and surface tension in liquid xenon

    Indian Academy of Sciences (India)

    Abstract. We calculated the adhesion energy, the surface traction and the surface energy of liquid xenon using molecular dynamics (MD) simulation. The value of the adhesion energy for liquid xenon at a reduced density of 0.630 was found to be 0.591 J/m2 and the surface traction has a peak at z = 3.32 Å. It was observed ...

  20. Adhesion energy, surface traction and surface tension in liquid xenon

    Indian Academy of Sciences (India)

    We calculated the adhesion energy, the surface traction and the surface energy of liquid xenon using molecular dynamics (MD) simulation. The value of the adhesion energy for liquid xenon at a reduced density of 0.630 was found to be 0.591 J/m2 and the surface traction has a peak at = 3.32 Å. It was observed that the ...

  1. Potential energy surfaces for chemical reactions

    International Nuclear Information System (INIS)

    Schaefer, H.F. III.

    1976-01-01

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

  2. Surface Energy and Setting Process of Contacting Surfaces

    Directory of Open Access Journals (Sweden)

    M. V. Musokhranov

    2014-01-01

    Full Text Available The paper deals with a challenge in terms of ensuring an accuracy of the relative position of the conjugated surfaces that is to determine a coefficient of friction. To solve it, there is a proposal to use the surface energy, as a tool that influences the contacting parts nature. Presently, energy of the surface layers at best is only stated, but not used in practice.Analysis of the conditions of interaction between two contacting surfaces, such as seizing and setting cannot be explained only from the position of the roughness parameters. It is found that these phenomena are explained by the appearing gripe (setting bridges, which result from the energy of interaction between two or more adjacent surfaces. The emerging phenomenon such as micro welding, i.e. occurring bonds, is caused by the overflow of energy, according to the theory of physics, from the surface with a high level of energy to the surface with the smaller one to balance the system as a whole.The paper shows that through the use of process, controlling the depth of the surface layer and creating a certain structure, the energy level of the material as a whole can be specified. And this will allow us to provide the necessary performance and mechanical properties. It means to create as many gripe bridges as possible to ensure continuous positioning i.e. a fixed connection of the contacting surfaces.It was determined that to increase a value of the friction coefficient, the physical and mechanical properties of the surface layer of the parts material must be taken into account, namely, in the part body accumulate the energy to be consumed for forming the surface.The paper gives recommendations for including the parts of the surface energy in the qualitative indicators of characteristics. This will make a technologist, when routing a process, to choose such operations and modes to provide the designer-specified parameters not only of the accuracy and surface finish, but also of the

  3. Surface energy and surface tension of liquid metal nanodrops

    Directory of Open Access Journals (Sweden)

    Shebzukhov A.A.

    2011-05-01

    Full Text Available A unitary approach has been proposed for the calculation of surface energy and surface tension of nanoparticle being in equilibrium with its saturated vapor on both flat and curved surfaces at given temperature. The final equations involve parameters dependent on the type of premelting structure: bcc, fcc or hcp.

  4. Surface energy and surface tension of liquid metal nanodrops

    Science.gov (United States)

    Shebzukhova, M. A.; Shebzukhov, A. A.

    2011-05-01

    A unitary approach has been proposed for the calculation of surface energy and surface tension of nanoparticle being in equilibrium with its saturated vapor on both flat and curved surfaces at given temperature. The final equations involve parameters dependent on the type of premelting structure: bcc, fcc or hcp.

  5. Surface energy and surface tension of liquid metal nanodrops

    OpenAIRE

    Shebzukhov A.A.; Shebzukhova M.A.

    2011-01-01

    A unitary approach has been proposed for the calculation of surface energy and surface tension of nanoparticle being in equilibrium with its saturated vapor on both flat and curved surfaces at given temperature. The final equations involve parameters dependent on the type of premelting structure: bcc, fcc or hcp.

  6. Evaluating the performance of land surface model ORCHIDEE-CAN v1.0 on water and energy flux estimation with a single- and multi-layer energy budget scheme

    Science.gov (United States)

    Chen, Yiying; Ryder, James; Bastrikov, Vladislav; McGrath, Matthew J.; Naudts, Kim; Otto, Juliane; Ottlé, Catherine; Peylin, Philippe; Polcher, Jan; Valade, Aude; Black, Andrew; Elbers, Jan A.; Moors, Eddy; Foken, Thomas; van Gorsel, Eva; Haverd, Vanessa; Heinesch, Bernard; Tiedemann, Frank; Knohl, Alexander; Launiainen, Samuli; Loustau, Denis; Ogée, Jérôme; Vessala, Timo; Luyssaert, Sebastiaan

    2016-09-01

    Canopy structure is one of the most important vegetation characteristics for land-atmosphere interactions, as it determines the energy and scalar exchanges between the land surface and the overlying air mass. In this study we evaluated the performance of a newly developed multi-layer energy budget in the ORCHIDEE-CAN v1.0 land surface model (Organising Carbon and Hydrology In Dynamic Ecosystems - CANopy), which simulates canopy structure and can be coupled to an atmospheric model using an implicit coupling procedure. We aim to provide a set of acceptable parameter values for a range of forest types. Top-canopy and sub-canopy flux observations from eight sites were collected in order to conduct this evaluation. The sites crossed climate zones from temperate to boreal and the vegetation types included deciduous, evergreen broad-leaved and evergreen needle-leaved forest with a maximum leaf area index (LAI; all-sided) ranging from 3.5 to 7.0. The parametrization approach proposed in this study was based on three selected physical processes - namely the diffusion, advection, and turbulent mixing within the canopy. Short-term sub-canopy observations and long-term surface fluxes were used to calibrate the parameters in the sub-canopy radiation, turbulence, and resistance modules with an automatic tuning process. The multi-layer model was found to capture the dynamics of sub-canopy turbulence, temperature, and energy fluxes. The performance of the new multi-layer model was further compared against the existing single-layer model. Although the multi-layer model simulation results showed few or no improvements to both the nighttime energy balance and energy partitioning during winter compared with a single-layer model simulation, the increased model complexity does provide a more detailed description of the canopy micrometeorology of various forest types. The multi-layer model links to potential future environmental and ecological studies such as the assessment of in

  7. Solar energy converter using surface plasma waves

    Science.gov (United States)

    Anderson, L. M. (Inventor)

    1984-01-01

    Sunlight is dispersed over a diffraction grating formed on the surface of a conducting film on a substrate. The angular dispersion controls the effective grating period so that a matching spectrum of surface plasmons is excited for parallel processing on the conducting film. The resulting surface plasmons carry energy to an array of inelastic tunnel diodes. This solar energy converter does not require different materials for each frequency band, and sunlight is directly converted to electricity in an efficient manner by extracting more energy from the more energetic photons.

  8. Surface energy of metal alloy nanoparticles

    Science.gov (United States)

    Takrori, Fahed M.; Ayyad, Ahmed

    2017-04-01

    The measurement of surface energy of alloy nanoparticles experimentally is still a challenge therefore theoretical work is necessary to estimate its value. In continuation of our previous work on the calculation of the surface energy of pure metallic nanoparticles we have extended our work to calculate the surface energy of different alloy systems, namely, Co-Ni, Au-Cu, Cu-Al, Cu-Mg and Mo-Cs binary alloys. It is shown that the surface energy of metallic binary alloy decreases with decreasing particle size approaching relatively small values at small sizes. When both metals in the alloy obey the Hume-Rothery rules, the difference in the surface energy is small at the macroscopic as well as in the nano-scale. However when the alloy deviated from these rules the difference in surface energy is large in the macroscopic and in the nano scales. Interestingly when solid solution formation is not possible at the macroscopic scale according to the Hume-Rothery rules, it is shown it may form at the nano-scale. To our knowledge these findings here are presented for the first time and is challenging from fundamental as well as technological point of views.

  9. The evaluations of the influence of surface conductivity to the energy of particles in discharge channel and interaction force in contact charging process

    Energy Technology Data Exchange (ETDEWEB)

    Alisoy, H.Z. [Department of Electric and Electronics Engineering, Inonu University, 44280 Malatya (Turkey)]. E-mail: halis@inonu.edu.tr; Alisoy, G.T. [Department of Mathematics Education, Inonu University, 44280 Malatya (Turkey); Sahin, A. [Department of Physics, Inonu University, 44280 Malatya (Turkey); Yeroglu, C. [Department of Electric and Electronics Engineering, Inonu University, 44280 Malatya (Turkey)

    2006-12-18

    In this Letter, we present some analytical expressions by using the equations of electric field, inside and outside of a cylindrical void, taking the surface conductivity into consideration. We apply the obtained expressions to the high voltage insulation and ion electron technology, such as: (i) energies of charged particles occurring in discharge channel in accordance with Townsend approach; (ii) interaction force between the dielectric particle and the electrode for DC and AC cases.

  10. EVALUERING VAN GEDIFFERENSIEERDE ENERGIE- EN ...

    African Journals Online (AJOL)

    EVALUERING. VAN GEDIFFERENSIEERDE. ENERGIE- EN STIKSTOFAANVULLING. TOT. MIELIEKUILVOER. VIR SLAGLAMMERS. P.J. Boshoff*, D. Oosthuysen en Loraine Koekemoer. LAndbounavorsingsinstituut, Potchefstroom, 2520. (Sleutelwoorde: Kuilvoer, mieliemeel, stikstofaanvulling, slaglammers). (Key words:.

  11. Surface energy and viscoelasticity influence caramel adhesiveness.

    Science.gov (United States)

    Wagoner, Ty B; Foegeding, Edward Allen

    2017-08-26

    Adhesion is an important textural attribute that directs consumer eating patterns and behaviors and can be a negative attribute during food processing. The objectives of this study were to modify caramel formulation and compare adhesion to different materials to quantify the influence of surface energetics and viscoelasticity on caramel adhesiveness. Mechanical adhesion was viewed in the context of pressure sensitive tack theory, where adhesion is controlled by viscoelasticity of the adhesive material and the surface energy relationship of material and probe. Caramel samples varied in total amount of fat and protein, and mechanical adhesion was measured using a series of materials with total surface energies of 39.7-53.2 mJ/m 2 . Adhesiveness decreased as fat and protein content increased, with a significant effect of total surface energy. Viscoelasticity was modeled using creep recovery data fit to a four-element Burger mechanistic model. Burger model parameters representing retarded elasticity correlated strongly with adhesiveness. The results suggest two zones of adhesion based on formulation, one driven by both surface energy relationships-most notably dispersive and total surface energy-and viscoelasticity, and the other driven solely by viscoelasticity. Relationships between mechanical properties and adhesion have been explored but are still not well understood, and could aid in the design of food products with a controlled level of adhesion. The results of this study indicate the importance of considering material surface energy when measuring mechanical adhesion or texture profile analysis. Understanding the relationships between viscoelastic behavior and adhesion can be used to make inferences on perceived texture. © 2017 Wiley Periodicals, Inc.

  12. Adhesion energy, surface traction and surface tension in liquid xenon

    Indian Academy of Sciences (India)

    2015-11-27

    Nov 27, 2015 ... Home; Journals; Pramana – Journal of Physics; Volume 77; Issue 6. Adhesion energy, surface ... 2 G A Adebayo1. Department of Physics, University of Agriculture, Abeokuta, Nigeria; Department of Pure and Applied Physics, College of Pure and Applied Science, Caleb University, Imota, Lagos, Nigeria ...

  13. Energy performance evaluation of AAC

    Science.gov (United States)

    Aybek, Hulya

    The U.S. building industry constitutes the largest consumer of energy (i.e., electricity, natural gas, petroleum) in the world. The building sector uses almost 41 percent of the primary energy and approximately 72 percent of the available electricity in the United States. As global energy-generating resources are being depleted at exponential rates, the amount of energy consumed and wasted cannot be ignored. Professionals concerned about the environment have placed a high priority on finding solutions that reduce energy consumption while maintaining occupant comfort. Sustainable design and the judicious combination of building materials comprise one solution to this problem. A future including sustainable energy may result from using energy simulation software to accurately estimate energy consumption and from applying building materials that achieve the potential results derived through simulation analysis. Energy-modeling tools assist professionals with making informed decisions about energy performance during the early planning phases of a design project, such as determining the most advantageous combination of building materials, choosing mechanical systems, and determining building orientation on the site. By implementing energy simulation software to estimate the effect of these factors on the energy consumption of a building, designers can make adjustments to their designs during the design phase when the effect on cost is minimal. The primary objective of this research consisted of identifying a method with which to properly select energy-efficient building materials and involved evaluating the potential of these materials to earn LEED credits when properly applied to a structure. In addition, this objective included establishing a framework that provides suggestions for improvements to currently available simulation software that enhance the viability of the estimates concerning energy efficiency and the achievements of LEED credits. The primary objective

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

    DEFF Research Database (Denmark)

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

    2013-01-01

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

  15. Surface Plasmon-Assisted Solar Energy Conversion.

    Science.gov (United States)

    Dodekatos, Georgios; Schünemann, Stefan; Tüysüz, Harun

    2016-01-01

    The utilization of localized surface plasmon resonance (LSPR) from plasmonic noble metals in combination with semiconductors promises great improvements for visible light-driven photocatalysis, in particular for energy conversion. This review summarizes the basic principles of plasmonic photocatalysis, giving a comprehensive overview about the proposed mechanisms for enhancing the performance of photocatalytically active semiconductors with plasmonic devices and their applications for surface plasmon-assisted solar energy conversion. The main focus is on gold and, to a lesser extent, silver nanoparticles in combination with titania as semiconductor and their usage as active plasmonic photocatalysts. Recent advances in water splitting, hydrogen generation with sacrificial organic compounds, and CO2 reduction to hydrocarbons for solar fuel production are highlighted. Finally, further improvements for plasmonic photocatalysts, regarding performance, stability, and economic feasibility, are discussed for surface plasmon-assisted solar energy conversion.

  16. ENergy and Power Evaluation Program

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-11-01

    In the late 1970s, national and international attention began to focus on energy issues. Efforts were initiated to design and test analytical tools that could be used to assist energy planners in evaluating energy systems, particularly in developing countries. In 1984, the United States Department of Energy (DOE) commissioned Argonne National Laboratory`s Decision and Information Sciences Division (DIS) to incorporate a set of analytical tools into a personal computer-based package for distribution in developing countries. The package developed by DIS staff, the ENergy and Power Evaluation Program (ENPEP), covers the range of issues that energy planners must face: economic development, energy demand projections, supply-and-demand balancing, energy system expansion, and environmental impact analysis. Following the original DOE-supported development effort, the International Atomic Energy Agency (IAEA), with the assistance from the US Department of State (DOS) and the US Department of Energy (DOE), provided ENPEP training, distribution, and technical support to many countries. ENPEP is now in use in over 60 countries and is an international standard for energy planning tools. More than 500 energy experts have been trained in the use of the entire ENPEP package or some of its modules during the international training courses organized by the IAEA in collaboration with Argonne`s Decision and Information Sciences (DIS) Division and the Division of Educational Programs (DEP). This report contains the ENPEP program which can be download from the internet. Described in this report is the description of ENPEP Program, news, forums, online support and contacts.

  17. Evaluating the effects of historical land cover change on summertime weather and climate in New Jersey: Land cover and surface energy budget changes

    Science.gov (United States)

    Wichansky, P.S.; Steyaert, L.T.; Walko, R.L.; Waever, C.P.

    2008-01-01

    The 19th-century agrarian landscape of New Jersey (NJ) and the surrounding region has been extensively transformed to the present-day land cover by urbanization, reforestation, and localized areas of deforestation. This study used a mesoscale atmospheric numerical model to investigate the sensitivity of the warm season climate of NJ to these land cover changes. Reconstructed 1880s-era and present-day land cover data sets were used as surface boundary conditions for a set of simulations performed with the Regional Atmospheric Modeling System (RAMS). Three-member ensembles with historical and present-day land cover were compared to examine the sensitivity of surface air and dew point temperatures, rainfall, and the individual components of the surface energy budget to these land cover changes. Mean temperatures for the present-day landscape were 0.3-0.6??C warmer than for the historical landscape over a considerable portion of NJ and the surrounding region, with daily maximum temperatures at least 1.0??C warmer over some of the highly urbanized locations. Reforested regions, however, were slightly cooler. Dew point temperatures decreased by 0.3-0.6??C, suggesting drier, less humid near-surface air for the present-day landscape. Surface warming was generally associated with repartitioning of net radiation from latent to sensible heat flux, and conversely for cooling. While urbanization was accompanied by strong surface albedo decreases and increases in net shortwave radiation, reforestation and potential changes in forest composition have generally increased albedos and also enhanced landscape heterogeneity. The increased deciduousness of forests may have further reduced net downward longwave radiation. Copyright 2008 by the American Geophysical Union.

  18. Energy loss of light ions scattered off Al(110) single crystal surfaces at low energy

    NARCIS (Netherlands)

    Hausmann, S; Hofner, C; Schlathölter, Thomas; Franke, H; Narmann, A; Heiland, W

    We present energy loss data taken after grazing incidence scattering of H+, H-0, He2+, He+, and He-0 off an Al(110) surface, The data is evaluated by means of a procedure that allows to extract surface electron density parameters. The obtained density parameters will be compared to those obtained

  19. Computed potential energy surfaces for chemical reactions

    Science.gov (United States)

    Walch, Stephen P.; Levin, Eugene

    1993-01-01

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

  20. Efficiency Evaluation of Energy Systems

    CERN Document Server

    Kanoğlu, Mehmet; Dinçer, İbrahim

    2012-01-01

    Efficiency is one of the most frequently used terms in thermodynamics, and it indicates how well an energy conversion or process is accomplished. Efficiency is also one of the most frequently misused terms in thermodynamics and is often a source of misunderstanding. This is because efficiency is often used without being properly defined first. This book intends to provide a comprehensive evaluation of various efficiencies used for energy transfer and conversion systems including steady-flow energy devices (turbines, compressors, pumps, nozzles, heat exchangers, etc.), various power plants, cogeneration plants, and refrigeration systems. The book will cover first-law (energy based) and second-law (exergy based) efficiencies and provide a comprehensive understanding of their implications. It will help minimize the widespread misuse of efficiencies among students and researchers in energy field by using an intuitive and unified approach for defining efficiencies. The book will be particularly useful for a clear ...

  1. Development of fast disintegrating compressed tablets using amino acid as disintegration accelerator: evaluation of wetting and disintegration of tablet on the basis of surface free energy.

    Science.gov (United States)

    Fukami, Jinichi; Ozawa, Asuka; Yoshihashi, Yasuo; Yonemochi, Etsuo; Terada, Katsuhide

    2005-12-01

    A fast disintegrating compressed tablet was formulated using amino acids, such as L-lysine HCl, L-alanine, glycine and L-tyrosine as disintegration accelerator. The tablets having the hardness of about 4 kgf were prepared and the effect of amino acids on the wetting time and disintegration time in the oral cavity of tablets was examined on the basis of surface free energy of amino acids. The wetting time of the tablets increased in the order of L-lysine HCl, L-alanine, glycine and L-tyrosine, whereas the disintegration time in the oral cavity of the tablets increased in the order of L-alanine, glycine, L-lysine HCl and L-tyrosine. These behaviors were well analyzed by the introduction of surface free energy. When the polar component of amino acid was large value or the dispersion component was small value, faster wetting of tablet was observed. When the dispersion component of amino acid was large value or the dispersion component was small value, faster disintegration of tablet was observed, expect of L-tyrosine tablet. The fast disintegration of tablets was explained by the theory presented by Matsumaru.

  2. Obtaining evapotranspiration and surface energy fluxes with ...

    African Journals Online (AJOL)

    In this study, SEBAL (Surface Energy Balance Algorithm for Land), a remote sensing based evapotranspiration model, has been applied with Landsat ETM+ sensor for the estimation of actual ... The land uses in this study area consists of irrigated agriculture, rain-fed agriculture and livestock grazing. The obtained results ...

  3. 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...

  4. Surface/interfacial free energies and the surface tension of uranium dioxide

    International Nuclear Information System (INIS)

    Deshpande, M.S.; Desai, P.D.; Solomon, A.A.

    1984-01-01

    The purpose of this study is to review literature on surface/interfacial free energies and surface tension of UO/sub 2 +- x/. The data available in the literature are reviewed and critical evaluation and analyses of the available data are made by comparing them not only with each other, but also with the estimated values based on the available theoretical models. In light of the complexity of the material and the problems associated with the available literature data, no recommendations of surface/interfacial free energies and surface tension values are possible at this time. However, an attempt is made to point out problems associated with the data in general and also to develop procedures that can be used to analyze surface energies

  5. Surface free energy analysis of adsorbents used for radioiodine adsorption

    Energy Technology Data Exchange (ETDEWEB)

    González-García, C.M. [Departamento de Física Aplicada, Universidad de Extremadura, Avda. Elvas s/n, 06006 Badajoz (Spain); Román, S., E-mail: sroman@unex.es [Departamento de Física Aplicada, Universidad de Extremadura, Avda. Elvas s/n, 06006 Badajoz (Spain); González, J.F.; Sabio, E. [Departamento de Física Aplicada, Universidad de Extremadura, Avda. Elvas s/n, 06006 Badajoz (Spain); Ledesma, B. [Departamento de Ingeniería Mecánica, Energética y de los Materiales, Universidad de Extremadura, Avda. Elvas s/n, 06006 Badajoz (Spain)

    2013-10-01

    In this work, the surface free energy of biomass-based activated carbons, both fresh and impregnated with triethylenediamine, has been evaluated. The contribution of Lifshitz van der Waals components was determined by the model proposed by van Oss et al. The results obtained allowed predicting the most probable configurations of the impregnant onto the carbon surface and its influence on the subsequent adsorption of radioactive methyl iodide.

  6. Potential energy surface of triplet O4.

    Science.gov (United States)

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

    2018-03-28

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

  7. Surface energy, CO2 fluxes and sea ice

    CSIR Research Space (South Africa)

    Gulev, SK

    2009-09-01

    Full Text Available This paper reviews the current state of observation, parameterization and evaluation of surface air-sea energy and gas fluxes, and sea ice, for the purposes of monitoring and predicting the state of the global ocean. The last 10 years have been...

  8. Exchange energy of inhomogenous electron gas near a metal surface

    International Nuclear Information System (INIS)

    Miglio, L.; Tosi, M.P.; March, N.H.

    1980-12-01

    Using the first-order density matrix of an infinite-barrier model of a metal surface, the exchange energy density can be evaluated exactly as a function of distance z from the barrier. This result is compared with the local approximation -3/4e 2 (3/π)sup(1/3) rhosup(4/3)(z) where rho is the electron density in the model. The local approximation is demonstrated to be quantitatively accurate at all z. The integrated surface exchange energy is given to within 3% by the local theory. (author)

  9. 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.

  10. Evaluation of surface energy state distribution and bulk defect concentration in DSSC photoanodes based on Sn, Fe, and Cu doped TiO{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Ako, Rajour Tanyi [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Ekanayake, Piyaisiri, E-mail: piyasiri.ekanayake@ubd.edu.bn [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Young, David James [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research -A*STAR, 3 Research Link, 117602 (Singapore); Faculty of Science, Health, Education and Engineering, University of the Sunshine Coast, Locked Bag 4, Maroochydore DC, Queensland, 4558 (Australia); Hobley, Jonathan [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Chellappan, Vijila [Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research - A*STAR, 3 Research Link, 117602 (Singapore); Tan, Ai Ling [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam); Gorelik, Sergey; Subramanian, Gomathy Sandhya [Institute of Materials Research and Engineering (IMRE), Agency for Science, Technology and Research - A*STAR, 3 Research Link, 117602 (Singapore); Lim, Chee Ming [Faculty of Science, Universiti Brunei Darussalam, Jalan Tungku Link, BE1410, Negara (Brunei Darussalam)

    2015-10-01

    Graphical abstract: - Highlights: • The structural, optical and optoelectronic properties of 1 mol.% Fe, Sn and Cu doped TiO{sub 2} have been compared. • Transient lifetimes for pure TiO{sub 2} and Sn doped TiO{sub 2} were considerably shorter than Fe and Cu doped TiO{sub 2}. • A good correlation between the bulk defects and transient decay for the doped TiO{sub 2} powders was observed. • Photon to current conversion efficiency of DSSC based on the metal doped TiO{sub 2} were in order Sn-TiO{sub 2} > Cu-TiO{sub 2} > Pure >> Fe-TiO{sub 2}. • DSSC based on Fe doped photoanodes is limited by a high concentration of surface free holes observed at 433 nm. - Abstract: Electron transfer dynamics in the oxide layers of the working electrodes in both dye-sensitized solar cells and photocatalysts greatly influences their performance. A proper understanding of the distribution of surface and bulk energy states on/in these oxide layers can provide insights into the associated electron transfer processes. Metal ions like Iron (Fe), Copper (Cu) and Tin (Sn) doped onto TiO{sub 2} have shown enhanced photoactivity in these processes. In this work, the structural, optical and transient properties of Fe, Cu and Sn doped TiO{sub 2} nanocrystalline powders have been investigated and compared using EDX, Raman spectroscopy, X-ray Photoelectron spectroscopy (XPS), and Transient Absorption spectroscopy (TAS). Surface free energy states distributions were probed using Electrochemical Impedance spectroscopy (EIS) on Dye Sensitized Solar Cells (DSSC) based on the doped TiO{sub 2} photoanodes. Raman and XPS Ti2p{sub 3/2} peak shifts and broadening showed that the concentration of defects were in the order: Cu doped TiO{sub 2} > Fe doped TiO{sub 2} > Sn doped TiO{sub 2} > pure TiO{sub 2}. Nanosecond laser flash photolysis of Fe and Cu doped TiO{sub 2} indicated slower transient decay kinetics than that of Sn doped TiO{sub 2} or pure TiO{sub 2}. A broad absorption peak and fast

  11. Surface analysis with low energy ion scattering

    International Nuclear Information System (INIS)

    Taglauer, E.; Heiland, W.

    1976-01-01

    Principles and applications of low energy ion scattering for surface analysis are presented. Basic features are the binary collision concept, the scattering cross-sections and the ion neutralization process. The potential and the limitations of the method are outlined. Some pertinent experimental aspects are considered. In a number of examples the performance of the technique is demonstrated for qualitative composition analysis and for studies of surface structures. Finally a few comparisons are made with other techniques, such as AES, LEED, or SIMS. (orig.) [de

  12. Energy redistribution in diatomic molecules on surfaces

    International Nuclear Information System (INIS)

    Asscher, M.; Somorjai, G.A.

    1984-04-01

    Translational and internal degrees of freedom of a scattered beam of NO molecules from a Pt(111) single crystal surface were measured as a function of scattering angle and crystal temperature in the range 450 to 1250K. None of the three degrees of freedom were found to fully accommodate to the crystal temperature, the translational degree being the most accommodated and the rotational degree of freedom the least. A precursor state model is suggested to account for the incomplete accommodation of translational and vibrational degrees of freedom as a function of crystal temperature and incident beam energy. The vibrational accommodation is further discussed in terms of a competition between desorption and vibrational excitation processes, thus providing valuable information on the interaction between vibrationally excited molecules and surfaces. Energy transfer into rotational degrees of freedom is qualitatively discussed

  13. Computed potential energy surfaces for chemical reactions

    Science.gov (United States)

    Walch, Stephen P.

    1994-01-01

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

  14. Determination of Energy Fluxes Over Agricultural Surfaces

    Directory of Open Access Journals (Sweden)

    Josefina Argete

    1994-12-01

    Full Text Available An energy budget was conducted over two kinds if surfaces: grass and corn canopy. The net radiative flux and the soil heat flux were directly measured while the latent and sensible heat flux were calculated from the vertical profiles if wet and dry-bulb temperature and wind speed. The crop storage flux was also estimated. Using the gradient or aerodynamic equations, the calculated fluxes when compared to the measured fluxes in the context of an energy budget gave an SEE = 63 Wm-2 over grass and SEE = 81 Wm-2 over corn canopy. The calculated fluxes compared reasonably well with those obtained using the Penman equations.For an energy budget research with limited instrumentation, the aerodynamic method performed satisfactorily in estimating the daytime fluxes, when atmospheric conditions are fully convective, but failed when conditions were stably stratified as during nighttime.

  15. Plasma Treatment Maintains Surface Energy of the Implant Surface and Enhances Osseointegration

    Directory of Open Access Journals (Sweden)

    Fernando P. S. Guastaldi

    2013-01-01

    Full Text Available The surface energy of the implant surface has an impact on osseointegration. In this study, 2 surfaces: nonwashed resorbable blasting media (NWRBM; control and Ar-based nonthermal plasma 30 days (Plasma 30 days; experimental, were investigated with a focus on the surface energy. The surface energy was characterized by the Owens-Wendt-Rabel-Kaelble method and the chemistry by X-ray photoelectron spectroscopy (XPS. Five adult beagle dogs received 8 implants (n=2 per surface, per tibia. After 2 weeks, the animals were euthanized, and half of the implants (n=20 were removal torqued and the other half were histologically processed (n=20. The bone-to-implant contact (BIC and bone area fraction occupancy (BAFO were evaluated on the histologic sections. The XPS analysis showed peaks of C, Ca, O, and P for the control and experimental surfaces. While no significant difference was observed for BIC parameter (P>0.75, a higher level for torque (P<0.02 and BAFO parameter (P<0.01 was observed for the experimental group. The surface elemental chemistry was modified by the plasma and lasted for 30 days after treatment resulting in improved biomechanical fixation and bone formation at 2 weeks compared to the control group.

  16. Low Energy Surface Activation of Zirconia Based Restorations.

    Science.gov (United States)

    Aboushelib, Moustafa N

    2016-03-01

    To evaluate the influence of low energy surface activation technique on the biaxial flexure strength of zirconia frameworks. Zirconia discs were prepared by cutting CAD/CAM zirconia blocks. Sintered discs were airborne particle abraded using one of the following particles: 30 μm alumina particles, 50 μm alumina particles, or modified round edges 30 μm alumina particles at low pressure. Scanning electron microscopy, x-ray diffraction analysis, surface roughness, and biaxial flexure strength tests were performed (n = 20). Fractured specimens were fractographically analyzed (α = 0.05). Low energy surface activation resulted in 7% monoclinic crystallographic transformation, increasing surface roughness from 0.05 to 0.3 μm and in significant increase in biaxial flexure strength (1718 MPa) compared 30 μm (1064 MPa), 50 μm (1210 MPa), and as-sintered specimens (1150 MPa). Low energy surface activation of zirconia specimens improved the biaxial flexure strength of zirconia frameworks without creation of surface damage. Clinical implications: by controlling particle size and shape of alumina, the flexure strength of zirconia restorations could be increased usinglow pressure particle abrasion.

  17. Surface Energy Balance System (SEBS) Handbook

    Energy Technology Data Exchange (ETDEWEB)

    Cook, D. R. [Argonne National Lab. (ANL), Argonne, IL (United States)

    2016-01-01

    A Surface Energy Balance System (SEBS) has been installed collocated with each deployed Eddy Correlation Flux Measurement System (ECOR) at the Atmospheric Radiation Measurement (ARM) Climate Research Facility’s Southern Great Plains (SGP) site, North Slope of Alaska (NSA) site, first ARM Mobile Facility (AMF1), second ARM Mobile Facility (AMF2), and third ARM Mobile Facility (AMF3) at Oliktok Point (OLI). A SEBS was also deployed with the Tropical Western Pacific (TWP) site, before it was decommissioned. Data from these sites, including the retired TWP, are available in the ARM Data Archive. The SEBS consists of upwelling and downwelling solar and infrared radiometers within one net radiometer, a wetness sensor, and soil measurements. The SEBS measurements allow the comparison of ECOR sensible and latent heat fluxes with the energy balance determined from the SEBS and provide information on wetting of the sensors for data quality purposes.

  18. 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.

  19. Groundwater Protection Program Calendar Year 1998 Evaluation of Groundwater and Surface Water Quality Data for the Bear Creek Hydrogeologic Regime at the U.S. Department of Energy Y-12 Plant, Oak Ridge, Tennessee

    International Nuclear Information System (INIS)

    None

    1999-01-01

    This report presents an evaluation of the water quality monitoring data obtained by the Y-12 Plant Groundwater Protection Program (GWPP) in the Bear Creek Hydrogeologic Regime (Bear Creek Regime) during calendar year (CY) 1998. The Bear Creek Regime contains many confirmed and potential sources of groundwater and surface water contamination associated with the U.S. Department of Energy (DOE) Oak Ridge Y-12 Plant. Applicable provisions of DOE Order 5400.1A - General Environmental Protection Program - require evaluation of groundwater and surface water quality near the Y-12 Plant to: (1) gauge groundwater quality in areas that are, or could be, affected by plant operations, (2) determine the quality of surface water and groundwater where contaminants are most likely to migrate beyond the DOE Oak Ridge Reservation (ORR) property line, and (3) identify and characterize long-term trends in groundwater quality. The following sections of this report contain relevant background information (Section 2.0); describe the results of the respective data evaluations required under DOE Order 5400.1A (Section 3.0); summarize significant findings of each evaluation (Section 4.0); and list the technical reports and regulatory documents cited for more detailed information (Section 5.0). All of the figures (maps and trend graphs) and data tables referenced in each section are presented in Appendix A and Appendix B, respectively

  20. Groundwater Protection Program Calendar Year 1998 Evaluation of Groundwater and Surface Water Quality Data for the Bear Creek Hydrogeologic Regime at the U.S. Department of Energy Y-12 Plant, Oak Ridge, Tennessee

    Energy Technology Data Exchange (ETDEWEB)

    None

    1999-09-01

    This report presents an evaluation of the water quality monitoring data obtained by the Y-12 Plant Groundwater Protection Program (GWPP) in the Bear Creek Hydrogeologic Regime (Bear Creek Regime) during calendar year (CY) 1998. The Bear Creek Regime contains many confirmed and potential sources of groundwater and surface water contamination associated with the U.S. Department of Energy (DOE) Oak Ridge Y-12 Plant. Applicable provisions of DOE Order 5400.1A - General Environmental Protection Program - require evaluation of groundwater and surface water quality near the Y-12 Plant to: (1) gauge groundwater quality in areas that are, or could be, affected by plant operations, (2) determine the quality of surface water and groundwater where contaminants are most likely to migrate beyond the DOE Oak Ridge Reservation (ORR) property line, and (3) identify and characterize long-term trends in groundwater quality. The following sections of this report contain relevant background information (Section 2.0); describe the results of the respective data evaluations required under DOE Order 5400.1A (Section 3.0); summarize significant findings of each evaluation (Section 4.0); and list the technical reports and regulatory documents cited for more detailed information (Section 5.0). All of the figures (maps and trend graphs) and data tables referenced in each section are presented in Appendix A and Appendix B, respectively.

  1. Constraining Agricultural Irrigation Surface Energy Budget Feedbacks in Atmospheric Models

    Science.gov (United States)

    Aufforth, M. E.; Desai, A. R.; Suyker, A.

    2017-12-01

    The expansion and modernization of irrigation increased the relevance of knowing the effects it has on regional weather and climate feedbacks. We conducted a set of observationally-constrained simulations determining the result irrigation exhibits on the surface energy budget, the atmospheric boundary layer, and regional precipitation feedbacks. Eddy covariance flux tower observations were analyzed from two irrigated and one rain-fed corn/soybean rotation sites located near Mead, Nebraska. The evaluated time period covered the summer growing months of June, July, and August (JJA) during the years when corn grew at all three sites. As a product of higher continuous surface moisture availability, the irrigated crops had significantly higher amounts of energy partitioned towards latent heating than the non-irrigated site. The daily average peak of latent heating at the rain-fed site occurred before the irrigated sites and was approximately 45 W/m2 lower. Land surface models were evaluated on their ability to reproduce these effects, including those used in numerical weather prediction and those used in agricultural carbon cycle projection. Model structure, mechanisms, and parameters that best represent irrigation-surface energy impacts will be compared and discussed.

  2. Laser surface texturing of tool steel: textured surfaces quality evaluation

    Science.gov (United States)

    Šugár, Peter; Šugárová, Jana; Frnčík, Martin

    2016-05-01

    In this experimental investigation the laser surface texturing of tool steel of type 90MnCrV8 has been conducted. The 5-axis highly dynamic laser precision machining centre Lasertec 80 Shape equipped with the nano-second pulsed ytterbium fibre laser and CNC system Siemens 840 D was used. The planar and spherical surfaces first prepared by turning have been textured. The regular array of spherical and ellipsoidal dimples with a different dimensions and different surface density has been created. Laser surface texturing has been realized under different combinations of process parameters: pulse frequency, pulse energy and laser beam scanning speed. The morphological characterization of ablated surfaces has been performed using scanning electron microscopy (SEM) technique. The results show limited possibility of ns pulse fibre laser application to generate different surface structures for tribological modification of metallic materials. These structures were obtained by varying the processing conditions between surface ablation, to surface remelting. In all cases the areas of molten material and re-cast layers were observed on the bottom and walls of the dimples. Beside the influence of laser beam parameters on the machined surface quality during laser machining of regular hemispherical and elipsoidal dimple texture on parabolic and hemispherical surfaces has been studied.

  3. Influence of Surface Energy Effects on Elastic Fields of a Layered Elastic Medium under Surface Loading

    Directory of Open Access Journals (Sweden)

    Supakorn Tirapat

    2017-01-01

    Full Text Available This paper presents the analysis of a layered elastic half space under the action of axisymmetric surface loading and the influence of the surface energy effects. The boundary value problems for the bulk and the surface are formulated based on classical linear elasticity and a complete Gurtin-Murdoch constitutive relation. An analytical technique using Love’s representation and the Hankel integral transform is employed to derive an integral-form solution for both displacement and stress fields. An efficient numerical quadrature is then applied to accurately evaluate all involved integrals. Selected numerical results are presented to portray the influence of various parameters on elastic fields. Numerical results indicate that the surface stress displays a significant influence on both displacement and stress fields. It is also found that the layered half space becomes stiffer with the presence of surface stresses. In addition, unlike the classical elasticity solution, size-dependent behavior of elastic fields is noted. The present analytical solutions provide fundamental understanding of the influence of surface energy on layered elastic materials. It can also be used as a benchmark solution for the development of numerical techniques such as FEM and BEM, for analysis of more complex problems involving a layered medium under the influence of surface energy effects.

  4. Evaluation of Calendar Year 1996 groundwater and surface water quality data for the Upper East Fork Poplar Creek Hydrogeologic Regime at the US Department of Energy Y-12 Plant, Oak Ridge, Tennessee

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-09-01

    This report presents an evaluation of the groundwater monitoring data obtained in the Upper East Fork Poplar Creek Hydrogeologic Regime (East Fork Regime) during calendar year (CY) 1996. The East Fork Regime encompasses several confirmed and suspected sources of groundwater contamination within industrialized areas of the US Department of Energy (DOE) Y-12 Plant in Bear Creek Valley (BCV) southeast of Oak Ridge, Tennessee. The CY 1996 groundwater and surface water monitoring data are presented in Calendar Year 1996 Annual Groundwater Monitoring Report for the Upper East Fork Poplar Creek Hydrogeologic Regime at the US Department of Energy Y-12 Plant, Oak Ridge, Tennessee, along with the required data evaluations specified in the Resource Conservation and Recovery Act (RCRA) post-closure permit for the East Fork Regime. This report provides additional evaluation of the CY 1996 groundwater and surface water monitoring data with an emphasis on regime-wide groundwater contamination and long-term concentration trends for regulated and non-regulated monitoring parameters.

  5. Evaluating roadway surface rating technologies.

    Science.gov (United States)

    2015-06-01

    The key project objective was to assess and evaluate the feasibility and accuracy of : custom software used in smartphones to measure road roughness from the : accelerometer data collected from smartphones and compare results with PASER : (Pavement S...

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

    Science.gov (United States)

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

    2013-02-19

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

  7. Multi-energy Coordinated Evaluation for Energy Internet

    Science.gov (United States)

    Jia, Dongqiang; Sun, Jian; Wang, Cunping; Hong, Xiao; Ma, Xiufan; Xiong, Wenting; Shen, Yaqi

    2017-05-01

    This paper reviews the current research status of multi-energy coordinated evaluation for energy Internet. Taking the coordinated optimization effect of wind energy, solar energy and other energy sources into consideration, 17 evaluation indexes, such as the substitution coefficient of cold heat and power, the ratio of wind and solar energy, and the rate of energy storage ratio, were designed from five aspects, including the acceptance of renewable energy, energy complementary alternative benefits, peak valley difference, the degree of equipment utilization and user needs. At the same time, this article attaches importance to the economic and social benefits of the coordination of multiple energy sources. Ultimately, a comprehensive multi-energy coordination evaluation index system of regional energy Internet was put forward from the safe operation, coordination and optimization, economic and social benefits four aspects, and a comprehensive evaluation model was established. This model uses the optimal combination weighting method based on moment estimation and Topsis evaluation analysis method, so both the subjective and objective weight of the index are considered and the coordinate evaluation of multi-energy is realized. Finally the perfection of the index system and the validity of the evaluation method are verified by a case analysis.

  8. The Global Energy Balance Archive (GEBA): A database for the worldwide measured surface energy fluxes

    Science.gov (United States)

    Wild, Martin; Ohmura, Atsumu; Schär, Christoph; Müller, Guido; Hakuba, Maria Z.; Mystakidis, Stefanos; Arsenovic, Pavle; Sanchez-Lorenzo, Arturo

    2017-02-01

    The Global Energy Balance Archive (GEBA) is a database for the worldwide measured energy fluxes at the Earth's surface. GEBA is maintained at ETH Zurich (Switzerland) and has been founded in the 1980s by Prof. Atsumu Ohmura. It has continuously been updated and currently contains around 2500 stations with 500`000 monthly mean entries of various surface energy balance components. Many of the records extend over several decades. The most widely measured quantity available in GEBA is the solar radiation incident at the Earth's surface ("global radiation"). The data sources include, in addition to the World Radiation Data Centre (WRDC) in St. Petersburg, data reports from National Weather Services, data from different research networks (BSRN, ARM, SURFRAD), data published in peer-reviewed publications and data obtained through personal communications. Different quality checks are applied to check for gross errors in the dataset. GEBA is used in various research applications, such as for the quantification of the global energy balance and its spatiotemporal variation, or for the estimation of long-term trends in the surface fluxes, which enabled the detection of multi-decadal variations in surface solar radiation, known as "global dimming" and "brightening". GEBA is further extensively used for the evaluation of climate models and satellite-derived surface flux products. On a more applied level, GEBA provides the basis for engineering applications in the context of solar power generation, water management, agricultural production and tourism. GEBA is publicly accessible over the internet via www.geba.ethz.ch.

  9. 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.

  10. Energy and environmental evaluation of tri-generation energy systems

    International Nuclear Information System (INIS)

    Chicco, G.; Mancarella, P.

    2008-01-01

    Tri generation facilities manufactured with various technologies represent an important alternative solution for the development more efficient energy systems and low environmental impact. Are described the issues related to modelling and energy and environmental evaluation [it

  11. Evaluating Energy Efficiency Policies with Energy-Economy Models

    Energy Technology Data Exchange (ETDEWEB)

    Mundaca, Luis; Neij, Lena; Worrell, Ernst; McNeil, Michael A.

    2010-08-01

    The growing complexities of energy systems, environmental problems and technology markets are driving and testing most energy-economy models to their limits. To further advance bottom-up models from a multidisciplinary energy efficiency policy evaluation perspective, we review and critically analyse bottom-up energy-economy models and corresponding evaluation studies on energy efficiency policies to induce technological change. We use the household sector as a case study. Our analysis focuses on decision frameworks for technology choice, type of evaluation being carried out, treatment of market and behavioural failures, evaluated policy instruments, and key determinants used to mimic policy instruments. Although the review confirms criticism related to energy-economy models (e.g. unrealistic representation of decision-making by consumers when choosing technologies), they provide valuable guidance for policy evaluation related to energy efficiency. Different areas to further advance models remain open, particularly related to modelling issues, techno-economic and environmental aspects, behavioural determinants, and policy considerations.

  12. The importance of accurate glacier albedo for estimates of surface mass balance on Vatnajökull: evaluating the surface energy budget in a regional climate model with automatic weather station observations

    Science.gov (United States)

    Steffensen Schmidt, Louise; Aðalgeirsdóttir, Guðfinna; Guðmundsson, Sverrir; Langen, Peter L.; Pálsson, Finnur; Mottram, Ruth; Gascoin, Simon; Björnsson, Helgi

    2017-07-01

    A simulation of the surface climate of Vatnajökull ice cap, Iceland, carried out with the regional climate model HIRHAM5 for the period 1980-2014, is used to estimate the evolution of the glacier surface mass balance (SMB). This simulation uses a new snow albedo parameterization that allows albedo to exponentially decay with time and is surface temperature dependent. The albedo scheme utilizes a new background map of the ice albedo created from observed MODIS data. The simulation is evaluated against observed daily values of weather parameters from five automatic weather stations (AWSs) from the period 2001-2014, as well as in situ SMB measurements from the period 1995-2014. The model agrees well with observations at the AWS sites, albeit with a general underestimation of the net radiation. This is due to an underestimation of the incoming radiation and a general overestimation of the albedo. The average modelled albedo is overestimated in the ablation zone, which we attribute to an overestimation of the thickness of the snow layer and not taking the surface darkening from dirt and volcanic ash deposition during dust storms and volcanic eruptions into account. A comparison with the specific summer, winter, and net mass balance for the whole of Vatnajökull (1995-2014) shows a good overall fit during the summer, with a small mass balance underestimation of 0.04 m w.e. on average, whereas the winter mass balance is overestimated by on average 0.5 m w.e. due to too large precipitation at the highest areas of the ice cap. A simple correction of the accumulation at the highest points of the glacier reduces this to 0.15 m w.e. Here, we use HIRHAM5 to simulate the evolution of the SMB of Vatnajökull for the period 1981-2014 and show that the model provides a reasonable representation of the SMB for this period. However, a major source of uncertainty in the representation of the SMB is the representation of the albedo, and processes currently not accounted for in RCMs

  13. The importance of accurate glacier albedo for estimates of surface mass balance on Vatnajökull: evaluating the surface energy budget in a regional climate model with automatic weather station observations

    Directory of Open Access Journals (Sweden)

    L. S. Schmidt

    2017-07-01

    Full Text Available A simulation of the surface climate of Vatnajökull ice cap, Iceland, carried out with the regional climate model HIRHAM5 for the period 1980–2014, is used to estimate the evolution of the glacier surface mass balance (SMB. This simulation uses a new snow albedo parameterization that allows albedo to exponentially decay with time and is surface temperature dependent. The albedo scheme utilizes a new background map of the ice albedo created from observed MODIS data. The simulation is evaluated against observed daily values of weather parameters from five automatic weather stations (AWSs from the period 2001–2014, as well as in situ SMB measurements from the period 1995–2014. The model agrees well with observations at the AWS sites, albeit with a general underestimation of the net radiation. This is due to an underestimation of the incoming radiation and a general overestimation of the albedo. The average modelled albedo is overestimated in the ablation zone, which we attribute to an overestimation of the thickness of the snow layer and not taking the surface darkening from dirt and volcanic ash deposition during dust storms and volcanic eruptions into account. A comparison with the specific summer, winter, and net mass balance for the whole of Vatnajökull (1995–2014 shows a good overall fit during the summer, with a small mass balance underestimation of 0.04 m w.e. on average, whereas the winter mass balance is overestimated by on average 0.5 m w.e. due to too large precipitation at the highest areas of the ice cap. A simple correction of the accumulation at the highest points of the glacier reduces this to 0.15 m w.e. Here, we use HIRHAM5 to simulate the evolution of the SMB of Vatnajökull for the period 1981–2014 and show that the model provides a reasonable representation of the SMB for this period. However, a major source of uncertainty in the representation of the SMB is the representation of the albedo, and processes

  14. Seasonal contrast in the surface energy balance of the Sahel

    Science.gov (United States)

    Miller, R. L.; Slingo, A.; Barnard, J. C.; Kassianov, E.

    2009-07-01

    Over much of the world, heating of the surface by sunlight is balanced predominately by evaporative cooling. However, at the Atmospheric Radiation Measurement (ARM) Mobile Facility (AMF) in Niamey, Niger, evaporation makes a significant contribution to the surface energy balance only at the height of the rainy season, when precipitation has replenished the reservoir of soil moisture. The AMF was placed at Niamey from late 2005 to early 2007 to provide measurements of surface fluxes in coordination with geostationary satellite retrievals of radiative fluxes at the top of the atmosphere, as part of the RADAGAST experiment to calculate atmospheric radiative divergence. We use observations at the mobile facility to investigate how the surface adjusts to radiative forcing throughout the year. The surface response to solar heating varies with changes in atmospheric water vapor associated with the seasonal reversal of the West African monsoon, which modulates the greenhouse effect and the ability of the surface to radiate thermal energy directly to space. During the dry season, sunlight is balanced mainly by longwave radiation and the turbulent flux of sensible heat. The ability of longwave radiation to cool the surface drops after the onset of southwesterly surface winds at Niamey, when moist, oceanic air flows onshore, increasing local column moisture and atmospheric opacity. Following the onset of southwesterly flow, evaporation remains limited by the supply of moisture from precipitation. By the height of the rainy season, however, sufficient precipitation has accumulated that evaporation is controlled by incident sunlight, and radiative forcing of the surface is balanced comparably by the latent, sensible, and longwave fluxes. Evaporation increases with the leaf area index, suggesting that plants are a significant source of atmospheric moisture and may tap moisture stored beneath the surface that accumulated during a previous rainy season. Surface radiative forcing

  15. Evaluation of kinetic energy in flowing rivers

    Energy Technology Data Exchange (ETDEWEB)

    Faure, T. [National Research Council of Canada, Ottawa, ON (Canada). Canadian Hydraulics Centre

    2008-07-01

    New methods of evaluating the kinetic energy in rivers were discussed. Developed by the National Research Council's Canadian Hydraulics Centre, the numerical models were designed to generate hydrographs of river flow from dams; accommodate power density anomalies caused by the presence of islands in a river; and assess mean kinetic power rates. This presentation provided details of a simulation of 6 turbines located in close proximity to each other. The model was used to calculate velocity fields downstream of the turbines as well as changes in water surface elevation due to power production by the 6 75 kW turbines. Turbine power extraction and kinetic power in the upstream cross-section was assessed. The model showed that the turbines extracted 9 per cent of the river's 17,000 kW of estimated energy potential. The turbines were modelled by considering the porosity of the numerical elements at the location of the turbine and extracting known quantities of energy from the flow. The model was also used to calculate new hydrodynamics of the whole region with the turbines in place by assuming that energy was extracted over the entire depth of the location. The presentation included detailed charts of rivers modelled during the study. tabs., figs.

  16. Surface free energy of polypropylene and polycarbonate solidifying at different solid surfaces

    International Nuclear Information System (INIS)

    Chibowski, Emil; Terpilowski, Konrad

    2009-01-01

    Advancing and receding contact angles of water, formamide, glycerol and diiodomethane were measured on polypropylene (PP) and polycarbonate (PC) sample surfaces which solidified at Teflon, glass or stainless steel as matrix surfaces. Then from the contact angle hystereses (CAH) the apparent free energies γ s tot of the surfaces were evaluated. The original PP surface is practically nonpolar, possessing small electron donor interaction (γ s - =1.91mJ/m 2 ), as determined from the advancing contact angles of these liquids. It may result from impurities of the polymerization process. However, it increases up to 8-10 mJ/m 2 for PP surfaces contacted with the solids. The PC surfaces both original and modified show practically the same γ s - =6.56.7mJ/m 2 . No electron acceptor interaction is found on the surfaces. The γ s tot of modified PP and PC surfaces depend on the kind of probe liquid and contacted solid surface. The modified PP γ s tot values determined from CAH of polar liquids are greater than that of original surface and they increase in the sequence: Teflon, glass, stainless steel surface, at which they solidified. No clear dependence is observed between γ s tot and dielectric constant or dipole moment of the polar probe liquids. The changes in γ s tot of the polymer surfaces are due to the polymer nature and changes in its surface structure caused by the structure and force field of the contacting solid. It has been confirmed by AFM images.

  17. Evaluation of Calendar Year 1996 groundwater and surface water quality data for the Bear Creek Hydrogeologic Regime at the US Department of Energy Y-12 Plant, Oak Ridge, Tennessee

    International Nuclear Information System (INIS)

    1997-08-01

    This report presents an evaluation of the groundwater monitoring data obtained in the Bear Creek Hydrogeologic Regime (Bear Creek Regime) during calendar year (CY) 1996. The monitoring data were collected for the multiple programmatic purposes of the Y-12 Plant Groundwater Protection Program (GWPP) and have been reported in Calendar Year 1996 Annual Groundwater Monitoring Report for the Bear Creek Hydrogeologic Regime at the US Department of Energy Y-12 Plant, Oak Ridge, Tennessee. The Annual Monitoring report presents only the results of the monitoring data evaluations required for waste management sites addressed under the Resource Conservation and Recovery Act (RCRA) post-closure permit for the Bear Creek Regime. The Annual Monitoring Report also serves as a consolidated reference for the groundwater and surface water monitoring data obtained throughout the Bear Creek Regime under the auspices of the Y-12 GWPP. This report provides an evaluation of the CY 1996 monitoring data with an emphasis on regime-wide groundwater and surface water quality and long-term concentration trends of regulated and non-regulated monitoring parameters

  18. Evaluation of Calendar Year 1996 groundwater and surface water quality data for the Bear Creek Hydrogeologic Regime at the US Department of Energy Y-12 Plant, Oak Ridge, Tennessee

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1997-08-01

    This report presents an evaluation of the groundwater monitoring data obtained in the Bear Creek Hydrogeologic Regime (Bear Creek Regime) during calendar year (CY) 1996. The monitoring data were collected for the multiple programmatic purposes of the Y-12 Plant Groundwater Protection Program (GWPP) and have been reported in Calendar Year 1996 Annual Groundwater Monitoring Report for the Bear Creek Hydrogeologic Regime at the US Department of Energy Y-12 Plant, Oak Ridge, Tennessee. The Annual Monitoring report presents only the results of the monitoring data evaluations required for waste management sites addressed under the Resource Conservation and Recovery Act (RCRA) post-closure permit for the Bear Creek Regime. The Annual Monitoring Report also serves as a consolidated reference for the groundwater and surface water monitoring data obtained throughout the Bear Creek Regime under the auspices of the Y-12 GWPP. This report provides an evaluation of the CY 1996 monitoring data with an emphasis on regime-wide groundwater and surface water quality and long-term concentration trends of regulated and non-regulated monitoring parameters.

  19. Gibbs free energy, surface stress and melting point of nanoparticle

    International Nuclear Information System (INIS)

    Luo, Wenhua; Hu, Wangyu

    2013-01-01

    Two approaches to calculating Gibbs free energy of nanoparticle are compared. It is found that the contribution from the vibrational entropy of surface atoms of nanoparticle to its Gibbs free energy can be ignored, and Jiang et al.'s formula [J. Phys. Chem. B 105 (2001) 6275] [27] for calculating surface stress is only valid around room temperature. Furthermore, an approximate relationship between surface stress and surface free energy of nanoparticles is revealed. Finally, the reason why effect of size dependent surface energy on melting point of nanoparticle was neglected is clarified

  20. EXPERIMENTAL EVALUATION OF WEDM MACHINED SURFACE WAVINESS

    Directory of Open Access Journals (Sweden)

    Katerina Mouralova

    2016-10-01

    Full Text Available Wire Electrical Discharge Machining (WEDM an unconventional machining technology which has become indispensable in many industries. The typical morphology of a surface machined using the electrical discharge technology is characterized with a large number of craters caused by electro-spark discharges produced during the machining process. The study deals with an evaluation of the machine parameter setting on the profile parameters of surface waviness on samples made of two metal materials Al 99.5 and Ti-6Al-4V. Attention was also paid to an evaluation of the surface morphology using 3D colour filtered and non-filtered images.

  1. Comment on 'Modelling of surface energies of elemental crystals'

    International Nuclear Information System (INIS)

    Li Jinping; Luo Xiaoguang; Hu Ping; Dong Shanliang

    2009-01-01

    Jiang et al (2004 J. Phys.: Condens. Matter 16 521) present a model based on the traditional broken-bond model for predicting surface energies of elemental crystals. It is found that bias errors can be produced in calculating the coordination numbers of surface atoms, especially in the prediction of high-Miller-index surface energies. (comment)

  2. The energy balance of the earth's surface : a practical approach

    NARCIS (Netherlands)

    Bruin, de H.A.R.

    1982-01-01

    This study is devoted to the energy balance of the earth's surface with a special emphasis on practical applications. A simple picture of the energy exchange processes that take place at the ground is the following. Per unit time and area an amount of radiant energy is supplied to the surface. This

  3. Energy consumption and conservation, evaluation

    International Nuclear Information System (INIS)

    Acket, C.

    2006-04-01

    The energy consumption is increasing of more than 1% each year. It is necessary to slow down this growth and much better to inverse it. Observing the main consumption posts, energy saving is possible at short dated for the residential sector and medium and long dated for the transports and the industry. Anyway the individual behaviors are essential. The author presents the situation for each posts, providing data on the energy consumption and saving and recommendations. (A.L.B.)

  4. Evaluation of World Energy Scenarios

    Directory of Open Access Journals (Sweden)

    Valery I. Salygin

    2016-01-01

    Full Text Available What are the future global systems developments? It remains one the biggest unknown, especially in terms of energy, as it is globally considered as both cause and solution for multiple problems of the humanity. Therefore, nowadays a number of experts are exploring driving forces, critical uncertainties and unknowns that have an influence on future energy systems development. This article aims at providing a brief investigation of existing world energy scenarios that cover the range of plausible outcomes of future global energy system development. Those are represented by International Energy Agency, World Energy Council, Organization of the Petroleum Exporting Countries, and others. The analysis covers both qualitative and quantitative indicators of the world energy system development that provide for future worldview formation. The article looks into various approaches to energy system development forecasting and scenario building employed by the abovementioned organisations, and discovers the motives for making assumptions as the means of attaining internal targets and the consequences of the distinction of individual attitude to the development trends within the expert community. The current assessment implies grouping of the most advanced of the existing energy system development models, identification their advantages and disadvantages, and shows differences in modeling approaches used in a number of specialized international organisations.

  5. A simple model for the surface energy of ionic crystals

    International Nuclear Information System (INIS)

    Roman, E.; Tosi, M.P.

    1982-01-01

    The surface energy of ionic materials is empirically related to bulk properties (elastic constants, electronic dielectric constant and optical band gap) through an analysis of the cleavage force. This is evaluated at small and large separations of the two crystal halves from phonon dispersion curves and from van der Waals interactions, respectively, and these two limiting behaviours are connected by a scaling hypothesis introduced for metals by Kohn and Yaniv. The experimental data that are available for a few ionic crystals seem to satisfy the suggested relation, with an empirical universal parameter which has roughly the same value as determined for metals. (author)

  6. Improvement of a land surface model for accurate prediction of surface energy and water balances

    International Nuclear Information System (INIS)

    Katata, Genki

    2009-02-01

    In order to predict energy and water balances between the biosphere and atmosphere accurately, sophisticated schemes to calculate evaporation and adsorption processes in the soil and cloud (fog) water deposition on vegetation were implemented in the one-dimensional atmosphere-soil-vegetation model including CO 2 exchange process (SOLVEG2). Performance tests in arid areas showed that the above schemes have a significant effect on surface energy and water balances. The framework of the above schemes incorporated in the SOLVEG2 and instruction for running the model are documented. With further modifications of the model to implement the carbon exchanges between the vegetation and soil, deposition processes of materials on the land surface, vegetation stress-growth-dynamics etc., the model is suited to evaluate an effect of environmental loads to ecosystems by atmospheric pollutants and radioactive substances under climate changes such as global warming and drought. (author)

  7. Energy Accommodation from Surface Catalyzed Reactions in Air Plasmas

    Data.gov (United States)

    National Aeronautics and Space Administration — Understanding energy transport at the gas-surface interface between catalytic/reacting surfaces exposed to highly dissociated plasmas remains a significant research...

  8. Surface free energy of alkali and transition metal nanoparticles

    International Nuclear Information System (INIS)

    Aqra, Fathi; Ayyad, Ahmed

    2014-01-01

    Graphical abstract: Size dependent surface free energy of spherical, cubic and disk Au nanoparticles. - Highlights: • A model to account for the surface free energy of metallic nanoparticles is described. • The model requires only the cohesive energy of the nanoparticle. • The surface free energy of a number of metallic nanoparticles has been calculated, and the obtained values agree well with existing data. • Surface energy falls down very fast when the number of atoms is less than hundred. • The model is applicable to any metallic nanoparticle. - Abstract: This paper addresses an interesting issue on the surface free energy of metallic nanoparticles as compared to the bulk material. Starting from a previously reported equation, a theoretical model, that involves a specific term for calculating the cohesive energy of nanoparticle, is established in a view to describe the behavior of surface free energy of metallic nanoparticles (using different shapes of particle: sphere, cube and disc). The results indicate that the behavior of surface energy is very appropriate for spherical nanoparticle, and thus, it is the most realistic shape of a nanoparticle. The surface energy of copper, silver, gold, platinum, tungsten, molybdenum, tantalum, paladium and alkali metallic nanoparticles is only prominent in the nanoscale size, and it decreases with the decrease of nanoparticle size. Thus, the surface free energy plays a more important role in determining the properties of nanoparticles than in bulk materials. It differs from shape to another, and falls down as the number of atoms (nanoparticle size) decreases. In the case of spherical nanoparticles, the onset of the sharp decrease in surface energy is observed at about 110 atom. A decrease of 16% and 45% in surface energy is found by moving from bulk to 110 atom and from bulk to 5 atom, respectively. The predictions are consistent with the reported data

  9. Evaluation of Spain's Water-Energy Nexus

    OpenAIRE

    Hardy, Laurent; Garrido Colmenero, Alberto; Juana Sirgado, Luis

    2012-01-01

    This paper explores the water-energy nexus of Spain and offers calculations for both the energy used in the water sector and the water required to run the energy sector. The article takes a prospective approach, offering evaluations of policy objectives for biofuels and expected renewable energy sources. Approximately 5.8% of total electricity demand in Spain is due to the water sector. Irrigated agriculture is one of the Spanish water sectors that show the largest growth in energy requiremen...

  10. Ab initio ground state phenylacetylene-argon intermolecular potential energy surface and rovibrational spectrum

    DEFF Research Database (Denmark)

    Cybulski, Hubert; Fernandez, Berta; Henriksen, Christian

    2012-01-01

    We evaluate the phenylacetylene-argon intermolecular potential energy surface by fitting a representative number of ab initio interaction energies to an analytic function. These energies are calculated at a grid of intermolecular geometries, using the CCSD(T) method and the aug-cc-pVDZ basis set ...... Institute of Physics. [http://dx.doi.org/10.1063/1.4742153]...

  11. The Global Energy Balance Archive (GEBA) version 2017: a database for worldwide measured surface energy fluxes

    Science.gov (United States)

    Wild, Martin; Ohmura, Atsumu; Schär, Christoph; Müller, Guido; Folini, Doris; Schwarz, Matthias; Zyta Hakuba, Maria; Sanchez-Lorenzo, Arturo

    2017-08-01

    The Global Energy Balance Archive (GEBA) is a database for the central storage of the worldwide measured energy fluxes at the Earth's surface, maintained at ETH Zurich (Switzerland). This paper documents the status of the GEBA version 2017 dataset, presents the new web interface and user access, and reviews the scientific impact that GEBA data had in various applications. GEBA has continuously been expanded and updated and contains in its 2017 version around 500 000 monthly mean entries of various surface energy balance components measured at 2500 locations. The database contains observations from 15 surface energy flux components, with the most widely measured quantity available in GEBA being the shortwave radiation incident at the Earth's surface (global radiation). Many of the historic records extend over several decades. GEBA contains monthly data from a variety of sources, namely from the World Radiation Data Centre (WRDC) in St. Petersburg, from national weather services, from different research networks (BSRN, ARM, SURFRAD), from peer-reviewed publications, project and data reports, and from personal communications. Quality checks are applied to test for gross errors in the dataset. GEBA has played a key role in various research applications, such as in the quantification of the global energy balance, in the discussion of the anomalous atmospheric shortwave absorption, and in the detection of multi-decadal variations in global radiation, known as global dimming and brightening. GEBA is further extensively used for the evaluation of climate models and satellite-derived surface flux products. On a more applied level, GEBA provides the basis for engineering applications in the context of solar power generation, water management, agricultural production and tourism. GEBA is publicly accessible through the internet via http://www.geba.ethz.ch. Supplementary data are available at https://doi.org/10.1594/PANGAEA.873078.

  12. Italian energy scenarios comparative evaluations

    International Nuclear Information System (INIS)

    Contaldi, Mario

    2005-01-01

    This paper reviews some representative scenarios of the evolution of the Italian primary energy consumption, updated recently. After an overview of the main macroeconomics assumptions the scenario results are cross checked at sectorial level, with a brief discussion of the underlining data and energy intensity trends. The emissions of CO 2 , SO 2 and NO x resulting from the considered scenarios are also reported and discussed [it

  13. Analysis of surface with low energy ions

    International Nuclear Information System (INIS)

    Oliver, A.; Miranda, J.

    1989-01-01

    Nuclear techniques applied to element analysis presents different characteristics depending on projectile energy. It can seen observed than an energy (E ≅ 1 MeV) exists which separate two regions for which sensitivity, information analysis and resolution in detection are different. For this work, we describe for the energy region E ≤ 1 MeV, the advantage of the three most used techniques which are PIXE, RBS y RNR. (Author)

  14. Modeling of a nanoscale flexoelectric energy harvester with surface effects

    Science.gov (United States)

    Yan, Zhi

    2017-04-01

    This work presents the modeling of a beam energy harvester scavenging energy from ambient vibration based on the phenomenon of flexoelectricity. By considering surface elasticity, residual surface stress, surface piezoelectricity and bulk flexoelectricity, a modified Euler-Bernoulli beam model for the energy harvester is developed. After deriving the requisite energy expressions, the extended Hamilton's principle and the assumed-modes method are employed to obtain the discrete electromechanical Euler-Lagrange's equations. Then, the expressions of the steady-state electromechanical responses are given for harmonic base excitation. Numerical simulations are conducted to show the output voltage and the output power of the flexoelectric energy harvesters with different materials and sizes. Particular emphasis is given to the surface effects on the performance of the energy harvesters. It is found that the surface effects are sensitive to the beam geometries and the surface material constants, and the effect of residual surface stress is more significant than that of the surface elasticity and the surface piezoelectricity. The axial deformation of the beam is also considered in the model to account for the electromechanical coupling due to piezoelectricity, and results indicate that piezoelectricity will diminish the output electrical quantities for the case investigated. This work could lead to the development of flexoelectric energy harvesters that can make the micro- and nanoscale sensor systems autonomous.

  15. Surface energy and work function of elemental metals

    DEFF Research Database (Denmark)

    Skriver, Hans Lomholt; Rosengaard, N. M.

    1992-01-01

    We have performed an ab initio study of the surface energy and the work function for six close-packed surfaces of 40 elemental metals by means of a Green’s-function technique, based on the linear-muffin-tin-orbitals method within the tight-binding and atomic-sphere approximations. The results...... are in excellent agreement with a recent full-potential, all-electron, slab-supercell calculation of surface energies and work functions for the 4d metals. The present calculations explain the trend exhibited by the surface energies of the alkali, alkaline earth, divalent rare-earth, 3d, 4d, and 5d transition...

  16. The interactions between soil-biosphere-atmosphere (ISBA) land surface model multi-energy balance (MEB) option in SURFEXv8 - Part 2: Introduction of a litter formulation and model evaluation for local-scale forest sites

    Science.gov (United States)

    Napoly, Adrien; Boone, Aaron; Samuelsson, Patrick; Gollvik, Stefan; Martin, Eric; Seferian, Roland; Carrer, Dominique; Decharme, Bertrand; Jarlan, Lionel

    2017-04-01

    Land surface models (LSMs) need to balance a complicated trade-off between computational cost and complexity in order to adequately represent the exchanges of energy, water and matter with the atmosphere and the ocean. Some current generation LSMs use a simplified or composite canopy approach that generates recurrent errors in simulated soil temperature and turbulent fluxes. In response to these issues, a new version of the interactions between soil-biosphere-atmosphere (ISBA) land surface model has recently been developed that explicitly solves the transfer of energy and water from the upper canopy and the forest floor, which is characterized as a litter layer. The multi-energy balance (MEB) version of ISBA is first evaluated for three well-instrumented contrasting local-scale sites, and sensitivity tests are performed to explore the behavior of new model parameters. Second, ISBA-MEB is benchmarked against observations from 42 forested sites from the global micro-meteorological network (FLUXNET) for multiple annual cycles.It is shown that ISBA-MEB outperforms the composite version of ISBA in improving the representation of soil temperature, ground, sensible and, to a lesser extent, latent heat fluxes. Both versions of ISBA give comparable results in terms of simulated latent heat flux because of the similar formulations of the water uptake and the stomatal resistance. However, MEB produces a better agreement with the observations of sensible heat flux than the previous version of ISBA for 87.5 % of the simulated years across the 42 forested FLUXNET sites. Most of this improvement arises owing to the improved simulation of the ground conduction flux, which is greatly improved using MEB, especially owing to the forest litter parameterization. It is also shown that certain processes are also modeled more realistically (such as the partitioning of evapotranspiration into transpiration and ground evaporation), even if certain statistical performances are neutral. The

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

    Science.gov (United States)

    Heaps, Charles W; Mazziotti, David A

    2016-04-28

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

  18. Deposition of Ultrathin Nano-Hydroxyapatite Films on Laser Micro-Textured Titanium Surfaces to Prepare a Multiscale Surface Topography for Improved Surface Wettability/Energy

    Directory of Open Access Journals (Sweden)

    Maria Surmeneva

    2016-10-01

    Full Text Available The primary aim of this study was to analyse the correlation between topographical features and chemical composition with the changes in wettability and the surface free energy of microstructured titanium (Ti surfaces. Periodic microscale structures on the surface of Ti substrates were fabricated via direct laser interference patterning (DLIP. Radio-frequency magnetron sputter deposition of ultrathin nanostructured hydroxyapatite (HA films was used to form an additional nanoscale grain morphology on the microscale-structured Ti surfaces to generate multiscale surface structures. The surface characteristics were evaluated using atomic force microscopy and contact angle and surface free energy measurements. The structure and phase composition of the HA films were investigated using X-ray diffraction. The HA-coated periodic microscale structured Ti substrates exhibited a significantly lower water contact angle and a larger surface free energy compared with the uncoated Ti substrates. Control over the wettability and surface free energy was achieved using Ti substrates structured via the DLIP technique followed by the deposition of a nanostructured HA coating, which resulted in the changes in surface chemistry and the formation of multiscale surface topography on the nano- and microscale.

  19. Critical assessment of Pt surface energy - An atomistic study

    Science.gov (United States)

    Kim, Jin-Soo; Seol, Donghyuk; Lee, Byeong-Joo

    2018-04-01

    Despite the fact that surface energy is a fundamental quantity in understanding surface structure of nanoparticle, the results of experimental measurements and theoretical calculations for the surface energy of pure Pt show a wide range of scattering. It is necessary to further ensure the surface energy of Pt to find the equilibrium shape and atomic configuration in Pt bimetallic nanoparticles accurately. In this article, we critically assess and optimize the Pt surface energy using a semi-empirical atomistic approach based on the second nearest-neighbor modified embedded-atom method interatomic potential. That is, the interatomic potential of pure Pt was adjusted in a way that the surface segregation tendency in a wide range of Pt binary alloys is reproduced in accordance with experimental information. The final optimized Pt surface energy (mJ/m2) is 2036 for (100) surface, 2106 for (110) surface, and 1502 for (111) surface. The potential can be utilized to find the equilibrium shape and atomic configuration of Pt bimetallic nanoparticles more accurately.

  20. Solar energy program evaluation: an introduction

    Energy Technology Data Exchange (ETDEWEB)

    deLeon, P.

    1979-09-01

    The Program Evaluation Methodology provides an overview of the practice and methodology of program evaluation and defines more precisely the evaluation techniques and methodologies that would be most appropriate to government organizations which are actively involved in the research, development, and commercialization of solar energy systems. Formal evaluation cannot be treated as a single methodological approach for assessing a program. There are four basic types of evaluation designs - the pre-experimental design; the quasi-experimental design based on time series; the quasi-experimental design based on comparison groups; and the true experimental design. This report is organized to first introduce the role and issues of evaluation. This is to provide a set of issues to organize the subsequent sections detailing the national solar energy programs. Then, these two themes are integrated by examining the evaluation strategies and methodologies tailored to fit the particular needs of the various individual solar energy programs. (MCW)

  1. Surface technologies 2006-Alternative energies and policy options

    International Nuclear Information System (INIS)

    Rose, Lars

    2007-01-01

    Surfaces are the immediate contact between anything in our world. Literally, every industry utilizes coatings and surface modifications in order to create surfaces tailored to specific needs, protect underlying substrates, or modify their behavior. Surface and coating technologies are essential to a large variety of different industrial sectors, including transportation, manufacturing, food and biomedical engineering, energy, resources, and materials science and technology. The present paper explains the limitations for alternative energy technologies, with a focus on fuel cell technology development and the alternative energy sector, based on the outcomes of presentations and facilitated discussion groups during a Canadian national workshop series. Options for technological improvements of alternative energy systems are presented in combination with national and international policy choices, which could positively influence research and development in the alternative energy sector

  2. Surface free energy for systems with integrable boundary conditions

    International Nuclear Information System (INIS)

    Goehmann, Frank; Bortz, Michael; Frahm, Holger

    2005-01-01

    The surface free energy is the difference between the free energies for a system with open boundary conditions and the same system with periodic boundary conditions. We use the quantum transfer matrix formalism to express the surface free energy in the thermodynamic limit of systems with integrable boundary conditions as a matrix element of certain projection operators. Specializing to the XXZ spin-1/2 chain we introduce a novel 'finite temperature boundary operator' which characterizes the thermodynamical properties of surfaces related to integrable boundary conditions

  3. Dual hierarchical biomimic superhydrophobic surface with three energy states

    Science.gov (United States)

    Chen, Ming-Hung; Hsu, Tsung-Hsing; Chuang, Yun-Ju; Tseng, Fan-Gang

    2009-07-01

    A low hysteresis surface prepared by two-length-scaled hierarchical textures to mimic the Lotus effect is proposed. The fabricated textures incorporate self-masked nanorods on microextrusions. A high static contact angle (160°) and low hysteresis (˜2.7°) are obtained and comparable to the surface properties of a natural lotus leaf. The stability of hydrophobicity is described with respect to three energy states (nonwetting, microwetting, and nanowetting) based on dynamic contact angle analysis by droplet impinging onto the surface. The estimated texture-induced energy barrier based on the principle of energy conservation is in good agreement to those estimated from Laplace's law.

  4. Expected energy production evaluation for photovoltaic systems

    DEFF Research Database (Denmark)

    Ding, Yi; Østergaard, Jacob; Peng, Wang

    2011-01-01

    A photovoltaic (PV) system consists of many solar panels, which are connected in series, parallel or a combination of both. Energy production for the PV system with various configurations is different. In this paper, a methodology is developed to evaluate and analyze the expected energy production...

  5. Health evaluation of energy-generating sources

    International Nuclear Information System (INIS)

    Anon.

    1978-01-01

    The American Medical Association's House of Delegates, at its December 1976 Clinical Convention, requested that an evaluation be made of the health hazards of nuclear, fossil, and alternative energy-generating sources, for employees of energy-producing facilities as well as for the general population. This report is a summary evaluation of such hazards prepared in response to that request. This report, which was adopted by the House of Delegates on June 21, 1978, appears here in a revised and corrected version

  6. Energy and water cycle over the Tibetan plateau : surface energy balance and turbulent heat fluxes

    NARCIS (Netherlands)

    Su, Zhongbo; Zhang, Ting; Ma, Yaoming; Jia, Li; Wen, Jun

    2006-01-01

    This contribution presents an overview and an outlook of studies on energy and water cycle over the Tibetan plateau with focuses on the estimation of energy balance terms and turbulent heat fluxes. On the basis of the surface energy balance calculations, we show that the phenomena of the energy

  7. Energy and water cycle over the Tibetan Plateau: surface energy balance and turbulent heat fluxes

    NARCIS (Netherlands)

    Su, Z.; Zhang, T.; Ma, Y.; Jia, L.; Wen, J.

    2006-01-01

    This contribution presents an overview and an outlook of studies on energy and water cycle over the Tibetan plateau with focuses on the estimation of energy balance terms and turbulent heat fluxes. On the basis of the surface energy balance calculations, we show that the phenomena of the energy

  8. On Averaging Timescales for the Surface Energy Budget Closure Problem

    Science.gov (United States)

    Grachev, A. A.; Fairall, C. W.; Persson, O. P. G.; Uttal, T.; Blomquist, B.; McCaffrey, K.

    2017-12-01

    An accurate determination of the surface energy budget (SEB) and all SEB components at the air-surface interface is of obvious relevance for the numerical modelling of the coupled atmosphere-land/ocean/snow system over different spatial and temporal scales, including climate modelling, weather forecasting, environmental impact studies, and many other applications. This study analyzes and discusses comprehensive measurements of the SEB and the surface energy fluxes (turbulent, radiative, and ground heat) made over different underlying surfaces based on the data collected during several field campaigns. Hourly-averaged, multiyear data sets collected at two terrestrial long-term research observatories located near the coast of the Arctic Ocean at Eureka (Canadian Archipelago) and Tiksi (East Siberia) and half-hourly averaged fluxes collected during a year-long field campaign (Wind Forecast Improvement Project 2, WFIP 2) at the Columbia River Gorge (Oregon) in areas of complex terrain. Our direct measurements of energy balance show that the sum of the turbulent sensible and latent heat fluxes systematically underestimate the available energy at half-hourly and hourly time scales by around 20-30% at these sites. This imbalance of the surface energy budget is comparable to other terrestrial sites. Surface energy balance closure is a formulation of the conservation of energy principle (the first law of thermodynamics). The lack of energy balance closure at hourly time scales is a fundamental and pervasive problem in micrometeorology and may be caused by inaccurate estimates of the energy storage terms in soils, air and biomass in the layer below the measurement height and above the heat flux plates. However, the residual energy imbalance is significantly reduced at daily and monthly timescales. Increasing the averaging time to daily scales substantially reduces the storage terms because energy locally entering the soil, air column, and vegetation in the morning is

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

    Science.gov (United States)

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

    2017-04-06

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

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

    Indian Academy of Sciences (India)

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

  11. Investigation of the surface free energy of the ITO thin films deposited under different working pressure

    International Nuclear Information System (INIS)

    Özen, Soner; Pat, Suat; Korkmaz, Şadan; Şenay, Volkan

    2016-01-01

    This study discusses the influence of working pressure on the surface energy of the ITO thin films produced by radio frequency magnetron sputtering method. Optical tensiometer (Attension Theta Lite) is used for evaluating wetting behavior of the water droplet on the film surface and Equation of State method was selected to determine surface free energy for this study. Equation of state method does not divide the surface tension into different components such as polar, dispersive, acid-base. It is calculated the surfaces’ free energy measuring the contact angle with a single liquid. The surface free energy value was in the range of 15-31 mN/m. Also, the transmittances were determined in the wavelength range between 200 and 1000 nm using the UNICO 4802 UV-Vis double beam spectrophotometer. Transmittances of the produced ITO thin films are greater than %70 in the visible range.

  12. Investigation of the surface free energy of the ITO thin films deposited under different working pressure

    Energy Technology Data Exchange (ETDEWEB)

    Özen, Soner, E-mail: osoner@ogu.edu.tr; Pat, Suat; Korkmaz, Şadan [Eskişehir Osmangazi University, Physics Department, 26480 (Turkey); Şenay, Volkan [Eskişehir Osmangazi University, Physics Department, 26480 (Turkey); Bayburt University, Primary Science Education Department, 69000 (Turkey)

    2016-03-25

    This study discusses the influence of working pressure on the surface energy of the ITO thin films produced by radio frequency magnetron sputtering method. Optical tensiometer (Attension Theta Lite) is used for evaluating wetting behavior of the water droplet on the film surface and Equation of State method was selected to determine surface free energy for this study. Equation of state method does not divide the surface tension into different components such as polar, dispersive, acid-base. It is calculated the surfaces’ free energy measuring the contact angle with a single liquid. The surface free energy value was in the range of 15-31 mN/m. Also, the transmittances were determined in the wavelength range between 200 and 1000 nm using the UNICO 4802 UV-Vis double beam spectrophotometer. Transmittances of the produced ITO thin films are greater than %70 in the visible range.

  13. An energy dispersive time resolved liquid surface reflectometer

    CERN Document Server

    Garrett, R F; King, D J; Dowling, T L; Fullagar, W

    2001-01-01

    Two designs are presented for an energy dispersive liquid surface reflectometer with time resolution in the milli-second domain. The designs utilise rotating crystal and Laue analyser optics respectively to energy analyse a pink synchrotron X-ray beam after reflection from a liquid surface. Some performance estimates are presented, along with results of a test experiment using a laboratory source and solid state detector.

  14. Calculation of the surface free energy of fcc copper nanoparticles

    International Nuclear Information System (INIS)

    Jia Ming; Lai Yanqing; Tian Zhongliang; Liu Yexiang

    2009-01-01

    Using molecular dynamics simulations with the modified analytic embedded-atom method we calculate the Gibbs free energy and surface free energy for fcc Cu bulk, and further obtain the Gibbs free energy of nanoparticles. Based on the Gibbs free energy of nanoparticles, we have investigated the heat capacity of copper nanoparticles. Calculation results indicate that the Gibbs free energy and the heat capacity of nanoparticles can be divided into two parts: bulk quantity and surface quantity. The molar heat capacity of the bulk sample is lower compared with the molar heat capacity of nanoparticles, and this difference increases with the decrease in the particle size. It is also observed that the size effect on the thermodynamic properties of Cu nanoparticles is not really significant until the particle is less than about 20 nm. It is the surface atoms that decide the size effect on the thermodynamic properties of nanoparticles

  15. Effect of Lowering Laser Energy on the Surface Roughness of Human Corneal Lenticules in SMILE.

    Science.gov (United States)

    Ji, Yong Woo; Kim, Minseo; Kang, David Sung Yong; Reinstein, Dan Z; Archer, Timothy J; Choi, Jin Young; Kim, Eung Kweon; Lee, Hyung Keun; Seo, Kyoung Yul; Kim, Tae-Im

    2017-09-01

    To determine the effect of lowering femtosecond laser energy on the surface quality of the intrastromal interface during small incision lenticule extraction (SMILE). Forty age- and diopter-matched female patients (40 eyes) with moderate myopia received SMILE with different energy levels (100 to 150 nJ) and fixed spot separation (4.5 μm). Five human corneal lenticules from each energy group were evaluated by atomic force microscopy and scanning electron microscopy (SEM). Both anterior and posterior surface characteristics of the lenticules were assessed. All measurements of surface roughness were approximately three times higher and in the anterior and posterior surface of the lenticules with the energy level of 150 nJ than with 100 nJ (P < .001). Furthermore, atomic force microscopy analysis found that energy differences of 15 nJ or more made a significant difference in surface roughness at energy levels of 115 nJ or higher. Interestingly, there was no significant difference in all roughness values of both surfaces among the 100, 105, and 110 nJ groups. In addition, all values of surface roughness were significantly positively correlated with laser energy for both anterior and posterior surfaces of the lenticule (P < .001). Consistent with atomic force microscopy results, SEM also showed that the SMILE lenticules in the higher laser energy group had more irregular surfaces. Lowering laser energy levels can improve surface quality of the lenticule of SMILE. To achieve better visual outcomes with faster recovery after the procedure, it is recommended to reduce the laser energy to less than 115 nJ at a spot separation of 4.5 μm. [J Refract Surg. 2017;33(9):617-624.]. Copyright 2017, SLACK Incorporated.

  16. Surface solar radiation from geostationary satellites for renewable energy

    Science.gov (United States)

    Laszlo, Istvan; Liu, Hongqing; Heidinger, Andrew; Goldberg, Mitchell

    With the launch of the new Geostationary Operational Environmental Satellite, GOES-R, the US National Oceanic and Atmospheric Administration (NOAA) will begin a new era of geostationary remote sensing. One of its flagship instruments, the Advanced Baseline Imager (ABI), will expand frequency and coverage of multispectral remote sensing of atmospheric and surface properties. Products derived from ABI measurements will primarily be heritage meteorological products (cloud and aerosol properties, precipitation, winds, etc.), but some will be for interdisciplinary use, such as for the solar energy industry. The planned rapid observations (5-15 minutes) from ABI provide an opportunity to obtain information needed for solar energy applications where frequent observations of solar radiation reaching the surface are essential for planning and load management. In this paper we describe a physical, radiative-transfer-based algorithm for the retrieval of surface solar irradiance that uses atmospheric and surface parameters derived independently from multispectral ABI radiances. The algorithm is designed to provide basic radiation budget products (total solar irradiance at the surface), as well as products specifically needed for the solar energy industry (average, midday and clear-sky insolation, clear-sky days, diffuse and direct normal radiation, etc.). Two alternative algorithms, which require less ABI atmosphere and surface products or no explicit knowledge of the surface albedo, are also explored along with their limitations. The accuracy of surface solar radiation retrievals are assessed using long-term MODIS and GOES satellite data and surface measurements at the Surface Radiation (SURFRAD) network.

  17. Intermolecular potential energy surface for CS2 dimer.

    Science.gov (United States)

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

    2011-04-15

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

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

    Science.gov (United States)

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

    2013-08-15

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

  19. Surface Relaxations, Surface Energies and Electronic Structures of BaSnO3 (001) Surfaces: Ab Initio Calculations

    Science.gov (United States)

    Slassi, A.; Hammi, M.; El Rhazouani, O.

    2017-07-01

    The surface relaxations, surface energies and electronic structures of BaO- and SnO2-terminated BaSnO3 (001) surfaces have been studied by employing the first-principles density functional theory. For both terminations, we find that the upper-layer Ba and Sn atoms move inward, whereas upper-layer O atoms move outward from the surface. Moreover, the largest relaxations are occurred on the first-layer atoms of both terminations. The surface rumpling of BaO-terminated BaSnO3 (001) is slightly less than that of the SnO2-terminated BaSnO3 (001) surface. The surface energies show that both terminated surfaces are energetically stable and favorable. Finally, the surface band gap is slightly decreased for the BaO termination, while it is dramatically decreased for the SnO2 termination.

  20. Surface morphology effects in a vibration based triboelectric energy harvester

    Science.gov (United States)

    Nafari, A.; Sodano, H. A.

    2018-01-01

    Despite the abundance of ambient mechanical energy in our environment, it is often neglected and left unused. However, recent studies have demonstrated that mechanical vibrations can be harvested and used to power small wireless electronic devices, such as micro electromechanical sensors (MEMS) and actuators. Most commonly, these energy harvesters convert vibration into electrical energy by utilizing piezoelectric, electromagnetic or electrostatic effects. Recently, triboelectric based energy harvesters have shown to be among the simplest and most cost-effective techniques for scavenging mechanical energy. The basis of triboelectric energy harvesters is the periodic contact and separation of two surfaces with opposite triboelectric properties which results in induced charge flow through an external load. Here, a vibration driven triboelectric nanogenerator (TENG) is fabricated and the effect of micro/nano scale surface modification is studied. The TENG produces electrical energy on the basis of periodic out-of-plane charge separation between gold and polydimethylsiloxane (PDMS) with opposite triboelectric charge polarities. By introducing micro/nano scale surface modifications to the PDMS and gold, the TENG’s power output is further enhanced. This work demonstrates that the morphology of the surfaces in a TENG device is important and by increasing the effective surface area through micro/nano scale modification, the power output of the device can increase by 118%. Moreover, it is shown that unlike many TENGs proposed in the literature, the fabricated device has a high RMS open circuit voltage and short circuit current and can perform for an extended period of time.

  1. Energy efficiency evaluation of hospital building office

    Science.gov (United States)

    Fitriani, Indah; Sangadji, Senot; Kristiawan, S. A.

    2017-01-01

    One of the strategy employed in building design is reducing energy consumption while maintaining the best comfort zone in building indoor climate. The first step to improve office buildings energy performance by evaluating its existing energy usage using energy consumption intensity (Intensitas Konsumsi Energi, IKE) index. Energy evaluation of office building for hospital dr. Sayidiman at Kabupaten Magetan has been carried out in the initial investigation. The office building is operated with active cooling (air conditioning, AC) and use limited daylighting which consumes 14.61 kWh/m2/month. This IKE value is attributed into a slightly inefficient category. Further investigation was carried out by modeling and simulating thermal energy load and room lighting in every building zone using of Ecotect from Autodesk. Three scenarios of building energy and lighting retrofit have been performed simulating representing energy efficiency using cross ventilation, room openings, and passive cooling. The results of the numerical simulation indicate that the third scenario by employing additional windows, reflector media and skylight exhibit the best result and in accordance with SNI 03-6575-2001 lighting standard. Total thermal load of the existing building which includes fabric gains, indirect solar gains, direct solar gains, ventilation fans, internal gains, inter-zonal gains and cooling load were 162,145.40 kWh. Based on the three scenarios, the thermal load value (kWh) obtained was lowest achieved scenario 2 with the thermal value of 117,539.08 kWh.The final results are interpreted from the total energy emissions evaluated using the Ecotect software, the heating and cooling demand value and specific design of the windows are important factors to determine the energy efficiency of the buildings.

  2. Ultralow energy ion beam surface modification of low density polyethylene.

    Science.gov (United States)

    Shenton, Martyn J; Bradley, James W; van den Berg, Jaap A; Armour, David G; Stevens, Gary C

    2005-12-01

    Ultralow energy Ar+ and O+ ion beam irradiation of low density polyethylene has been carried out under controlled dose and monoenergetic conditions. XPS of Ar+-treated surfaces exposed to ambient atmosphere show that the bombardment of 50 eV Ar+ ions at a total dose of 10(16) cm(-2) gives rise to very reactive surfaces with oxygen incorporation at about 50% of the species present in the upper surface layer. Using pure O+ beam irradiation, comparatively low O incorporation is achieved without exposure to atmosphere (approximately 13% O in the upper surface). However, if the surface is activated by Ar+ pretreatment, then large oxygen contents can be achieved under subsequent O+ irradiation (up to 48% O). The results show that for very low energy (20 eV) oxygen ions there is a dose threshold of about 5 x 10(15) cm(-2) before surface oxygen incorporation is observed. It appears that, for both Ar+ and O+ ions in this regime, the degree of surface modification is only very weakly dependent on the ion energy. The results suggest that in the nonequilibrium plasma treatment of polymers, where the ion flux is typically 10(18) m(-2) s(-1), low energy ions (<50 eV) may be responsible for surface chemical modification.

  3. Surface energy and work function of the light actinides

    DEFF Research Database (Denmark)

    Kollár, J.; Vitos, Levente; Skriver, Hans Lomholt

    1994-01-01

    We have calculated the surface energy and work function of the light actinides Fr, Ra, Ac, Th, Pa, U, Np, and Pu by means of a Green's-function technique based on the linear-muffin-tin-orbitals method within the tight-binding representation. In these calculations we apply an energy functional which...

  4. Energy-efficient buildings program evaluations. Volume 2: Evaluation summaries

    Energy Technology Data Exchange (ETDEWEB)

    Lee, A.D.; Mayi, D.; Edgemon, S.D.

    1997-04-01

    This document presents summaries of code and utility building program evaluations reviewed as the basis for the information presented in Energy-Efficient Buildings Program Evaluations, Volume 1: Findings and Recommendations, DOE/EE/OBT-11569, Vol. 1. The main purpose of this volume is to summarize information from prior evaluations of similar programs that may be useful background for designing and conducting an evaluation of the BSGP. Another purpose is to summarize an extensive set of relevant evaluations and provide a resource for program designers, mangers, and evaluators.

  5. Energy loss in grazing proton-surface collisions

    International Nuclear Information System (INIS)

    Juaristi, J.I.; Garcia de Abajo, F.J.

    1994-01-01

    The energy loss of fast protons, with energy E > 100 keV, specularly reflected on a solid surface with glancing angle of incidence of the order of a mrad is analysed on theoretical grounds. Two different contributions can be distinguished: i) energy losses originating from the interaction with the valence band, accounted for through an induced force, and ii) the excitation of electron bound states of the target atoms. The results are compared with available experimental data. (orig.)

  6. Evaluating architecture impact on system energy efficiency.

    Science.gov (United States)

    Yu, Shijie; Yang, Hailong; Wang, Rui; Luan, Zhongzhi; Qian, Depei

    2017-01-01

    As the energy consumption has been surging in an unsustainable way, it is important to understand the impact of existing architecture designs from energy efficiency perspective, which is especially valuable for High Performance Computing (HPC) and datacenter environment hosting tens of thousands of servers. One obstacle hindering the advance of comprehensive evaluation on energy efficiency is the deficient power measuring approach. Most of the energy study relies on either external power meters or power models, both of these two methods contain intrinsic drawbacks in their practical adoption and measuring accuracy. Fortunately, the advent of Intel Running Average Power Limit (RAPL) interfaces has promoted the power measurement ability into next level, with higher accuracy and finer time resolution. Therefore, we argue it is the exact time to conduct an in-depth evaluation of the existing architecture designs to understand their impact on system energy efficiency. In this paper, we leverage representative benchmark suites including serial and parallel workloads from diverse domains to evaluate the architecture features such as Non Uniform Memory Access (NUMA), Simultaneous Multithreading (SMT) and Turbo Boost. The energy is tracked at subcomponent level such as Central Processing Unit (CPU) cores, uncore components and Dynamic Random-Access Memory (DRAM) through exploiting the power measurement ability exposed by RAPL. The experiments reveal non-intuitive results: 1) the mismatch between local compute and remote memory node caused by NUMA effect not only generates dramatic power and energy surge but also deteriorates the energy efficiency significantly; 2) for multithreaded application such as the Princeton Application Repository for Shared-Memory Computers (PARSEC), most of the workloads benefit a notable increase of energy efficiency using SMT, with more than 40% decline in average power consumption; 3) Turbo Boost is effective to accelerate the workload execution

  7. Evaluating architecture impact on system energy efficiency

    Science.gov (United States)

    Yu, Shijie; Wang, Rui; Luan, Zhongzhi; Qian, Depei

    2017-01-01

    As the energy consumption has been surging in an unsustainable way, it is important to understand the impact of existing architecture designs from energy efficiency perspective, which is especially valuable for High Performance Computing (HPC) and datacenter environment hosting tens of thousands of servers. One obstacle hindering the advance of comprehensive evaluation on energy efficiency is the deficient power measuring approach. Most of the energy study relies on either external power meters or power models, both of these two methods contain intrinsic drawbacks in their practical adoption and measuring accuracy. Fortunately, the advent of Intel Running Average Power Limit (RAPL) interfaces has promoted the power measurement ability into next level, with higher accuracy and finer time resolution. Therefore, we argue it is the exact time to conduct an in-depth evaluation of the existing architecture designs to understand their impact on system energy efficiency. In this paper, we leverage representative benchmark suites including serial and parallel workloads from diverse domains to evaluate the architecture features such as Non Uniform Memory Access (NUMA), Simultaneous Multithreading (SMT) and Turbo Boost. The energy is tracked at subcomponent level such as Central Processing Unit (CPU) cores, uncore components and Dynamic Random-Access Memory (DRAM) through exploiting the power measurement ability exposed by RAPL. The experiments reveal non-intuitive results: 1) the mismatch between local compute and remote memory node caused by NUMA effect not only generates dramatic power and energy surge but also deteriorates the energy efficiency significantly; 2) for multithreaded application such as the Princeton Application Repository for Shared-Memory Computers (PARSEC), most of the workloads benefit a notable increase of energy efficiency using SMT, with more than 40% decline in average power consumption; 3) Turbo Boost is effective to accelerate the workload execution

  8. A simulation of laser energy absorption by nanowired surface

    International Nuclear Information System (INIS)

    Vasconcelos, Miguel F.S.; Ramos, Alexandre F.

    2017-01-01

    Despite recent advances on research about laser inertial fusion energy, to increase the portion of energy absorbed by the target's surface from lasers remains as an important challenge. The plasma formed during the initial instants of laser arrival shields the target and prevents the absorption of laser energy by the deeper layers of the material. One strategy to circumvent that effect is the construction of targets whose surfaces are populated with nanowires. The nanowired surfaces have increased absorption of laser energy and constitutes a promising pathway for enhancing laser-matter coupling. In our work we present the results of simulations aiming to investigate how target's geometrical properties might contribute for maximizing laser energy absorption by material. Simulations have been carried out using the software FLASH, a multi-physics platform developed by researchers from the University of Chicago, written in FORTRAN 90 and Python. Different tools for generating target's geometry and analysis of results were developed using Python. Our results show that a nanowired surfaces has an increased energy absorption when compared with non wired surface. The software for visualization developed in this work also allowed an analysis of the spatial dynamics of the target's temperature, electron density, ionization levels and temperature of the radiation emitted by it. (author)

  9. Ab initio Potential Energy Surface for H-H2

    Science.gov (United States)

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

    1993-01-01

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

  10. Elastic layer under axisymmetric indentation and surface energy effects

    Science.gov (United States)

    Intarit, Pong-in; Senjuntichai, Teerapong; Rungamornrat, Jaroon

    2018-04-01

    In this paper, a continuum-based approach is adopted to investigate the contact problem of an elastic layer with finite thickness and rigid base subjected to axisymmetric indentation with the consideration of surface energy effects. A complete Gurtin-Murdoch surface elasticity is employed to consider the influence of surface stresses. The indentation problem of a rigid frictionless punch with arbitrary axisymmetric profiles is formulated by employing the displacement Green's functions, derived with the aid of Hankel integral transform technique. The problem is solved by assuming the contact pressure distribution in terms of a linear combination of admissible functions and undetermined coefficients. Those coefficients are then obtained by employing a collocation technique and an efficient numerical quadrature scheme. The accuracy of proposed solution technique is verified by comparing with existing solutions for rigid indentation on an elastic half-space. Selected numerical results for the indenters with flat-ended cylindrical and paraboloidal punch profiles are presented to portray the influence of surface energy effects on elastic fields of the finite layer. It is found that the presence of surface stresses renders the layer stiffer, and the size-dependent behavior of elastic fields is observed in the present solutions. In addition, the surface energy effects become more pronounced with smaller contact area; thus, the influence of surface energy cannot be ignored in the analysis of indentation problem especially when the indenter size is very small such as in the case of nanoindentation.

  11. Fracture surface energy of the Punchbowl fault, San Andreas system.

    Science.gov (United States)

    Chester, Judith S; Chester, Frederick M; Kronenberg, Andreas K

    2005-09-01

    Fracture energy is a form of latent heat required to create an earthquake rupture surface and is related to parameters governing rupture propagation and processes of slip weakening. Fracture energy has been estimated from seismological and experimental rock deformation data, yet its magnitude, mechanisms of rupture surface formation and processes leading to slip weakening are not well defined. Here we quantify structural observations of the Punchbowl fault, a large-displacement exhumed fault in the San Andreas fault system, and show that the energy required to create the fracture surface area in the fault is about 300 times greater than seismological estimates would predict for a single large earthquake. If fracture energy is attributed entirely to the production of fracture surfaces, then all of the fracture surface area in the Punchbowl fault could have been produced by earthquake displacements totalling <1 km. But this would only account for a small fraction of the total energy budget, and therefore additional processes probably contributed to slip weakening during earthquake rupture.

  12. Surface energy budget and turbulent fluxes at Arctic terrestrial sites

    Science.gov (United States)

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

    2017-04-01

    Determination of the surface energy budget (SEB) and all SEB components at the air-surface interface are required in a wide variety of applications including atmosphere-land/snow simulations and validation of the surface fluxes predicted by numerical models over different spatial and temporal scales. Here, comparisons of net surface energy budgets at two Arctic sites are made using long-term near-continuous measurements of hourly averaged surface fluxes (turbulent, radiation, and soil conduction). One site, Eureka (80.0 N; Nunavut, Canada), is located in complex topography near a fjord about 200 km from the Arctic Ocean. The other site, Tiksi (71.6 N; Russian East Siberia), is located on a relatively flat coastal plain less than 1 km from the shore of Tiksi Bay, a branch of the Arctic Ocean. We first analyzed diurnal and annual cycles of basic meteorological parameters and key SEB components at these locations. Although Eureka and Tiksi are located on different continents and at different latitudes, the annual course of the surface meteorology and SEB components are qualitatively similar. Surface energy balance closure is a formulation of the conservation of energy principle. Our direct measurements of energy balance for both Arctic sites show that the sum of the turbulent sensible and latent heat fluxes and the ground (conductive) heat flux systematically underestimate the net radiation by about 25-30%. This lack of energy balance closure is a fundamental and pervasive problem in micrometeorology. We discuss a variety of factors which may be responsible for the lack of SEB closure. In particular, various storage terms (e.g., air column energy storage due to radiative and/or sensible heat flux divergence, ground heat storage above the soil flux plate, energy used in photosynthesis, canopy biomass heat storage). For example, our observations show that the photosynthesis storage term is relatively small (about 1-2% of the net radiation), but about 8-12% of the

  13. Vacuum boilers developed heating surfaces technic and economic efficiency evaluation

    Science.gov (United States)

    Slobodina, E. N.; Mikhailov, A. G.; Semenov, B. A.

    2018-01-01

    The vacuum boilers as manufacturing proto types application analysis was carried out, the possible directions for the heating surfaces development are identified with a view to improving the energy efficiency. Economic characteristics to evaluate the vacuum boilers application efficiency (Net Discounted Income (NDI), Internal Rate of Return (IRR), Profitability Index (PI) and Payback Period) are represented. The given type boilers application technic and economic efficiency criteria were established. NDI changing curves depending on the finning coefficient and operating pressure were obtained as a result of the conducted calculation studies.

  14. Surface properties of Ti-6Al-4V alloy part I: Surface roughness and apparent surface free energy.

    Science.gov (United States)

    Yan, Yingdi; Chibowski, Emil; Szcześ, Aleksandra

    2017-01-01

    Titanium (Ti) and its alloys are the most often used implants material in dental treatment and orthopedics. Topography and wettability of its surface play important role in film formation, protein adhesion, following osseointegration and even duration of inserted implant. In this paper, we prepared Ti-6Al-4V alloy samples using different smoothing and polishing materials as well the air plasma treatment, on which contact angles of water, formamide and diiodomethane were measured. Then the apparent surface free energy was calculated using four different approaches (CAH, LWAB, O-W and Neumann's Equation of State). From LWAB approach the components of surface free energy were obtained, which shed more light on the wetting properties of samples surface. The surface roughness of the prepared samples was investigated with the help of optical profilometer and AFM. It was interesting whether the surface roughness affects the apparent surface free energy. It was found that both polar interactions the electron donor parameter of the energy and the work of water adhesion increased with decreasing roughness of the surfaces. Moreover, short time plasma treatment (1min) caused decrease in the surface hydrophilic character, while longer time (10min) treatment caused significant increase in the polar interactions and the work of water adhesion. Although Ti-6Al-4V alloy has been investigated many times, to our knowledge, so far no paper has been published in which surface roughness and changes in the surface free energy of the alloy were compared in the quantitative way in such large extent. This novel approach deliver better knowledge about the surface properties of differently smoothed and polished samples which may be helpful to facilitate cell adhesion, proliferation and mineralization. Therefore the results obtained present also potentially practical meaning. Copyright © 2016 Elsevier B.V. All rights reserved.

  15. A Surface Temperature Initiated Closure (STIC) for surface energy balance fluxes

    DEFF Research Database (Denmark)

    Mallick, Kaniska; Jarvis, Andrew J.; Boegh, Eva

    2014-01-01

    The use of Penman–Monteith (PM) equation in thermal remote sensing based surface energy balance modeling is not prevalent due to the unavailability of any direct method to integrate thermal data into the PM equation and due to the lack of physical models expressing the surface (or stomatal) and b...

  16. Surface energies of metals in both liquid and solid states

    International Nuclear Information System (INIS)

    Aqra, Fathi; Ayyad, Ahmed

    2011-01-01

    Although during the last years one has seen a number of systematic studies of the surface energies of metals, the aim and the scientific meaning of this research is to establish a simple and a straightforward theoretical model to calculate accurately the mechanical and the thermodynamic properties of metal surfaces due to their important application in materials processes and in the understanding of a wide range of surface phenomena. Through extensive theoretical calculations of the surface tension of most of the liquid metals, we found that the fraction of broken bonds in liquid metals (f) is constant which is equal to 0.287. Using our estimated f value, the surface tension (γ m ), surface energy (γ SV ), surface excess entropy (-dγ/dT), surface excess enthalpy (H s ), coefficient of thermal expansion (α m and α b ), sound velocity (c m ) and its temperature coefficient (-dc/dT) have been calculated for more than sixty metals. The results of the calculated quantities agree well with available experimental data.

  17. Surface energies of metals in both liquid and solid states

    Energy Technology Data Exchange (ETDEWEB)

    Aqra, Fathi, E-mail: fathiaqra2009@hotmail.com [Department of Chemistry, Faculty of Science and Technology, Hebron University, P.O. Box 40, Hebron, West Bank, Palestine (Country Unknown); Ayyad, Ahmed [Department of Chemistry, Faculty of Science and Technology, Hebron University, P.O. Box 40, Hebron, West Bank, Palestine (Country Unknown)

    2011-05-15

    Although during the last years one has seen a number of systematic studies of the surface energies of metals, the aim and the scientific meaning of this research is to establish a simple and a straightforward theoretical model to calculate accurately the mechanical and the thermodynamic properties of metal surfaces due to their important application in materials processes and in the understanding of a wide range of surface phenomena. Through extensive theoretical calculations of the surface tension of most of the liquid metals, we found that the fraction of broken bonds in liquid metals (f) is constant which is equal to 0.287. Using our estimated f value, the surface tension ({gamma}{sub m}), surface energy ({gamma}{sub SV}), surface excess entropy (-d{gamma}/dT), surface excess enthalpy (H{sub s}), coefficient of thermal expansion ({alpha}{sub m} and {alpha}{sub b}), sound velocity (c{sub m}) and its temperature coefficient (-dc/dT) have been calculated for more than sixty metals. The results of the calculated quantities agree well with available experimental data.

  18. Self-energies and the interactions of particles with surfaces

    International Nuclear Information System (INIS)

    Manson, J.R.; Ritchie, R.H.; Echenique, P.M.; Gras-Marti, A.

    1987-01-01

    We have in this paper reviewed the method of treating many-body problems by means of an effective interaction self-energy. We have developed an alternatvie approach to the self-energy which is simpler and more straight-forward than standard methods, and we have illustrated its use with two examples of a charge interacting with a metal surface. In each case the self-energy produces the classical image potential together with corrections due to quantum mechanical effects. This method has also been successfully applied to the problem of an atom interacting with a surface. Corrections to the Van der Waals dispersion force are obtained, and via the non-conservative imaginary parts to /summation//sub i/(z) we discuss transition rates and energy exchange. 14 refs., 1 fig

  19. Near-surface climate and surface energy budget of Larsen C ice shelf, Antarctic Peninsula

    NARCIS (Netherlands)

    Kuipers Munneke, P.|info:eu-repo/dai/nl/304831891; van den Broeke, M.R.|info:eu-repo/dai/nl/073765643; King, J.C.; Gray, T.; Reijmer, C.H.|info:eu-repo/dai/nl/229345956

    2012-01-01

    Data collected by two automatic weather stations (AWS) on the Larsen C ice shelf, Antarctica, between 22 January 2009 and 1 February 2011 are analyzed and used as input for a model that computes the surface energy budget (SEB), which includes melt energy. The two AWSs are separated by about 70 km in

  20. Near-surface climate and surface energy budget of Larsen C ice shelf, Antarctic Peninsula

    NARCIS (Netherlands)

    Kuipers Munneke, P.; van den Broeke, Michiel; King, J.C.; Gray, T.; Reijmer, C.H.

    2011-01-01

    Data collected by two automatic weather stations (AWS) on the Larsen C ice shelf, Antarctica, between 22 January 2009 and 1 February 2011 are analyzed and used as input for a model that computes the surface energy budget (SEB), including melt energy. The two AWSs are separated by about 70 km in the

  1. Calculated surface-energy anomaly in the 3d metals

    DEFF Research Database (Denmark)

    Aldén, M.; Skriver, Hans Lomholt; Mirbt, S.

    1992-01-01

    Local-spin-density theory and a Green’s-function technique based on the linear muffin-tin orbitals method have been used to calculate the surface energy of the 3d metals. The theory explains the variation of the values derived from measurements of the surface tension of liquid metals including...... the pronounced anomaly occurring between vanadium and nickel in terms of a decrease in the d contribution caused by spin polarization....

  2. Urban Surface Radiative Energy Budgets Determined Using Aircraft Scanner Data

    Science.gov (United States)

    Luvall, Jeffrey C.; Quattrochi, Dale A.; Rickman, Doug L.; Estes, Maury G.; Arnold, James E. (Technical Monitor)

    2002-01-01

    It is estimated that by the year 2025, 80% of the world's population will live in cities. The extent of these urban areas across the world can be seen in an image of city lights from the Defense Meteorological Satellite Program. In many areas of North America and Europe, it is difficult to separate individual cities because of the dramatic growth and sprawl of urbanized areas. This conversion of the natural landscape vegetation into man-made urban structures such as roads and buildings drastically alter the regional surface energy budgets, hydrology, precipitation patterns, and meteorology. One of the earliest recognized and measured phenomena of urbanization is the urban heat island (UHI) which was reported as early as 1833 for London and 1862 for Paris. The urban heat island results from the energy that is absorbed by man-made materials during the day and is released at night resulting in the heating of the air within the urban area. The magnitude of the air temperature difference between the urban and surrounding countryside is highly dependent on the structure of the urban area, amount of solar immolation received during the day, and atmospheric conditions during the night. These night time air temperature differences can be in the range of 2 to 5 C. or greater. Although day time air temperature differences between urban areas and the countryside exists during the day, atmospheric mixing and stability reduce the magnitude. This phenomena is not limited to large urban areas, but also occurs in smaller metropolitan areas. The UHI has significant impacts on the urban air quality, meteorology, energy use, and human health. The UPI can be mitigated through increasing the amount of vegetation and modification of urban surfaces using high albedo materials for roofs and paved surfaces. To understand why the urban heat island phenomenon exists it is useful to define the surface in terms of the surface energy budget. Surface temperature and albedo is a major component of

  3. Tantalum surface oxidation: Bond relaxation, energy entrapment, and electron polarization

    Energy Technology Data Exchange (ETDEWEB)

    Guo, Yongling [Key Laboratory of Low-Dimensional Materials and Application Technologies (Ministry of Education), Hunan Provincial Key Laboratory of Thin Film Materials and Devices, Faculty of Materials Science and Engineering, Xiangtan University, Hunan 411105 (China); Bo, Maolin [Yangtze Normal University, College of Mechanical and Electrical Engineering, Chongqing 408100 (China); Wang, Yan [School of Information and Electronic Engineering, Hunan University of Science and Technology, Hunan 411201 (China); Liu, Yonghui [Key Laboratory of Low-Dimensional Materials and Application Technologies (Ministry of Education), Hunan Provincial Key Laboratory of Thin Film Materials and Devices, Faculty of Materials Science and Engineering, Xiangtan University, Hunan 411105 (China); Sun, Chang Q. [NOVITAS, School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798 (Singapore); Huang, Yongli, E-mail: huangyongli@xtu.edu.cn [Key Laboratory of Low-Dimensional Materials and Application Technologies (Ministry of Education), Hunan Provincial Key Laboratory of Thin Film Materials and Devices, Faculty of Materials Science and Engineering, Xiangtan University, Hunan 411105 (China)

    2017-02-28

    Graphical abstract: The bond, electron and energy relaxation result in core level energy shift, local densification, quantum entrapment and electron polarization of bonding electrons. - Highlights: • Increasing the oxygen coverage lowers the adsorption energy associated with lattice reconstruction. • Electrons transfer from Ta surface atoms to sp-hydrated oxygen, creating dipole moment that decreases the work function. • Oxygen chemisorption modified valence density-of-state (DOS) for Ta with four excessive DOS features: O−Ta bonding, O{sup 2−} lone pairs, Ta+ electron holes, and the lone-pair polarized Ta dipoles. • The bond, electron and energy relaxation between surface undercoordinated atoms are responsible for core level energy shift, local densification, quantum entrapment and electron polarization of bonding electrons. - Abstract: A combination of photoelectron spectrometric analysis and density functional theory calculations has enabled reconciliation of the bond-energy-electron relaxation for the Ta(100, 110, 111) surfaces chemisorbed with oxygen at different coverages. Results show that increasing oxygen coverage lowers the adsorption energy associated with lattice reconstruction. Valence electrons transfer from Ta surface atoms to oxygen to create four excessive DOS features in terms of O−Ta bonding, lone pairs of oxygen, Ta{sup +} electron holes, and polarized Ta dipoles. Oxidation proceeds in the following dynamics: oxygen gets electrons from two neighboring Ta atoms left behind Ta{sup +}; the sp{sup 3}-orbital hybridization takes place with additional two electron lone pairs, the lone pairs polarize the other two Ta neighbors becoming dipoles. X-ray photoelectron spectral analysis results in the 4f binding energy of an isolated Ta atom and its shift upon bond formation and oxidation. Exercises provide not only a promising numerical approach for the quantitative information about the bond and electronic behavior but also consistent

  4. Free energy surfaces in the superconducting mixed state

    Science.gov (United States)

    Finnemore, D. K.; Fang, M. M.; Bansal, N. P.; Farrell, D. E.

    1989-01-01

    The free energy surface for Tl2Ba2Ca2Cu3O1O has been measured as a function of temperature and magnetic field to determine the fundamental thermodynamic properties of the mixed state. The change in free energy, G(H)-G(O), is found to be linear in temperature over a wide range indicating that the specific heat is independent of field.

  5. Surface Passivation and Junction Formation Using Low Energy Hydrogen Implants

    Science.gov (United States)

    Fonash, S. J.

    1985-01-01

    New applications for high current, low energy hydrogen ion implants on single crystal and polycrystal silicon grain boundaries are discussed. The effects of low energy hydrogen ion beams on crystalline Si surfaces are considered. The effect of these beams on bulk defects in crystalline Si is addressed. Specific applications of H+ implants to crystalline Si processing are discussed. In all of the situations reported on, the hydrogen beams were produced using a high current Kaufman ion source.

  6. Evaluating Internal Technological Capabilities in Energy Companies

    Directory of Open Access Journals (Sweden)

    Mingook Lee

    2016-03-01

    Full Text Available As global competition increases, technological capability must be evaluated objectively as one of the most important factors for predominance in technological competition and to ensure sustainable business excellence. Most existing capability evaluation models utilize either quantitative methods, such as patent analysis, or qualitative methods, such as expert panels. Accordingly, they may be in danger of reflecting only fragmentary aspects of technological capabilities, and produce inconsistent results when different models are used. To solve these problems, this paper proposes a comprehensive framework for evaluating technological capabilities in energy companies by considering the complex properties of technological knowledge. For this purpose, we first explored various factors affecting technological capabilities and divided the factors into three categories: individual, organizational, and technology competitiveness. Second, we identified appropriate evaluation items for each category to measure the technological capability. Finally, by using a hybrid approach of qualitative and quantitative methods, we developed an evaluation method for each item and suggested a method to combine the results. The proposed framework was then verified with an energy generation and supply company to investigate its practicality. As one of the earliest attempts to evaluate multi-faceted technological capabilities, the suggested model can support technology and strategic planning.

  7. Surface energy and wettability of polymers light-cured by two different systems.

    Science.gov (United States)

    Namen, Fatima Maria; Ferrandini, Eduardo; Galan Junior, João

    2011-10-01

    This study evaluated the surface energy and wettability of composite resins polymerized by different light-curing units to ascertain the good wetting of tooth surfaces to achieve adhesion. Filtek Z350 (3M ESPE), Admira (VOCO) and Grandio (VOCO) resins were selected for the testing procedures. The resins were light cured using LED and Halogen devices. Contact angles were measured goniometrically (Ramé-Hart F100) using water and glycerol as test liquids. Surface energy values were calculated with a software program (DROPimage Standard) that uses the harmonic mean method applied to the acid-base theory. The data were analyzed statistically by ANOVA and Tukey's test with a significance of 0.05. No statistically significant differences were found between the values of surface energy. The measured wettability differed statistically in most combinations as a function of the type of composite resin, type of light-curing unit, and the test liquid.

  8. Energy Education Incentives: Evaluating the Impact of Consumer Energy Kits

    Science.gov (United States)

    Kirby, Sarah D.; Guin, Autumn; Langham, Laura

    2015-01-01

    Measuring the energy and environmental impact of residential energy education efforts is difficult. The E-Conservation residential energy management program uses consumer energy kits to document the impact of energy-efficient improvements. The consumer energy kit provides an incentive for individuals attending energy education workshop, helps…

  9. Nanometer polymer surface features: the influence on surface energy, protein adsorption and endothelial cell adhesion

    Science.gov (United States)

    Carpenter, Joseph; Khang, Dongwoo; Webster, Thomas J.

    2008-12-01

    Current small diameter (lactic-co-glycolic acid) (PLGA) surfaces elevated endothelial cell adhesion, proliferation, and extracellular matrix synthesis when compared to nanosmooth surfaces. Nonetheless, these studies failed to address the importance of lateral and vertical surface feature dimensionality coupled with surface free energy; nor did such studies elicit an optimum specific surface feature size for promoting endothelial cell adhesion. In this study, a series of highly ordered nanometer to submicron structured PLGA surfaces of identical chemistry were created using a technique employing polystyrene nanobeads and poly(dimethylsiloxane) (PDMS) molds. Results demonstrated increased endothelial cell adhesion on PLGA surfaces with vertical surface features of size less than 18.87 nm but greater than 0 nm due to increased surface energy and subsequently protein (fibronectin and collagen type IV) adsorption. Furthermore, this study provided evidence that the vertical dimension of nanometer surface features, rather than the lateral dimension, is largely responsible for these increases. In this manner, this study provides key design parameters that may promote vascular graft efficacy.

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

    Indian Academy of Sciences (India)

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

  11. Surface segregation energies in transition-metal alloys

    DEFF Research Database (Denmark)

    Ruban, Andrei; Skriver, Hans Lomholt; Nørskov, Jens Kehlet

    1999-01-01

    We present a database of 24 x 24 surface segregation energies of single transition metal impurities in transition-metal hosts obtained by a Green's-function linear-muffin-tin-orbitals method in conjunction with the coherent potential and atomic sphere approximations including a multipole correction...

  12. Inelastic surface vibrations versus energy-dependent nucleus ...

    Indian Academy of Sciences (India)

    Abstract. Limitations of the static Woods–Saxon potential and the applicability of the energy- dependent Woods–Saxon potential (EDWSP) model within the framework of one-dimensional. Wong formula to explore the sub-barrier fusion data are highlighted. The inelastic surface exci- tations of the fusing nuclei are found to ...

  13. Soil heat flux and day time surface energy balance closure

    Indian Academy of Sciences (India)

    Soil heat flux is an important input component of surface energy balance. Estimates of soil heat flux were made in the year 2008 using soil temperature data at Astronomical Observatory, Thiruvananthapuram, south Kerala. Hourly values of soil heat flux from 00 to 24 LST are presented for selected days typical of the winter, ...

  14. The evaporative fraction as a measure of surface energy partitioning

    Energy Technology Data Exchange (ETDEWEB)

    Nichols, W.E. [Pacific Northwest Lab., Richland, WA (United States); Cuenca, R.H. [Oregon State Univ., Corvallis, OR (United States)

    1990-12-31

    The evaporative fraction is a ratio that expresses the proportion of turbulent flux energy over land surfaces devoted to evaporation and transpiration (evapotranspiration). It has been used to characterize the energy partition over land surfaces and has potential for inferring daily energy balance information based on mid-day remote sensing measurements. The HAPEX-MOBILHY program`s SAMER system provided surface energy balance data over a range of agricultural crops and soil types. The databases from this large-scale field experiment was analyzed for the purpose of studying the behavior and daylight stability of the evaporative fraction in both ideal and general meteorological conditions. Strong linear relations were found to exist between the mid-day evaporative fraction and the daylight mean evaporative fraction. Statistical tests however rejected the hypothesis that the two quantities were equal. The relations between the evaporative fraction and the surface soil moisture as well as soil moisture in the complete vegetation root zone were also explored.

  15. The evaporative fraction as a measure of surface energy partitioning

    Energy Technology Data Exchange (ETDEWEB)

    Nichols, W.E. (Pacific Northwest Lab., Richland, WA (United States)); Cuenca, R.H. (Oregon State Univ., Corvallis, OR (United States))

    1990-01-01

    The evaporative fraction is a ratio that expresses the proportion of turbulent flux energy over land surfaces devoted to evaporation and transpiration (evapotranspiration). It has been used to characterize the energy partition over land surfaces and has potential for inferring daily energy balance information based on mid-day remote sensing measurements. The HAPEX-MOBILHY program's SAMER system provided surface energy balance data over a range of agricultural crops and soil types. The databases from this large-scale field experiment was analyzed for the purpose of studying the behavior and daylight stability of the evaporative fraction in both ideal and general meteorological conditions. Strong linear relations were found to exist between the mid-day evaporative fraction and the daylight mean evaporative fraction. Statistical tests however rejected the hypothesis that the two quantities were equal. The relations between the evaporative fraction and the surface soil moisture as well as soil moisture in the complete vegetation root zone were also explored.

  16. Inelastic surface vibrations versus energy-dependent nucleus ...

    Indian Academy of Sciences (India)

    Limitations of the static Woods–Saxon potential and the applicability of the energy dependent Woods–Saxon potential (EDWSP) model within the framework of one-dimensional Wong formula to explore the sub-barrier fusion data are highlighted. The inelastic surface excitations of the fusing nuclei are found to be ...

  17. Effect of Collagen Matrix Saturation on the Surface Free Energy of Dentin using Different Agents.

    Science.gov (United States)

    de Almeida, Leopoldina de Fátima Dantas; Souza, Samilly Evangelista; Sampaio, Aline Araújo; Cavalcanti, Yuri Wanderley; da Silva, Wander José; Del Bel Cur, Altair A; Hebling, Josimeri

    2015-07-01

    The surface free energy of conditioned-dentin is one of the factors that interfere with monomeric infiltration of the interfibrillar spaces. Saturation of the tooth matrix with different substances may modulate this energy and, consequently, the wettability of the dentin. To evaluate the influence of different substances used to saturate conditioned-dentin on surface free energy (SFE) of this substrate. Dentin blocks (4 × 7 × 1 mm, n = 6/ group), obtained from the roots of bovine incisors, were etched using phosphoric acid for 15 seconds, rinsed and gently dried. The surfaces were treated for 60 seconds with: ultra-purified water (H20-control); ethanol (EtOH), acetone (ACT), chlorhexidine (CHX), ethylenediaminetetraacetic acid (EDTA); or sodium hypochlorite (NaOCl). The tooth surfaces were once again dried with absorbent paper and prepared for SFE evaluation using three standards: water, formamide and bromonaphthalene. Analysis of variance (ANOVA) and Dunnet's tests (a = 0.05) were applied to the data. Ethylenediaminetetraacetic acid was the only substance that caused a change to the contact angle for the standards water and formamide, while only EtOH influenced the angles formed between formamide and the dentin surface. None of the substances exerted a significant effect for bromonaphtha-lene. In comparison to the control, only EDTA and NaOCl altered both polar components of the SFE. Total SFE was increased by saturation of the collagen matrix by EDTA and reduced when NaOCl was used. Saturation of the collagen matrix by EDTA and EtOH changed the surface free energy of the dentin. In addition, the use of NaOCl negatively interfered with the properties evaluated. The increase of surface free energy and wettability of the dentin surface would allow higher penetration of the the adhesive system, which would be of importance to the clinical success of resin-dentin union.

  18. Summertime influences of tidal energy advection on the surface energy balance in a mangrove forest

    Directory of Open Access Journals (Sweden)

    J. G. Barr

    2013-01-01

    Full Text Available Mangrove forests are ecosystems susceptible to changing water levels and temperatures due to climate change as well as perturbations resulting from tropical storms. Numerical models can be used to project mangrove forest responses to regional and global environmental changes, and the reliability of these models depends on surface energy balance closure. However, for tidal ecosystems, the surface energy balance is complex because the energy transport associated with tidal activity remains poorly understood. This study aimed to quantify impacts of tidal flows on energy dynamics within a mangrove ecosystem. To address the research objective, an intensive 10-day study was conducted in a mangrove forest located along the Shark River in the Everglades National Park, FL, USA. Forest–atmosphere turbulent exchanges of energy were quantified with an eddy covariance system installed on a 30-m-tall flux tower. Energy transport associated with tidal activity was calculated based on a coupled mass and energy balance approach. The mass balance included tidal flows and accumulation of water on the forest floor. The energy balance included temporal changes in enthalpy, resulting from tidal flows and temperature changes in the water column. By serving as a net sink or a source of available energy, flood waters reduced the impact of high radiational loads on the mangrove forest. Also, the regression slope of available energy versus sink terms increased from 0.730 to 0.754 and from 0.798 to 0.857, including total enthalpy change in the water column in the surface energy balance for 30-min periods and daily daytime sums, respectively. Results indicated that tidal inundation provides an important mechanism for heat removal and that tidal exchange should be considered in surface energy budgets of coastal ecosystems. Results also demonstrated the importance of including tidal energy advection in mangrove biophysical models that are used for predicting ecosystem

  19. Exploring the free energy surfaces of clusters using reconnaissance metadynamics

    Science.gov (United States)

    Tribello, Gareth A.; Cuny, Jérôme; Eshet, Hagai; Parrinello, Michele

    2011-09-01

    A new approach is proposed for exploring the low-energy structures of small to medium-sized aggregates of atoms and molecules. This approach uses the recently proposed reconnaissance metadynamics method [G. A. Tribello, M. Ceriotti, and M. Parrinello. Proc. Natl. Acad. Sci. U.S.A. 107(41), 17509 (2010), 10.1073/pnas.1011511107] in tandem with collective variables that describe the average structure of the coordination sphere around the atoms/molecules. We demonstrate this method on both Lennard-Jones and water clusters and show how it is able to quickly find the global minimum in the potential energy surface, while exploring the finite temperature free energy surface.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-01-14

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

  1. Energy evaluations, graphite corrosion in Bugey I

    International Nuclear Information System (INIS)

    Brisbois, J.; Fiche, C.

    1967-01-01

    Bugey I presents a problem of radiolytic corrosion of the graphite by the CO 2 under pressure at high temperature. This report aims to evaluate the energy transferred to the gas by a Bugey I core cell, in normal operating conditions. The water, the carbon oxides and the hydrogen formed quantities are deduced as the consumed graphite and methane. Experimental studies are realized in parallel to validate the presented results. (A.L.B.)

  2. Comparison of surface energy fluxes with satellite-derived surface energy flux estimates from a shrub-steppe

    Energy Technology Data Exchange (ETDEWEB)

    Kirkham, Randy R. [Univ. of Washington, Seattle, WA (United States)

    1993-12-01

    This thesis relates the components of the surface energy balance (i.e., net radiation, sensible and latent heat flux densities, soil heat flow) to remotely sensed data for native vegetation in a semi-arid environment. Thematic mapper data from Landsat 4 and 5 were used to estimate net radiation, sensible heat flux (H), and vegetation amount. Several sources of ground truth were employed. They included soil water balance using the neutron thermalization method and weighing lysimeters, and the measurement of energy fluxes with the Bowen ratio energy balance (BREB) technique. Sensible and latent heat flux were measured at four sites on the U.S. Department of Energy`s Hanford Site using a weighing lysimeter and/or BREB stations. The objective was to calibrate an aerodynamic transport equation that related H to radiant surface temperature. The transport equation was then used with Landsat thermal data to generate estimates of H and compare these estimates against H values obtained with BREB/lysimeters at the time of overflight. Landsat and surface meteorologic data were used to estimate the radiation budget terms at the surface. Landsat estimates of short-wave radiation reflected from the surface correlate well with reflected radiation measured using inverted Eppley pyranometers. Correlation of net radiation estimates determined from satellite data, pyranometer, air temperature, and vapor pressure compared to net radiometer values obtained at time of overflight were excellent for a single image, but decrease for multiple images. Soil heat flux, GT, is a major component of the energy balance in arid systems and G{sub T} generally decreases as vegetation cover increases. Normalized difference vegetation index (NDVI) values generated from Landsat thermatic mapper data were representative of field observations of the presence of green vegetation, but it was not possible to determine a single relationship between NDVI and GT for all sites.

  3. DETERMINATION OF IMPORTANCE EVALUATION FOR THE SURFACE EXPLORATORY STUDIES FACILITY

    Energy Technology Data Exchange (ETDEWEB)

    C.J. Byrne

    2000-07-25

    This DIE applies to the surface facilities component of the Yucca Mountain Site Characterization Project (W) ESF. The ESF complex-including surface and subsurface accommodations--encompasses an area that is approximately six miles wide and nine miles long (approximately 30,000 acres total) (United States Department of Energy [DOE] 1997, p. 9.04). It is located on federally withdrawn lands, near the southwest border of the Nevada Test Site (NTS) in southern Nevada (DOE 1997, p. 9.04). Site characterization activities are conducted within the subsurface ESF to obtain the information necessary to determine whether the Yucca Mountain Site is suitable as a geologic repository for spent nuclear fuel and high-level radioactive waste. Most ESF surface facilities are located within the Conceptual Controlled Area Boundary (CCAB) (DOE 1997, p. 9.04), with the exception of the southeastern most portions of the H-Road and the Water Supply System. Various SBT activities are also conducted throughout the Yucca Mountain region as a part of the overall site-characterization effort. In general, the DIE for SBT Activities (Civilian Radioactive Waste Management System [CRWMS] Management and Operating Contractor [M&O] 1998a) evaluates activities associated with SBT. Potential test-to-test interference and waste isolation impacts associated with SBT activities are also evaluated in CRWMS M&O (1998a).

  4. DETERMINATION OF IMPORTANCE EVALUATION FOR THE SURFACE EXPLORATORY STUDIES FACILITY

    International Nuclear Information System (INIS)

    C.J. Byrne

    2000-01-01

    This DIE applies to the surface facilities component of the Yucca Mountain Site Characterization Project (W) ESF. The ESF complex-including surface and subsurface accommodations--encompasses an area that is approximately six miles wide and nine miles long (approximately 30,000 acres total) (United States Department of Energy [DOE] 1997, p. 9.04). It is located on federally withdrawn lands, near the southwest border of the Nevada Test Site (NTS) in southern Nevada (DOE 1997, p. 9.04). Site characterization activities are conducted within the subsurface ESF to obtain the information necessary to determine whether the Yucca Mountain Site is suitable as a geologic repository for spent nuclear fuel and high-level radioactive waste. Most ESF surface facilities are located within the Conceptual Controlled Area Boundary (CCAB) (DOE 1997, p. 9.04), with the exception of the southeastern most portions of the H-Road and the Water Supply System. Various SBT activities are also conducted throughout the Yucca Mountain region as a part of the overall site-characterization effort. In general, the DIE for SBT Activities (Civilian Radioactive Waste Management System [CRWMS] Management and Operating Contractor [M andO] 1998a) evaluates activities associated with SBT. Potential test-to-test interference and waste isolation impacts associated with SBT activities are also evaluated in CRWMS M andO (1998a)

  5. Rotational Energy Transfer of N2 Gas Determined Using a New Ab Initio Potential Energy Surface

    Science.gov (United States)

    Huo, Winifred M.; Stallcop, James R.; Partridge, Harry; Langhoff, Stephen R. (Technical Monitor)

    1997-01-01

    Rotational energy transfer between two N2 molecules is a fundamental process of some importance. Exchange is expected to play a role, but its importance is somewhat uncertain. Rotational energy transfer cross sections of N2 also have applications in many other fields including modeling of aerodynamic flows, laser operations, and linewidth analysis in nonintrusive laser diagnostics. A number of N2-N2 rigid rotor potential energy surface (PES) has been reported in the literature.

  6. Resource Evaluation and Energy Production Estimate for a Tidal Energy Conversion Installation using Acoustic Flow Measurements

    Science.gov (United States)

    Gagnon, Ian; Baldwin, Ken; Wosnik, Martin

    2015-11-01

    The ``Living Bridge'' project plans to install a tidal turbine at Memorial Bridge in the Piscataqua River at Portsmouth, NH. A spatio-temporal tidal energy resource assessment was performed using long term bottom-deployed Acoustic Doppler Current Profilers ADCP. Two locations were evaluated: at the planned deployment location and mid-channel. The goal was to determine the amount of available kinetic energy that can be converted into usable electrical energy on the bridge. Changes in available kinetic energy with ebb/flood and spring/neap tidal cycles and electrical energy demand were analyzed. A system model is used to calculate the net energy savings using various tidal generator and battery bank configurations. Differences in the tidal characteristics between the two measurement locations are highlighted. Different resource evaluation methodologies were also analyzed, e.g., using a representative ADCP ``bin'' vs. a more refined, turbine-geometry-specific methodology, and using static bin height vs. bin height that move w.r.t. the free surface throughout a tidal cycle (representative of a bottom-fixed or floating turbine deployment, respectively). ADCP operating frequencies and bin sizes affect the standard deviation of measurements, and measurement uncertainties are evaluated. Supported by NSF-IIP grant 1430260.

  7. Triangulating Nucleic Acid Conformations Using Multicolor Surface Energy Transfer.

    Science.gov (United States)

    Riskowski, Ryan A; Armstrong, Rachel E; Greenbaum, Nancy L; Strouse, Geoffrey F

    2016-02-23

    Optical ruler methods employing multiple fluorescent labels offer great potential for correlating distances among several sites, but are generally limited to interlabel distances under 10 nm and suffer from complications due to spectral overlap. Here we demonstrate a multicolor surface energy transfer (McSET) technique able to triangulate multiple points on a biopolymer, allowing for analysis of global structure in complex biomolecules. McSET couples the competitive energy transfer pathways of Förster Resonance Energy Transfer (FRET) with gold-nanoparticle mediated Surface Energy Transfer (SET) in order to correlate systematically labeled points on the structure at distances greater than 10 nm and with reduced spectral overlap. To demonstrate the McSET method, the structures of a linear B-DNA and a more complex folded RNA ribozyme were analyzed within the McSET mathematical framework. The improved multicolor optical ruler method takes advantage of the broad spectral range and distances achievable when using a gold nanoparticle as the lowest energy acceptor. The ability to report distance information simultaneously across multiple length scales, short-range (10-50 Å), mid-range (50-150 Å), and long-range (150-350 Å), distinguishes this approach from other multicolor energy transfer methods.

  8. Nano Sensing and Energy Conversion Using Surface Plasmon Resonance (SPR

    Directory of Open Access Journals (Sweden)

    Iltai (Isaac Kim

    2015-07-01

    Full Text Available Nanophotonic technique has been attracting much attention in applications of nano-bio-chemical sensing and energy conversion of solar energy harvesting and enhanced energy transfer. One approach for nano-bio-chemical sensing is surface plasmon resonance (SPR imaging, which can detect the material properties, such as density, ion concentration, temperature, and effective refractive index in high sensitivity, label-free, and real-time under ambient conditions. Recent study shows that SPR can successfully detect the concentration variation of nanofluids during evaporation-induced self-assembly process. Spoof surface plasmon resonance based on multilayer metallo-dielectric hyperbolic metamaterials demonstrate SPR dispersion control, which can be combined with SPR imaging, to characterize high refractive index materials because of its exotic optical properties. Furthermore, nano-biophotonics could enable innovative energy conversion such as the increase of absorption and emission efficiency and the perfect absorption. Localized SPR using metal nanoparticles show highly enhanced absorption in solar energy harvesting. Three-dimensional hyperbolic metamaterial cavity nanostructure shows enhanced spontaneous emission. Recently ultrathin film perfect absorber is demonstrated with the film thickness is as low as ~1/50th of the operating wavelength using epsilon-near-zero (ENZ phenomena at the wavelength close to SPR. It is expected to provide a breakthrough in sensing and energy conversion applications using the exotic optical properties based on the nanophotonic technique.

  9. Energy Exchange between Weakly Ionized Gas and a Metal Surface

    Science.gov (United States)

    Polikarpov, A. Ph.; Polikarpov, Ph. J.; Borisov, S. F.

    2008-12-01

    An attempt to describe heat exchange of low ionized gas with a metal surface has been made with the use of DSMC approach and kinetic Monte-Carlo method. Modeling is adhered to concrete experimental conditions at which thin tungsten wire is placed in plasma and dependence of a heat flow on wire surface temperature, gas pressure, gas nature and a degree of ionization is investigated. As a result of simulation temperature profiles near the wire surface for nitrogen and argon as well as dependence of relative heat flow in a gas/surface system on temperature and degree of ionization with consideration of energy accommodation have been obtained. In the case of nitrogen the chemical charge-transfer reaction is taken into account.

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

    Science.gov (United States)

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

    2012-10-01

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

  11. Comparison of surface energy fluxes with satellite-derived surface energy flux estimates from a shrub-steppe

    International Nuclear Information System (INIS)

    Kirkham, R.R.

    1993-12-01

    This thesis relates the components of the surface energy balance (i.e., net radiation, sensible and latent heat flux densities, soil heat flow) to remotely sensed data for native vegetation in a semi-arid environment. Thematic mapper data from Landsat 4 and 5 were used to estimate net radiation, sensible heat flux (H), and vegetation amount. Several sources of ground truth were employed. They included soil water balance using the neutron thermalization method and weighing lysimeters, and the measurement of energy fluxes with the Bowen ratio energy balance (BREB) technique. Sensible and latent heat flux were measured at four sites on the U.S. Department of Energy's Hanford Site using a weighing lysimeter and/or BREB stations. The objective was to calibrate an aerodynamic transport equation that related H to radiant surface temperature. The transport equation was then used with Landsat thermal data to generate estimates of H and compare these estimates against H values obtained with BREB/lysimeters at the time of overflight. Landsat and surface meteorologic data were used to estimate the radiation budget terms at the surface. Landsat estimates of short-wave radiation reflected from the surface correlate well with reflected radiation measured using inverted Eppley pyranometers. Correlation of net radiation estimates determined from satellite data, pyranometer, air temperature, and vapor pressure compared to net radiometer values obtained at time of overflight were excellent for a single image, but decrease for multiple images. Soil heat flux, G T , is a major component of the energy balance in arid systems and G T generally decreases as vegetation cover increases. Normalized difference vegetation index (NDVI) values generated from Landsat thermatic mapper data were representative of field observations of the presence of green vegetation, but it was not possible to determine a single relationship between NDVI and G T for all sites

  12. Surface energy budget responses to radiative forcing at Summit, Greenland

    Science.gov (United States)

    Miller, Nathaniel B.; Shupe, Matthew D.; Cox, Christopher J.; Noone, David; Persson, P. Ola G.; Steffen, Konrad

    2017-02-01

    Greenland Ice Sheet surface temperatures are controlled by an exchange of energy at the surface, which includes radiative, turbulent, and ground heat fluxes. Data collected by multiple projects are leveraged to calculate all surface energy budget (SEB) terms at Summit, Greenland, for the full annual cycle from July 2013 to June 2014 and extend to longer periods for the radiative and turbulent SEB terms. Radiative fluxes are measured directly by a suite of broadband radiometers. Turbulent sensible heat flux is estimated via the bulk aerodynamic and eddy correlation methods, and the turbulent latent heat flux is calculated via a two-level approach using measurements at 10 and 2 m. The subsurface heat flux is calculated using a string of thermistors buried in the snow pack. Extensive quality-control data processing produced a data set in which all terms of the SEB are present 75 % of the full annual cycle, despite the harsh conditions. By including a storage term for a near-surface layer, the SEB is balanced in this data set to within the aggregated uncertainties for the individual terms. November and August case studies illustrate that surface radiative forcing is driven by synoptically forced cloud characteristics, especially by low-level, liquid-bearing clouds. The annual cycle and seasonal diurnal cycles of all SEB components indicate that the non-radiative terms are anticorrelated to changes in the total radiative flux and are hence responding to cloud radiative forcing. Generally, the non-radiative SEB terms and the upwelling longwave radiation component compensate for changes in downwelling radiation, although exact partitioning of energy in the response terms varies with season and near-surface characteristics such as stability and moisture availability. Substantial surface warming from low-level clouds typically leads to a change from a very stable to a weakly stable near-surface regime with no solar radiation or from a weakly stable to neutral

  13. Artificial ocean upwelling utilizing the energy of surface waves

    Science.gov (United States)

    Soloviev, Alexander

    2016-04-01

    Artificial upwelling can bring cold water from below the thermocline to the sea surface. Vershinsky, Pshenichnyy, and Soloviev (1987) developed a prototype device, utilizing the energy of surface waves to create an upward flow of water in the tube. This is a wave-inertia pump consisting of a vertical tube, a valve, and a buoy to keep the device afloat. An outlet valve at the top of the unit synchronizes the operation of the device with surface waves and prevents back-splashing. A single device with a 100 m long and 1.2 m diameter tube is able to produce up to 1 m3s-1 flow of deep water to the surface. With a 10 oC temperature difference over 100 m depth, the negative heat supply rate to the sea surface is 42 MW, which is equivalent to a 42 Wm-2 heat flux, if distributed over 1 km2 area. Such flux is comparable to the average net air-sea flux. A system of artificial upwelling devices can cool down the sea surface, modify climate on a regional scale and possibly help mitigate hurricanes. The cold water brought from a deeper layer, however, has a larger density than the surface water and therefore has a tendency to sink back down. In this work, the efficiency of wave-inertia pumps and climatic consequences are estimated for different environmental conditions using a computational fluid dynamics model.

  14. Surface modifications of polypropylene by high energy carbon ions

    International Nuclear Information System (INIS)

    Saha, A.; Chakraborty, V.; Dutta, R.K.; Chintalapudi, S.N.

    2000-01-01

    Polypropylene was irradiated with 12 C ions of 3.6 and 5.4 MeV energies using 3 MV tandem accelerator. The surface modification was investigated by Scanning Electron Microscopy (SEM). Optical changes were monitored by UV-VIS and FTIR spectroscopy. At the lowest ion fluence, only blister formation of various sizes (1-6 μm) was observed. Polymer when irradiated at a fluence of 1x10 14 ions/cm 2 exhibited a network structure. A comparative study on dose dependence of surface and bulk modification has been described. (author)

  15. Effect of surface energy of solid surfaces on the micro- and macroscopic properties of adsorbed BSA and lysozyme.

    Science.gov (United States)

    Sharma, Indu; Pattanayek, Sudip K

    2017-07-01

    The surface energy, a macroscopic property, depends on the chemical functionality and micro- and macroscopic roughness of the surface. The adsorption of two widely used proteins bovine serum albumin (BSA) and lysozyme on surfaces of four different chemical functionalities were done to find out the interrelation between macroscopic and microscopic properties. We have observed the secondary structure of protein after its adsorption. In addition, we observed the variation of surface energy of proteins due to variation in adsorption time, change in protein concentration and effect of a mixture of proteins. Surfaces of three different chemical functionalities namely, amine, hydroxyl and octyl were obtained through self-assembled monolayer on silica surfaces and were tested for responses towards adsorption of lysozyme and BSA. The adsorbed lysozyme has higher surface energy than the adsorbed BSA on amine and octyl surfaces. On hydroxyl functional surface, the surface energy due to the adsorbed lysozyme or BSA increases slowly with time. The surface energy of the adsorbed protein increases gradually with increasing protein concentration on hydrophobic surfaces. On hydrophilic surfaces, with increasing BSA concentration in bulk solution, the surface energy of the adsorbed protein on GPTMS and amine surfaces is maximum at 1μM concentration. During the adsorption from a mixture of BSA and lysozyme on octyl surface, first lysozyme adsorbs and subsequent BSA adsorption leads to a high surface energy. Copyright © 2016. Published by Elsevier B.V.

  16. Field evaluation of skid resistant surfaces : final report : part I.

    Science.gov (United States)

    1970-06-01

    This project was undertaken to establish a thin bituminous surface course that would possess good skid resistant qualities as well as, being both economical and durable. : This is the final report on the evaluation of skid resistant surfaces which wa...

  17. The interaction of low energy ion beams with surfaces

    International Nuclear Information System (INIS)

    Carter, G.; Armour, D.G.

    1981-01-01

    Four of the most important physical processes which occur during ion plating and allied techniques (1) ion-induced (and energetic-atom-induced) desorption of adsorbed impurities from the substrate surface, (2) ion penetration and entrapment in the substrate and coating, (3) ion-induced sputtering of substrate and coating atoms and (4) recoil displacement of substrate and coating atoms leading to their intermixing. The ion and energetic atom energy range of importance is from thermal energies to the order of 1keV. Current understanding of these processes, supported by discussion of available experimental data, is reviewed. (Auth.)

  18. Evaluation of Unfixed Tritium Surface Contamination

    International Nuclear Information System (INIS)

    Postolache, C.; Matei, Lidia

    2005-01-01

    Surface unfixed radioactive contamination represents the amount of surface total radioactive contamination which can be eliminated by pure mechanical processes. This unfixed contamination represents the main risk factor for contamination of the personnel which operates in tritium laboratories. Unfixed contamination was determined using sampling smears type FPCSN-PSE-AA. Those FPCSN-PSE-AA smears are disks of expanded polystyrene which contain acrylic acid fragments superficially grafted. Sampling factor was determinated by contaminated surface wiping with moisten smears in 50 μL butylic alcohol and activity measuring at liquid scintillation measuring device. Sampling factor was determined by the ratio between measured activity and initially real conventional activity. The sampling factor was determined for Tritium Laboratory existent surfaces: stainless steel, aluminum, glass, ceramics, linoleum, washable coats, epoxy resins type ALOREX LP-52.The sampling factors and the reproducibility were determined in function of surface nature

  19. Influence of Energy Beverages on the Surface Texture of Glass lonomer Restorative Materials.

    Science.gov (United States)

    Al-Samadani, Khalid H

    2017-10-01

    The objective of the study was to find whether energy beverages have an erosive effect, leading to a risk in the clinical performance of glass ionomer restorative materials. This study evaluated the influence of energy beverages on the surface texture of glass ionomer restorative materials. Glass ionomer materials used were Ionofil Plus AC, GC EQUIA, and Ketac Molar; energy beverages are Code Red, Red Bull, and Power Horse. Specimens prepared were discs of 8 mm diameter and 3 mm thickness; specimens from each material were evaluated following aging with Code Red, Red Bull, and Power Horse energy beverages. Distilled water was used as a control. The surface roughness (Ra) was assessed by surface scanning interferometry. The surface roughness values (ΔRa and Ra) were measured for each specimen. The data were analyzed statistically using multiple repeated measures [analysis of variance (ANOVA)] and paired data t-test (p glass ionomers with increasing immersion time. Energy beverages have an erosive effect on glass ionomer, which influences the clinical importance of the material; it also has anticarious property because it releases the fluoride.

  20. In vitro effect of energy drinks on human enamel surface

    Directory of Open Access Journals (Sweden)

    Marise Sano Suga MATUMOTO

    Full Text Available Abstract Introduction Energy drinks (ED possess low pH and citric acid in their composition, making them potentially erosive beverages that can contribute to the high dental erosion rates found currently in the general population and also in young people. Objective To evaluate the mean pH and titratable acidity of commercial ED and the influence of a brand of ED on the superficial microhardness of human enamel. Material and method Ten commercial ED were selected and the pH of two lots of each ED with and without gas was obtained. Acid titration was conducted with the addition of NaOH aliquots until the pH 7 was reached. Eighteen human enamel specimens were allocated in three groups (N=6, Red Bull (RB, Red Bull Light (RBL and distilled water (C, submitted to an acid challenge with the ED, six consecutive times, with 12 hours intervals, during three days. Knoop microhardness was measured before and after the acid challenge. Result All ED brands tested presented low pH levels ranging from 2.1 to 3.2. Regarding titratable acidity, it was found that the amount of base required promoting the neutralization of the solutions ranged from 1200μL to 3750μL. Samples of human enamel in the RB and RBL groups submitted to the acid challenge presented significantly decreased Knoop microhardness when compared with the group C. Conclusion All ED examined have potential to promote mineral loss due to the low pH and high titratable acidity. The ED analyzed promoted significant mineral losses on the dental enamel surface.

  1. Lower-Energy Energy Storage System (LEESS) Component Evaluation

    Energy Technology Data Exchange (ETDEWEB)

    Gonder, J.; Cosgrove, J.; Shi, Y.; Saxon, A.; Pesaran, A.

    2014-10-01

    Alternate hybrid electric vehicle (HEV) energy storage systems (ESS) such as lithium-ion capacitors (LICs) and electrochemical double-layer capacitor (EDLC) modules have the potential for improved life, superior cold temperature performance, and lower long-term cost projections relative to traditional battery storage systems. If such lower-energy ESS (LEESS) devices can also be shown to maintain high HEV fuel savings, future HEVs designed with these devices could have an increased value proposition relative to conventional vehicles. NREL's vehicle test platform is helping validate the in-vehicle performance capability of alternative LEESS devices and identify unforeseen issues. NREL created the Ford Fusion Hybrid test platform for in-vehicle evaluation of such alternative LEESS devices, bench testing of the initial LIC pack, integration and testing of the LIC pack in the test vehicle, and bench testing and installation of an EDLC module pack. EDLC pack testing will continue in FY15. The in-vehicle LIC testing results suggest technical viability of LEESS devices to support HEV operation. Several LIC configurations tested demonstrated equivalent fuel economy and acceleration performance as the production nickel-metal-hydride ESS configuration across all tests conducted. The lowest energy LIC scenario demonstrated equivalent performance over several tests, although slightly higher fuel consumption on the US06 cycle and slightly slower acceleration performance. More extensive vehicle-level calibration may be able to reduce or eliminate these performance differences. The overall results indicate that as long as critical attributes such as engine start under worst case conditions can be retained, considerable ESS downsizing may minimally impact HEV fuel savings.

  2. Attenuation of glazing energy using linear patterns on the glass surface

    Directory of Open Access Journals (Sweden)

    Shiang-Jiun Lin

    2015-12-01

    Full Text Available Glazing energy resulting from solar radiation can be the main source to vary the thermal field inside of a building. As the glass material is loaded by intensive solar radiation, the glazing energy, greatly induced, will result in the drastic increase in interior temperatures and yield the energy demand for air conditioning loads. Reducing energy consumption is imperative; therefore, this article presents the patterned glass technology which incorporates linearly and uniaxially symmetric patterns throughout the exterior surface of glass to attenuate the solar energy entering indoors. By imposing the patterns over the glass surface, the glazing energy can be reduced due to the increase in the incident angle and the decrease in the solar energy loading on the glass. The thermal performance of the linearly patterned glass is evaluated by computational fluid dynamics technique. Based on computational fluid dynamics–evaluated results, as the patterned glass is applied on the window opening, the interior solar heat is able to be decreased. Moreover, the glazing energy can be strongly associated with the pattern design. Increasing the patterned angle and decreasing the patterned space help reduce solar effect on the interior temperatures.

  3. Supramolecular Surface Photochemistry: Cascade Energy Transfer between Encapsulated Dyes Aligned on a Clay Nanosheet Surface.

    Science.gov (United States)

    Tsukamoto, Takamasa; Ramasamy, Elamparuthi; Shimada, Tetsuya; Takagi, Shinsuke; Ramamurthy, V

    2016-03-29

    Three coumarin derivatives (7-propoxy coumarin, coumarin-480, and coumarin-540a, 2, 3, and 4, respectively) having different absorption and emission spectra were encapsulated within a water-soluble organic capsule formed by the two positively charged ammonium-functionalized cavitand octaamine (OAm, 1). Guests 2, 3, and 4 absorb in ultraviolet, violet, and blue regions and emit in violet, blue, and green regions, respectively. Energy transfer between the above three coumarin@(OAm)2 complexes assembled on the surface of a saponite clay nanosheet was investigated by steady-state and time-resolved emission techniques. Judging from their emission and excitation spectra, we concluded that the singlet-singlet energy transfer proceeded from 2 to 3, from 2 to 4, and from 3 to 4 when OAm-encapsulated 2, 3, and 4 were aligned on a clay surface as two-component systems. Under such conditions, the energy transfer efficiencies for the paths 2* to 3, 2* to 4, and 3* to 4 were calculated to be 33, 36, and 50% in two-component systems. When all three coumarins were assembled on the surface and 2 was excited, the energy transfer efficiencies for the paths 2* to 3, 2* to 4, and 3* to 4 were estimated to be 32, 34, and 33%. A comparison of energy transfer efficiencies of the two-component and three-component systems revealed that excitation of 2 leads to emission from 4. Successful merging of supramolecular chemistry and surface chemistry by demonstrating novel multi-step energy transfer in a three-component dye encapsulated system on a clay surface opens up newer opportunities for exploring such systems in an artificial light-harvesting phenomenon.

  4. Low energy atomic and molecular collision with graphite surface

    International Nuclear Information System (INIS)

    Bercu, M.; Grecu, V. V.

    2002-01-01

    The interaction of atomic and molecular species of hydrogen with basal plane of graphite has been investigated by means of atomic cluster models of 10, 24 and 48 carbon atoms using Hartree-Fock - Linear Combination of Atomic Orbitals (HF-LCAO) theory at the ab-initio and semiempirical level of approximation. The last approach was based on an original package developed for carbon clusters. Atomic migration between consecutive basal planes was described by cluster models of two sheets of carbon atoms. Our contribution presents the theoretical results about atomic and molecular interactions with graphite. It was found for H atom bonding energy the value 2.6 eV, using the largest cluster model. The migration of H atoms above the surface and between consecutive basal planes was simulated by extended calculations of potential energy in each point of a mesh containing 450 points describing a local surface of 0.25 nm 2 . A 3D interpolation approach gives the image of a hypersurface potential energy projection at a given distance to the graphite surface. The semi-quantitative results have indicated two significant facts related to atomic species migration. The first is that H atom has the smallest displacement barrier along C-C bonds at a distance of 1.3 A from the basal plane. In the case of absorbed atoms between graphite basal planes an almost free motion channel has been found parallel to the surface. The interaction potential barrier for H atom collision with graphite surface at the center of the carbon ring has been calculated neglecting surface vibration modes and found to be 5.9 eV . The hyperfine interaction between the electron of hydrogen and the proton has been taken as a measure of the interaction between the incident atom and the target local states. The isotropic hyperfine constant obtained at the level of the semiempiric calculations was found to be 402 Gs at the equilibrium position of H atom above a C atom at a distance of 1.3 A. The corresponding value

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

    International Nuclear Information System (INIS)

    Kain, Jacqueline Sophie

    2001-01-01

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

  6. 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.

  7. Ab initio surface core-level shifts and surface segregation energies

    DEFF Research Database (Denmark)

    Aldén, Magnus; Skriver, Hans Lomholt; Johansson, Börje

    1993-01-01

    We have calculated the surface core-level energy shifts of the 4d and 5d transition metals by means of local-density theory and a Green’s-function technique based on the linear muffin-tin orbitals method. Final-state effects are included by treating the core-ionized atom as an impurity located...

  8. Pressure relieving support surfaces: a randomised evaluation.

    Science.gov (United States)

    Nixon, J; Nelson, E A; Cranny, G; Iglesias, C P; Hawkins, K; Cullum, N A; Phillips, A; Spilsbury, K; Torgerson, D J; Mason, S

    2006-07-01

    To determine differences between alternating pressure overlays and alternating pressure replacement mattresses with respect to the development of new pressure ulcers, healing of existing pressure ulcers, patient acceptability and cost-effectiveness of the different pressure-relieving surfaces. Also to investigate the specific additional impact of pressure ulcers on patients' well-being. A multicentre, randomised, controlled, open, fixed sample, parallel-group trial with equal randomisation was undertaken. The trial used remote, concealed allocation and intention-to-treat (ITT) analysis. The main trial design was supplemented with a qualitative study involving a purposive sample of 20-30 patients who developed pressure ulcers, to assess the impact of the pressure ulcers on their well-being. In addition, a focus group interview was carried out with clinical research nurses, who participated in the PRESSURE (Pressure RElieving Support SUrfaces: a Randomised Evaluation) Trial, to explore the experiences of their role and observations of pressure area care. The study took place in 11 hospital-based research centres within six NHS trusts in England. Acute and elective patients aged 55 years or older and admitted to vascular, orthopaedic, medical or care of the elderly wards in the previous 24 hours were investigated. Patients were randomised to either an alternating pressure overlay or an alternating pressure mattress replacement, with mattress specifications clearly defined to enable the inclusion of centres using products from different manufacturers, and to exclude hybrid mattress systems (which either combine foam or constant low pressure with alternating pressure in one mattress, or can be used as either an overlay or a replacement mattress). Development of a new pressure ulcer (grade pressures ulcers, patient acceptability and cost-effectiveness. In total, 6155 patients were assessed for eligibility to the trial and 1972 were randomised: 990 to the alternating

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

    Science.gov (United States)

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

    2013-08-15

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

  10. Study on the energy performance of glazing surfaces

    Directory of Open Access Journals (Sweden)

    Ligia MOGA

    2014-12-01

    Full Text Available A proper thermal design of the building envelope represents an important factor for the energy economics. Glazing surfaces represent one of the important elements in the hygrothermal design activity of a building envelope. The window’s thermal performance has also a strong influence on the thermal performance of the opaque area of the wall. This fact imposed the research of the real interaction, of cooperation and of mutual influences of the characteristics between the two components of the wall of the building envelope, respectively the opaque and the glazing area. Optimal constructive details for the opaque and glazing area of the wall need to be properly designed in order to achieve the required thermal and energy performances imposed for new types of buildings, e.g. passive houses, zero energy buildings.

  11. The importance of surface finish to energy performance

    Directory of Open Access Journals (Sweden)

    Smith Geoff B.

    2017-01-01

    Full Text Available Power generation in solar energy systems, thermal control in buildings and mitigation of the Urban Heat Island problem, are all sensitive to directional response to incoming radiation. The radiation absorption and emission profile also plays a crucial role in each system's response and depends strongly on surface finish. This important sensitivity needs wider recognition in materials data sheets, system modeling, plus in materials and environmental engineering. The impact of surface roughness on thermal response of natural and man-made external environments is examined. Important examples will be given of the role of surface finish within each class. Total emittance links to the way surface finish influences directional emittance E(θ. Smooth surface thermal emittance on PV module covers, many solar absorbers, some roof paints, polished concrete, and glass windows can be up to 15% different from insulator results based on fully diffuse models of the same material. Widespread evidence indicates smooth metals and low-E solar absorber surfaces cool faster, and smooth insulators slower than previously thought. Matt paint is cooler than low sheen paint under the same solar heating impacts and normal concrete cooler than polished. Emittance for water is the prime environmental example of oblique impacts as it reflects strongly at oblique incidence, which leads to a significant drop in E(θ. Ripples or waves however raise water's average emittance. A surprise in this work was the high sensitivity of total E and its angular components to roughness in the depth range of 0.1–0.8 μm, which are well under ambient thermal IR wavelengths of 3–30 μm but common in metal finishing. Parallel energy flows such as evaporation and convective cooling vary if emittance varies. Thermal image analysis can provide insights into angular radiative effects.

  12. Evaluation of Flat Surface Temperature Probes

    Science.gov (United States)

    Beges, G.; Rudman, M.; Drnovsek, J.

    2011-01-01

    The objective of this paper is elaboration of elements related to metrological analysis in the field of surface temperature measurement. Surface temperature measurements are applicable in many fields. As examples, safety testing of electrical appliances and a pharmaceutical production line represent case studies for surface temperature measurements. In both cases correctness of the result of the surface temperature has an influence on final product safety and quality and thus conformity with specifications. This paper deals with the differences of flat surface temperature probes in measuring the surface temperature. For the purpose of safety testing of electrical appliances, surface temperature measurements are very important for safety of the user. General requirements are presented in European standards, which support requirements in European directives, e.g., European Low Voltage Directive 2006/95/EC and pharmaceutical requirements, which are introduced in official state legislation. This paper introduces a comparison of temperature measurements of an attached thermocouple on the measured surface and measurement with flat surface temperature probes. As a heat generator, a so called temperature artifact is used. It consists of an aluminum plate with an incorporated electrical heating element with very good temperature stability in the central part. The probes and thermocouple were applied with different forces to the surface in horizontal and vertical positions. The reference temperature was measured by a J-type fine-wire (0.2 mm) thermocouple. Two probes were homemade according to requirements in the European standard EN 60335-2-9/A12, one with a fine-wire (0.2 mm) thermocouple and one with 0.5mm of thermocouple wire diameter. Additional commercially available probes were compared. Differences between probes due to thermal conditions caused by application of the probe were found. Therefore, it can happen that measurements are performed with improper equipment or

  13. Botswana water and surface energy balance research program. Part 1: Integrated approach and field campaign results

    Science.gov (United States)

    Vandegriend, A. A.; Owe, M.; Vugts, H. F.; Ramothwa, G. K.

    1992-01-01

    The Botswana water and surface energy balance research program was developed to study and evaluate the integrated use of multispectral satellite remote sensing for monitoring the hydrological status of the Earth's surface. Results of the first part of the program (Botswana 1) which ran from 1 Jan. 1988 - 31 Dec. 1990 are summarized. Botswana 1 consisted of two major, mutually related components: a surface energy balance modeling component, built around an extensive field campaign; and a passive microwave research component which consisted of a retrospective study of large scale moisture conditions and Nimbus scanning multichannel microwave radiometer microwave signatures. The integrated approach of both components in general are described and activities performed during the surface energy modeling component including the extensive field campaign are summarized. The results of the passive microwave component are summarized. The key of the field campaign was a multilevel approach, whereby measurements by various similar sensors were made at several altitudes and resolution. Data collection was performed at two adjacent sites of contrasting surface character. The following measurements were made: micrometeorological measurements, surface temperatures, soil temperatures, soil moisture, vegetation (leaf area index and biomass), satellite data, aircraft data, atmospheric soundings, stomatal resistance, and surface emissivity.

  14. Evaluating the Best Renewable Energy Technology For Sustainable Energy Planning

    OpenAIRE

    Demirtas, Ozgur

    2013-01-01

    Energy is one of the main factors that must be considered in the discussions of sustainable development. The basic dimensions of sustainability of energy production are environmentally, technically, economically and socially sustainable supply of energy resources that, in the long term, is reliable, adequate and affordable. Renewable, clean and cost effective energy sources are preferred but unfortunately no one of the alternative energy sources can meet these demands solely. So, the problem ...

  15. Evaluating the Best Renewable Energy Technology for Sustainable Energy Plannin

    OpenAIRE

    Ozgur Demirta

    2013-01-01

    Energy is one of the main factors that must be considered in the discussions of sustainable development. The basic dimensions of sustainability of energy production are environmentally, technically, economically and socially sustainable supply of energy resources that, in the long term, is reliable, adequate and affordable. Renewable, clean and cost effective energy sources are preferred but unfortunately no one of the alternative energy sources can meet these demands solely. So, the problem ...

  16. Controlled synthesis and photocatalytic properties of rhombic dodecahedral Ag3PO4 with high surface energy

    International Nuclear Information System (INIS)

    Xie, Yao; Huang, Zhaohui; Zhang, Zhijie; Zhang, Xiaoguang; Wen, Ruilong; Liu, Yangai; Fang, Minghao; Wu, Xiaowen

    2016-01-01

    Graphical abstract: The high amount of rhombic dodecahedral Ag 3 PO 4 particles with a high exposure of the {110} facets and high surface energy (the surface energy of the {110} facets was 1.31 J/m 2 , greater than that of the {100} facet (1.12 J/m 2 ).) exhibited excellent photocatalytic activity. - Highlights: • High contents of rhombic dodecahedral Ag 3 PO 4 photocatalysts are prepared. • Excessive EG can destroy the morphology of Ag 3 PO 4 in synthesis process. • The rhombic dodecahedral Ag 3 PO 4 exhibits high surface energy. • High surface energy implies high photocatalytic activity. - Abstract: In this study, a series of Ag 3 PO 4 photocatalysts with different contents of rhombic dodecahedral particles were prepared in one pot by a facile, novel hydrothermal method using ethylene glycol (EG), which served as both a morphology modifier and reducing agent. The effects of EG content on the morphologies of Ag 3 PO 4 photocatalysts were discussed. The photocatalytic activity of the Ag 3 PO 4 photocatalysts was evaluated by the degradation of methylene blue trihydrate under visible-light irradiation. With the use of 0.8% EG in the reaction solvent, the sample exhibited excellent photocatalytic activity, attributed to the high amount of rhombic dodecahedral Ag 3 PO 4 particles with a high exposure of the {110} facets and high surface energy. The surface energy of the {110} facets was 1.31 J/m 2 , greater than that of the {100} facet (1.12 J/m 2 ). However, with 1% EG in the reaction solvent, although the Ag 3 PO 4 photocatalysts were composed of a majority of rhombic dodecahedral Ag 3 PO 4 particles, tiny Ag particles formed from Ag + under the action of EG attached on the surface of the sample decreased the absorption of visible light, resulting in low photocatalytic activity.

  17. Artificial upwelling using the energy of surface waves

    Science.gov (United States)

    Soloviev, A.

    2016-02-01

    The ocean is an important component of climate and climate change, since the heat capacity of a few meters of the upper ocean is equivalent to the heat capacity of the entire atmosphere. (Solar radiation and IR balance in the atmosphere are of course major factors as well.) Artificial upwelling devices using the energy of surface waves, similar to those developed by Vershinskiy, Pshenichnyy, and Soloviev (1987), can bring cold water from below the thermocline to the sea surface. Their wave-inertia pump consisted of a vertical tube, a valve, and a buoy to keep the device afloat. The device operated by using energy of surface waves to create an upward flow of water in the tube. An outlet valve at the top of the unit synchronized the operation of the device with surface waves and prevented back-splashing. A single device with a 100 m long and 1.2 m diameter tube is able to produce up to 1 m3s-1 flow of deep water to the surface. With a 10oC temperature difference over 100 m depth, the negative heat supply rate to the sea surface is 42 MW, which is equivalent to a 42 Wm-2 heat flux, if distributed over 1 km2 area. Such flux is comparable to the average net air-sea flux. This type of artificial upwelling can cool down the sea surface, modify climate on a regional scale and possibly help mitigate hurricanes. The cold water brought from the deep layer, however, has a larger density than the surface water and therefore has a tendency to sink back down. In this work, the efficiency of wave-inertia pumps has been estimated for different environmental conditions using a computational fluid dynamics model. The cooled near-surface layer of the ocean will be getting more heat from the sun, which is a detrimental consequence. Cloud seeding can help to mitigate this extra warming. A synergistic approach to climate engineering can thus reduce detriments and increase potential benefits of this system to society.

  18. The Global Energy Balance Archive (GEBA version 2017: a database for worldwide measured surface energy fluxes

    Directory of Open Access Journals (Sweden)

    M. Wild

    2017-08-01

    Full Text Available The Global Energy Balance Archive (GEBA is a database for the central storage of the worldwide measured energy fluxes at the Earth's surface, maintained at ETH Zurich (Switzerland. This paper documents the status of the GEBA version 2017 dataset, presents the new web interface and user access, and reviews the scientific impact that GEBA data had in various applications. GEBA has continuously been expanded and updated and contains in its 2017 version around 500 000 monthly mean entries of various surface energy balance components measured at 2500 locations. The database contains observations from 15 surface energy flux components, with the most widely measured quantity available in GEBA being the shortwave radiation incident at the Earth's surface (global radiation. Many of the historic records extend over several decades. GEBA contains monthly data from a variety of sources, namely from the World Radiation Data Centre (WRDC in St. Petersburg, from national weather services, from different research networks (BSRN, ARM, SURFRAD, from peer-reviewed publications, project and data reports, and from personal communications. Quality checks are applied to test for gross errors in the dataset. GEBA has played a key role in various research applications, such as in the quantification of the global energy balance, in the discussion of the anomalous atmospheric shortwave absorption, and in the detection of multi-decadal variations in global radiation, known as global dimming and brightening. GEBA is further extensively used for the evaluation of climate models and satellite-derived surface flux products. On a more applied level, GEBA provides the basis for engineering applications in the context of solar power generation, water management, agricultural production and tourism. GEBA is publicly accessible through the internet via http://www.geba.ethz.ch. Supplementary data are available at https://doi.org/10.1594/PANGAEA.873078.

  19. Influences of biomass heat and biochemical energy storages on the land surface fluxes and radiative temperature

    Science.gov (United States)

    Gu, Lianhong; Meyers, Tilden; Pallardy, Stephen G.; Hanson, Paul J.; Yang, Bai; Heuer, Mark; Hosman, Kevin P.; Liu, Qing; Riggs, Jeffery S.; Sluss, Dan; Wullschleger, Stan D.

    2007-01-01

    The interest of this study was to develop an initial assessment on the potential importance of biomass heat and biochemical energy storages for land-atmosphere interactions, an issue that has been largely neglected so far. We conducted flux tower observations and model simulations at a temperate deciduous forest site in central Missouri in the summer of 2004. The model used was the comprehensive terrestrial ecosystem Fluxes and Pools Integrated Simulator (FAPIS). We first examined FAPIS performance by testing its predictions with and without the representation of biomass energy storages against measurements of surface energy and CO2 fluxes. We then evaluated the magnitudes and temporal patterns of the biomass energy storages calculated by FAPIS. Finally, the effects of biomass energy storages on land-atmosphere exchanges of sensible and latent heat fluxes and variations of land surface radiative temperature were investigated by contrasting FAPIS simulations with and without these storage terms. We found that with the representation of the two biomass energy storage terms, FAPIS predictions agreed with flux tower measurements fairly well; without the representation, however, FAPIS performance deteriorated for all predicted surface energy flux terms although the effect on the predicted CO2 flux was minimal. In addition, we found that the biomass heat storage and biochemical energy storage had clear diurnal patterns with typical ranges from -50 to 50 and -3 to 20 W m-2, respectively; these typical ranges were exceeded substantially when there were sudden changes in atmospheric conditions. Furthermore, FAPIS simulations without the energy storages produced larger sensible and latent heat fluxes during the day but smaller fluxes (more negative values) at night as compared with simulations with the energy storages. Similarly, without-storage simulations had higher surface radiative temperature during the day but lower radiative temperature at night, indicating that the

  20. Measuring surface energy and evapotranspiration across Caribbean mangrove forests

    Science.gov (United States)

    Lagomasino, D.; Fatoyinbo, T. E.; Price, R.

    2014-12-01

    Coastal mangroves lose large amounts of water through evapotranspiration (ET) that can be equivalent to the amount of annual rainfall in certain years. Satellite remote sensing has been used to estimate surface energy and ET variability in many forested ecosystems, yet has been widely overlooked in mangrove forests. Using a combination of long-term datasets (30-year) acquired from the NASA Landsat 5 and 7 satellite databases, the present study investigated ET and surface energy balance variability between two mangrove forest sites in the Caribbean: 1) Everglades National Park (ENP; Florida, USA) and 2) Sian Ka'an Biosphere Reserve (SKBR; Quintana Roo, Mexico). A satellite-derived surface energy balance model was used to estimate ET in tall and scrub mangroves environments at ENP and SKBR. Results identified significant differences in soil heat flux measurements and ET between the tall and scrub mangrove environments. Scrub mangroves exhibited the highest soil heat flux coincident with the lowest biophysical indices (i.e., Fractional Vegetation Cover, Normalized Difference Vegetation Index, and Soil-Adjusted Vegetation Index) and ET rates. Mangrove damage and mortality was observed on the satellite images following strong tropical storms and associated with anthropogenic modifications and resulted in low values in spectral vegetation indices, higher soil heat flux, and higher ET. Recovery of the spectral characteristics, soil heat flux and ET was within 1-2 years following hurricane disturbance while, degradation caused by human disturbance persisted for many years. Remotely sensed ET of mangrove forests can provide estimates over a few decades and provide us with some understanding of how these environments respond to disturbances to the landscape in periods where no ground data exists or in locations that are difficult to access. Moreover, relationships between energy and water balance components developed for the coastal mangroves of Florida and Mexico could be

  1. Evaluation of nuclear energy in the context of energy security

    International Nuclear Information System (INIS)

    Irie, Kazutomo; Kanda, Keiji

    2002-01-01

    This paper analyzes the view expressed by the Japanese government on the role of nuclear energy for energy security through scrutiny of Japan's policy documents. The analysis revealed that the contribution by nuclear energy to Japan's energy security has been defined in two ways. Nuclear energy improves short-term energy security with its characteristics such as political stability in exporting countries of uranium, easiness of stockpiling of nuclear fuels, stability in power generation cost, and reproduction of plutonium and other fissile material for use by reprocessing of spent fuel. Nuclear energy also contributes to medium- and long-term energy security through its characteristics that fissile material can be reproduced (multiplied in the case of breeder reactor) from spent fuels. Further contribution can be expected by nuclear fusion. Japan's energy security can be strengthened not only by expanding the share of nuclear energy in total energy supply, but also by improving nuclear energy's characteristics which are related to energy security. Policy measures to be considered for such improvement will include (a) policy dialogue with exporting countries of uranium, (b) government assistance to development of uranium mines, (c) nuclear fuel stockpiling, (d) reprocessing and recycling of spent fuels, (e) development of fast breeder reactor, and (f) research of nuclear fusion. (author)

  2. Performance of five surface energy balance models for estimating daily evapotranspiration in high biomass sorghum

    Science.gov (United States)

    Wagle, Pradeep; Bhattarai, Nishan; Gowda, Prasanna H.; Kakani, Vijaya G.

    2017-06-01

    Robust evapotranspiration (ET) models are required to predict water usage in a variety of terrestrial ecosystems under different geographical and agrometeorological conditions. As a result, several remote sensing-based surface energy balance (SEB) models have been developed to estimate ET over large regions. However, comparison of the performance of several SEB models at the same site is limited. In addition, none of the SEB models have been evaluated for their ability to predict ET in rain-fed high biomass sorghum grown for biofuel production. In this paper, we evaluated the performance of five widely used single-source SEB models, namely Surface Energy Balance Algorithm for Land (SEBAL), Mapping ET with Internalized Calibration (METRIC), Surface Energy Balance System (SEBS), Simplified Surface Energy Balance Index (S-SEBI), and operational Simplified Surface Energy Balance (SSEBop), for estimating ET over a high biomass sorghum field during the 2012 and 2013 growing seasons. The predicted ET values were compared against eddy covariance (EC) measured ET (ETEC) for 19 cloud-free Landsat image. In general, S-SEBI, SEBAL, and SEBS performed reasonably well for the study period, while METRIC and SSEBop performed poorly. All SEB models substantially overestimated ET under extremely dry conditions as they underestimated sensible heat (H) and overestimated latent heat (LE) fluxes under dry conditions during the partitioning of available energy. METRIC, SEBAL, and SEBS overestimated LE regardless of wet or dry periods. Consequently, predicted seasonal cumulative ET by METRIC, SEBAL, and SEBS were higher than seasonal cumulative ETEC in both seasons. In contrast, S-SEBI and SSEBop substantially underestimated ET under too wet conditions, and predicted seasonal cumulative ET by S-SEBI and SSEBop were lower than seasonal cumulative ETEC in the relatively wetter 2013 growing season. Our results indicate the necessity of inclusion of soil moisture or plant water stress

  3. Energy density and energy flow of surface waves in a strongly magnetized graphene

    Science.gov (United States)

    Moradi, Afshin

    2018-01-01

    General expressions for the energy density and energy flow of plasmonic waves in a two-dimensional massless electron gas (as a simple model of graphene) are obtained by means of the linearized magneto-hydrodynamic model and classical electromagnetic theory when a strong external magnetic field perpendicular to the system is present. Also, analytical expressions for the energy velocity, wave polarization, wave impedance, transverse and longitudinal field strength functions, and attenuation length of surface magneto-plasmon-polariton waves are derived, and numerical results are prepared.

  4. 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.

  5. Surface energy absorbing layers produced by ion implantation

    International Nuclear Information System (INIS)

    Gurarie, V.N.

    1997-01-01

    Single crystals of magnesia have been ion implanted with 80 keV Si and Cr ions at variable doses and then subjected to testing in a shock plasma. The peak surface temperature has been calibrated by measuring the size and temperature deformation of the fragments formed by multiple microcracking during thermal shock. the crack density curves for MgO crystals demonstrate that in a wide range of thermal shock intensity the ion implanted crystals develop a system of microcracks of a considerably higher density than the unimplanted ones. The high density of cracks nucleated in the ion implanted samples results in the formation of a surface energy absorbing layer which effectively absorbs elastic strain energy induced by thermal shock. As a consequence the depth of crack penetration in the layer and hence the degree of fracture damage are decreased. the results indicate that a Si implant decreases the temperature threshold of cracking and simultaneously increases the crack density in MgO crystals. However, in MgO crystals implanted with Cr a substantial increase in the crack density is achieved without a noticeable decrease in the temperature threshold of fracture. This effect is interpreted in terms of different Cr and Si implantation conditions and damage. The mechanical properties of the energy-absorbing layer and the relation to implantation-induced lattice damage are discussed. 11 refs., 4 figs

  6. Surface energy and surface stress on vicinals by revisiting the Shuttleworth relation

    Science.gov (United States)

    Hecquet, Pascal

    2018-04-01

    In 1998 [Surf. Sci. 412/413, 639 (1998)], we showed that the step stress on vicinals varies as 1/L, L being the distance between steps, while the inter-step interaction energy primarily follows the law as 1/L2 from the well-known Marchenko-Parshin model. In this paper, we give a better understanding of the interaction term of the step stress. The step stress is calculated with respect to the nominal surface stress. Consequently, we calculate the diagonal surface stresses in both the vicinal system (x, y, z) where z is normal to the vicinal and the projected system (x, b, c) where b is normal to the nominal terrace. Moreover, we calculate the surface stresses by using two methods: the first called the 'Zero' method, from the surface pressure forces and the second called the 'One' method, by homogeneously deforming the vicinal in the parallel direction, x or y, and by calculating the surface energy excess proportional to the deformation. By using the 'One' method on the vicinal Cu(0 1 M), we find that the step deformations, due to the applied deformation, vary as 1/L by the same factor for the tensor directions bb and cb, and by twice the same factor for the parallel direction yy. Due to the vanishing of the surface stress normal to the vicinal, the variation of the step stress in the direction yy is better described by using only the step deformation in the same direction. We revisit the Shuttleworth formula, for while the variation of the step stress in the direction xx is the same between the two methods, the variation in the direction yy is higher by 76% for the 'Zero' method with respect to the 'One' method. In addition to the step energy, we confirm that the variation of the step stress must be taken into account for the understanding of the equilibrium of vicinals when they are not deformed.

  7. Testing and evaluation of different energy storage devices for piezoelectric energy harvesting under road conditions

    Science.gov (United States)

    Gopalakrishnan, Pratheek

    The increasing needs in green technology have propelled the rapid development in energy conversion and the advancement of electric energy storage systems. A viable storage technology is needed to store intermittent electrical energy in different electronic applications. In this thesis, recent progress on the chemistry and design of batteries is summarized with their challenges and improvements. Along with that, electrolytic capacitors are also reviewed with their types, advantages and disadvantages of each in short. Super capacitors having higher surface area and thinner dielectrics than conventional capacitors along with hybrid capacitors, are discussed in detail. The potential of a hybrid capacitor, Ni(OH)2/ Active Carbon, compared with Ni-Cd batteries and electrolytic capacitors in the application of energy storage for high way energy harvesting has been explored in this work. Both the battery and the hybrid capacitor has been tested under various experimental conditions and their properties in relation to their chemical compositions are compared. The results obtained from the experiments have been analyzed and the most suitable energy storage devices have been selected with their application potential evaluated before drawing conclusion reported in this thesis.

  8. Potential energy surface and rovibrational energy levels of the H2-CS van der Waals complex.

    Science.gov (United States)

    Denis-Alpizar, Otoniel; Stoecklin, Thierry; Halvick, Philippe; Dubernet, Marie-Lise; Marinakis, Sarantos

    2012-12-21

    Owing to its large dipole, astrophysicists use carbon monosulfide (CS) as a tracer of molecular gas in the interstellar medium, often in regions where H(2) is the most abundant collider. Predictions of the rovibrational energy levels of the weakly bound complex CS-H(2) (not yet observed) and also of rate coefficients for rotational transitions of CS in collision with H(2) should help to interpret the observed spectra. This paper deals with the first goal, i.e., the calculation of the rovibrational energy levels. A new four-dimensional intermolecular potential energy surface for the H(2)-CS complex is presented. Ab initio potential energy calculations were carried out at the coupled-cluster level with single and double excitations and a perturbative treatment of triple excitations, using a quadruple-zeta basis set and midbond functions. The potential energy surface was obtained by an analytic fit of the ab initio data. The equilibrium structure of the H(2)-CS complex is found to be linear with the carbon pointing toward H(2) at the intermolecular separation of 8.6 a(o). The corresponding well depth is -173 cm(-1). The potential was used to calculate the rovibrational energy levels of the para-H(2)-CS and ortho-H(2)-CS complexes. The present work provides the first theoretical predictions of these levels. The calculated dissociation energies are found to be 35.9 cm(-1) and 49.9 cm(-1), respectively, for the para and ortho complexes. The second virial coefficient for the H(2)-CS pair has also been calculated for a large range of temperature. These results could be used to assign future experimental spectra and to check the accuracy of the potential energy surface.

  9. Fusion-fission energy systems evaluation

    International Nuclear Information System (INIS)

    Teofilo, V.L.; Aase, D.T.; Bickford, W.E.

    1980-01-01

    This report serves as the basis for comparing the fusion-fission (hybrid) energy system concept with other advanced technology fissile fuel breeding concepts evaluated in the Nonproliferation Alternative Systems Assessment Program (NASAP). As such, much of the information and data provided herein is in a form that meets the NASAP data requirements. Since the hybrid concept has not been studied as extensively as many of the other fission concepts being examined in NASAP, the provided data and information are sparse relative to these more developed concepts. Nevertheless, this report is intended to provide a perspective on hybrids and to summarize the findings of the rather limited analyses made to date on this concept

  10. Fusion-fission energy systems evaluation

    Energy Technology Data Exchange (ETDEWEB)

    Teofilo, V.L.; Aase, D.T.; Bickford, W.E.

    1980-01-01

    This report serves as the basis for comparing the fusion-fission (hybrid) energy system concept with other advanced technology fissile fuel breeding concepts evaluated in the Nonproliferation Alternative Systems Assessment Program (NASAP). As such, much of the information and data provided herein is in a form that meets the NASAP data requirements. Since the hybrid concept has not been studied as extensively as many of the other fission concepts being examined in NASAP, the provided data and information are sparse relative to these more developed concepts. Nevertheless, this report is intended to provide a perspective on hybrids and to summarize the findings of the rather limited analyses made to date on this concept.

  11. Kinetic energy factors in evaluation of athletes.

    Science.gov (United States)

    Jones, Jason N; Priest, Joe W; Marble, Daniel K

    2008-11-01

    It is established that speed and agility are critical attributes of sports performance. Performance timing of runs during agility course testing can be used to estimate acceleration, speed, or quickness. The authors of this research effort also report the energy of motion, or kinetic energy of the athlete, which considers not only the speed but also the mass of the athlete. An electronic timer was used to determine total run times as well as split performance times during a new 60-yd "run-shuttle" test. This newly designed agility test takes advantage of the technological capabilities of a laser timing device. Separate times for each of four run segments were recorded and converted to average speeds (m x s(-1)) as well as a quantitative factor of merit defined as the "K-factor." The purpose of this study was to describe the effects of training and to compare athletes and teams using measures of time, speed, and kinetic energy. Results of the analysis of total time on the 60-yd run-shuttle provided evidence of the effectiveness of the training programs. Split times of segments within the 60-yd run-shuttle provided information not available from conventional agility tests. Average speeds and K-factors identified discriminating characteristics of otherwise similar athletes. Our findings support the conclusion that training programs and athletic performance may be evaluated using the 60-yd run-shuttle with laser timer system. Coaches and trainers may find practical application of this technology for American football, soccer, basketball, baseball/softball, track and field, and field hockey.

  12. Surface Free Energy Determination of APEX Photosensitive Glass

    Directory of Open Access Journals (Sweden)

    William R. Gaillard

    2016-02-01

    Full Text Available Surface free energy (SFE plays an important role in microfluidic device operation. Photosensitive glasses such as APEX offer numerous advantages over traditional glasses for microfluidics, yet the SFE for APEX has not been previously reported. We calculate SFE with the Owens/Wendt geometric method by using contact angles measured with the Sessile drop technique. While the total SFE for APEX is found to be similar to traditional microstructurable glasses, the polar component is lower, which is likely attributable to composition. The SFE was modified at each stage of device fabrication, but the SFE of the stock and fully processed glass was found to be approximately the same at a value of 51 mJ·m−2. APEX exhibited inconsistent wetting behavior attributable to an inhomogeneous surface chemical composition. Means to produce more consistent wetting of photosensitive glass for microfluidic applications are discussed.

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

    International Nuclear Information System (INIS)

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

    2015-01-01

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

  14. Polynomials, Riemann surfaces, and reconstructing missing-energy events

    CERN Document Server

    Gripaios, Ben; Webber, Bryan

    2011-01-01

    We consider the problem of reconstructing energies, momenta, and masses in collider events with missing energy, along with the complications introduced by combinatorial ambiguities and measurement errors. Typically, one reconstructs more than one value and we show how the wrong values may be correlated with the right ones. The problem has a natural formulation in terms of the theory of Riemann surfaces. We discuss examples including top quark decays in the Standard Model (relevant for top quark mass measurements and tests of spin correlation), cascade decays in models of new physics containing dark matter candidates, decays of third-generation leptoquarks in composite models of electroweak symmetry breaking, and Higgs boson decay into two tau leptons.

  15. Planckian energy scattering and surface terms in the gravitational action

    CERN Document Server

    Fabbrichesi, Marco E; Veneziano, Gabriele; Vilkovisky, G A

    1994-01-01

    This is a revised version of our previous paper by the same name and preprint number. It contains various changes, two figures and new results in sect.5. We propose a new approach to four-dimensional Planckian-energy scattering in which the phase of the ${\\cal S}$-matrix is written---to leading order in $\\hbar$ and to all orders in $R/b =Gs/J$---in terms of the surface term of the gravity action and of a boundary term for the colliding quanta. The proposal is checked at the leading order in $R/b$ and also against some known examples of scattering in strong gravitational fields.

  16. Treatment of surfaces with low-energy electrons

    Czech Academy of Sciences Publication Activity Database

    Frank, Luděk; Mikmeková, Eliška; Lejeune, M.

    2017-01-01

    Roč. 407, JUN 15 (2017), s. 105-108 ISSN 0169-4332 R&D Projects: GA TA ČR(CZ) TE01020118; GA MŠk(CZ) LO1212; GA MŠk ED0017/01/01 Institutional support: RVO:68081731 Keywords : Low-energy electrons * Electron beam induced release * Graphene * Ultimate cleaning of surfaces Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering OBOR OECD: Nano-processes (applications on nano-scale) Impact factor: 3.387, year: 2016

  17. Low-energy electron scattering from molecules, biomolecules and surfaces

    CERN Document Server

    Carsky, Petr

    2011-01-01

    Since the turn of the 21st century, the field of electron molecule collisions has undergone a renaissance. The importance of such collisions in applications from radiation chemistry to astrochemistry has flowered, and their role in industrial processes such as plasma technology and lighting are vital to the advancement of next generation devices. Furthermore, the development of the scanning tunneling microscope highlights the role of such collisions in the condensed phase, in surface processing, and in the development of nanotechnology.Low-Energy Electron Scattering from Molecules, Biomolecule

  18. Treatment of surfaces with low-energy electrons

    Energy Technology Data Exchange (ETDEWEB)

    Frank, L., E-mail: ludek@isibrno.cz [Institute of Scientific Instruments of the CAS, v.v.i., Královopolská 147, 61264 Brno (Czech Republic); Mikmeková, E. [Institute of Scientific Instruments of the CAS, v.v.i., Královopolská 147, 61264 Brno (Czech Republic); FEI Company, Achtseweg Noord 5, 5651 GG Eindhoven (Netherlands); Lejeune, M. [LPMC – Faculte des Sciences d’Amiens, Universite de Picardie Jules Verne, 33 rue Saint Leu, 80039 Amiens Cedex 2 (France)

    2017-06-15

    Highlights: • Using proper irradiation parameters, adsorbed hydrocarbons are released from surfaces. • Slow electrons remove hydrocarbons instead of depositing carbon. • Prolonged irradiation with very slow electrons does not create defects in graphene. - Abstract: Electron-beam-induced deposition of various materials from suitable precursors has represented an established branch of nanotechnology for more than a decade. A specific alternative is carbon deposition on the basis of hydrocarbons as precursors that has been applied to grow various nanostructures including masks for subsequent technological steps. Our area of study was unintentional electron-beam-induced carbon deposition from spontaneously adsorbed hydrocarbon molecules. This process traditionally constitutes a challenge for scanning electron microscopy practice preventing one from performing any true surface studies outside an ultrahigh vacuum and without in-situ cleaning of samples, and also jeopardising other electron-optical devices such as electron beam lithographs. Here we show that when reducing the energy of irradiating electrons sufficiently, the e-beam-induced deposition can be converted to e-beam-induced release causing desorption of hydrocarbons and ultimate cleaning of surfaces in both an ultrahigh and a standard high vacuum. Using series of experiments with graphene samples, we demonstrate fundamental features of e-beam-induced desorption and present results of checks for possible radiation damage using Raman spectroscopy that led to optimisation of the electron energy for damage-free cleaning. The method of preventing carbon contamination described here paves the way for greatly enhanced surface sensitivity of imaging and substantially reduced demands on vacuum systems for nanotechnological applications.

  19. Botswana water and surface energy balance research program. Part 2: Large scale moisture and passive microwaves

    Science.gov (United States)

    Vandegriend, A. A.; Owe, M.; Chang, A. T. C.

    1992-01-01

    The Botswana water and surface energy balance research program was developed to study and evaluate the integrated use of multispectral satellite remote sensing for monitoring the hydrological status of the Earth's surface. The research program consisted of two major, mutually related components: a surface energy balance modeling component, built around an extensive field campaign; and a passive microwave research component which consisted of a retrospective study of large scale moisture conditions and Nimbus scanning multichannel microwave radiometer microwave signatures. The integrated approach of both components are explained in general and activities performed within the passive microwave research component are summarized. The microwave theory is discussed taking into account: soil dielectric constant, emissivity, soil roughness effects, vegetation effects, optical depth, single scattering albedo, and wavelength effects. The study site is described. The soil moisture data and its processing are considered. The relation between observed large scale soil moisture and normalized brightness temperatures is discussed. Vegetation characteristics and inverse modeling of soil emissivity is considered.

  20. A topological screening heuristic for low-energy, high-index surfaces

    Science.gov (United States)

    Sun, Wenhao; Ceder, Gerbrand

    2018-03-01

    Robust ab initio investigations of nanoparticle surface properties require a method to identify candidate low-energy surface facets a priori. By assuming that low-energy surfaces are planes with high atomic density, we devise an efficient algorithm to screen for low-energy surface orientations, even if they have high (hkl) miller indices. We successfully predict the observed low-energy, high-index { 10 12 bar } and { 10 1 bar 4 } surfaces of hematite α-Fe2O3, the {311} surfaces of cuprite Cu2O, and the {112} surfaces of anatase TiO2. We further tabulate candidate low-energy surface orientations for nine of the most common binary oxide structures. Screened surfaces are found to be generally applicable across isostructural compounds with varying chemistries, although relative surface energies between facets may vary based on the preferred coordination of the surface atoms.

  1. Container Surface Evaluation by Function Estimation

    Energy Technology Data Exchange (ETDEWEB)

    Wendelberger, James G. [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-08-03

    Container images are analyzed for specific surface features, such as, pits, cracks, and corrosion. The detection of these features is confounded with complicating features. These complication features include: shape/curvature, welds, edges, scratches, foreign objects among others. A method is provided to discriminate between the various features. The method consists of estimating the image background, determining a residual image and post processing to determine the features present. The methodology is not finalized but demonstrates the feasibility of a method to determine the kind and size of the features present.

  2. New Material Development for Surface Layer and Surface Technology in Tribology Science to Improve Energy Efficiency

    Science.gov (United States)

    Ismail, R.; Tauviqirrahman, M.; Jamari, Jamari; Schipper, D. J.

    2009-09-01

    This paper reviews the development of new material and surface technology in tribology and its contribution to energy efficiency. Two examples of the economic benefits, resulted from the optimum tribology in the transportation sector and the manufacturing industry are discussed. The new materials are proposed to modify the surface property by laminating the bulk material with thin layer/coating. Under a suitable condition, the thin layer on a surface can provide a combination of good wear, a low friction and corrosion resistance for the mechanical components. The innovation in layer technology results molybdenum disulfide (MoS2), diamond like carbon (DLC), cubic boron nitride (CBN) and diamond which perform satisfactory outcome. The application of the metallic coatings to carbon fibre reinforced polymer matrix composites (CFRP) has the capacity to provide considerable weight and power savings for many engineering components. The green material for lubricant and additives such as the use of sunflower oil which possesses good oxidation resistance and the use of mallee leaves as bio-degradable solvent are used to answer the demand of the environmentally friendly material with good performance. The tribology research implementation for energy efficiency also touches the simple things around us such as: erasing the laser-print in a paper with different abrasion techniques. For the technology in the engineering surface, the consideration for generating the suitable surface of the components in running-in period has been discussed in order to prolong the components life and reduce the machine downtime. The conclusion, tribology can result in reducing manufacturing time, reducing the maintenance requirements, prolonging the service interval, improving durability, reliability and mechanical components life, and reducing harmful exhaust emission and waste. All of these advantages will increase the energy efficiency and the economic benefits.

  3. Near-surface climate and surface energy budget of Larsen C ice shelf, Antarctic Peninsula

    Directory of Open Access Journals (Sweden)

    P. Kuipers Munneke

    2012-03-01

    Full Text Available Data collected by two automatic weather stations (AWS on the Larsen C ice shelf, Antarctica, between 22 January 2009 and 1 February 2011 are analyzed and used as input for a model that computes the surface energy budget (SEB, which includes melt energy. The two AWSs are separated by about 70 km in the north–south direction, and both the near-surface meteorology and the SEB show similarities, although small differences in all components (most notably the melt flux can be seen. The impact of subsurface absorption of shortwave radiation on melt and snow temperature is significant, and discussed. In winter, longwave cooling of the surface is entirely compensated by a downward turbulent transport of sensible heat. In summer, the positive net radiative flux is compensated by melt, and quite frequently by upward turbulent diffusion of heat and moisture, leading to sublimation and weak convection over the ice shelf. The month of November 2010 is highlighted, when strong westerly flow over the Antarctic Peninsula led to a dry and warm föhn wind over the ice shelf, resulting in warm and sunny conditions. Under these conditions the increase in shortwave and sensible heat fluxes is larger than the decrease of net longwave and latent heat fluxes, providing energy for significant melt.

  4. Tidal Energy Conversion Installation at an Estuarine Bridge Site: Resource Evaluation and Energy Production Estimate

    Science.gov (United States)

    Wosnik, M.; Gagnon, I.; Baldwin, K.; Bell, E.

    2015-12-01

    The "Living Bridge" project aims to create a self-diagnosing, self-reporting "smart bridge" powered by a local renewable energy source, tidal energy - transforming Memorial Bridge, a vertical lift bridge over the tidal Piscataqua River connecting Portsmouth, NH and Kittery, ME, into a living laboratory for researchers, engineers, scientists, and the community. The Living Bridge project includes the installation of a tidal turbine at the Memorial Bridge. The energy converted by the turbine will power structural health monitoring, environmental and underwater instrumentation. Utilizing locally available tidal energy can make bridge operation more sustainable, can "harden" transportation infrastructure against prolonged grid outages and can demonstrate a prototype of an "estuarine bridge of the future". A spatio-temporal tidal energy resource assessment was performed using long term bottom-deployed Acoustic Doppler Current Profilers (ADCP) at two locations: near the planned deployment location in 2013-14 for 123 days and mid-channel in 2007 for 35 days. Data were evaluated to determine the amount of available kinetic energy that can be converted into usable electrical energy on the bridge. Changes in available kinetic energy with ebb/flood and spring/neap tidal cycles and electrical energy demand were analyzed. The target deployment site exhibited significantly more energetic ebb tides than flood tides, which can be explained by the local bathymetry of the tidal estuary. A system model is used to calculate the net energy savings using various tidal generator and battery bank configurations. Different resource evaluation methodologies were also analyzed, e.g., using a representative ADCP "bin" vs. a more refined, turbine-geometry-specific methodology, and using static bin height vs. bin height that move w.r.t. the free surface throughout a tidal cycle (representative of a bottom-fixed or floating turbine deployment, respectively). ADCP operating frequencies and bin

  5. Evaluation of two typical distributed energy systems

    Science.gov (United States)

    Han, Miaomiao; Tan, Xiu

    2018-03-01

    According to the two-natural gas distributed energy system driven by gas engine driven and gas turbine, in this paper, the first and second laws of thermodynamics are used to measure the distributed energy system from the two parties of “quantity” and “quality”. The calculation results show that the internal combustion engine driven distributed energy station has a higher energy efficiency, but the energy efficiency is low; the gas turbine driven distributed energy station energy efficiency is high, but the primary energy utilization rate is relatively low. When configuring the system, we should determine the applicable natural gas distributed energy system technology plan and unit configuration plan according to the actual load factors of the project and the actual factors such as the location, background and environmental requirements of the project. “quality” measure, the utilization of waste heat energy efficiency index is proposed.

  6. Surface relaxation and surface energy of face –centered Cubic ...

    African Journals Online (AJOL)

    DR. MIKE HORSFALL

    only need to evaluate the contribution of a single nonequivalent atom per plane. Moreover, only two to three planes have to be considered in this calculation: atoms in the fourth plane and below find themselves in equilibrium, bulk-like environment. The data by. Bozzolo et al (1993) shows the (100) surface of Fcc metals.

  7. An Energy Conservation Approach to Adsorbate-Induced Surface Stress and the Extraction of Binding Energy Using Nanomechanics

    Energy Technology Data Exchange (ETDEWEB)

    Pinnaduwage, Lal A [ORNL; Boiadjiev, Vassil I [ORNL; Fernando, G. W. [University of Connecticut, Storrs; Hawk, J. E. [Oak Ridge National Laboratory (ORNL); Wijewardhana, L.C. R. [University of Cincinnati; Gehl, Anthony C [ORNL

    2008-01-01

    Microcantilevers are ideally-suited for the study of surface phenomena due to their large surface-to-volume ratios, which amplify surface effects. We show that when guest molecules bind to atoms/molecules on a microcantilever surface, the released binding energy is retained in the host surface, leading to a metastable state where the excess energy on the surface is manifested as an increase in surface stress leading to the bending of the microcantilever. When the excess energy is released, the microcantilever relaxes back to the original state, and the relaxation time depends on the particular binding process involved. Such experiments were conducted for three binding processes in vapor phase experiments: physisorption, hydrogen bonding, and chemisorption. To our knowledge, such an energy conservation approach has not been taken into account in adsorbate-induced surface effect investigations. Furthermore, these experiments illustrate that detailed molecular-level information on binding energies can be extracted from this simple micromechanical sensor.

  8. A land surface scheme for atmospheric and hydrologic models: SEWAB (Surface Energy and Water Balance)

    Energy Technology Data Exchange (ETDEWEB)

    Mengelkamp, H.T.; Warrach, K.; Raschke, E. [GKSS-Forschungszentrum Geesthacht GmbH (Germany). Inst. fuer Atmosphaerenphysik

    1997-12-31

    A soil-vegetation-atmosphere-transfer scheme is presented here which solves the coupled system of the Surface Energy and Water Balance (SEWAB) equations considering partly vegetated surfaces. It is based on the one-layer concept for vegetation. In the soil the diffusion equations for heat and moisture are solved on a multi-layer grid. SEWAB has been developed to serve as a land-surface scheme for atmospheric circulation models. Being forced with atmospheric data from either simulations or measurements it calculates surface and subsurface runoff that can serve as input to hydrologic models. The model has been validated with field data from the FIFE experiment and has participated in the PILPS project for intercomparison of land-surface parameterization schemes. From these experiments we feel that SEWAB reasonably well partitions the radiation and precipitation into sensible and latent heat fluxes as well as into runoff and soil moisture Storage. (orig.) [Deutsch] Ein Landoberflaechenschema wird vorgestellt, das den Transport von Waerme und Wasser zwischen dem Erdboden, der Vegetation und der Atmosphaere unter Beruecksichtigung von teilweise bewachsenem Boden beschreibt. Im Erdboden werden die Diffusionsgleichungen fuer Waerme und Feuchte auf einem Gitter mit mehreren Schichten geloest. Das Schema SEWAB (Surface Energy and Water Balance) beschreibt die Landoberflaechenprozesse in atmosphaerischen Modellen und berechnet den Oberflaechenabfluss und den Basisabfluss, die als Eingabedaten fuer hydrologische Modelle genutzt werden koennen. Das Modell wurde mit Daten des FIFE-Experiments kalibriert und hat an Vergleichsexperimenten fuer Landoberflaechen-Schemata im Rahmen des PILPS-Projektes teilgenommen. Dabei hat sich gezeigt, dass die Aufteilung der einfallenden Strahlung und des Niederschlages in den sensiblen und latenten Waermefluss und auch in Abfluss und Speicherung der Bodenfeuchte in SEWAB den beobachteten Daten recht gut entspricht. (orig.)

  9. An Ab Initio Based Potential Energy Surface for Water

    Science.gov (United States)

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

    1996-01-01

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

  10. 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.

  11. 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.

  12. CERES Energy Balanced and Filled(EBAF) Surface Monthly means data in netCDF

    Data.gov (United States)

    National Aeronautics and Space Administration — The Clouds and the Earth's Radiant Energy System (CERES) Energy Balanced and Filled (EBAF) Surface product provides computed monthly mean surface radiative fluxes...

  13. Nanoscale control of energy and matter in plasma-surface interactions: towards energy-efficient nanotech

    Science.gov (United States)

    Ostrikov, Kostya

    2010-11-01

    This presentation focuses on the plasma issues related to the solution of the grand challenge of directing energy and matter at nanoscales. This ability is critical for the renewable energy and energy-efficient technologies for sustainable future development. It will be discussed how to use environmentally and human health benign non-equilibrium plasma-solid systems and control the elementary processes of plasma-surface interactions to direct the fluxes of energy and matter at multiple temporal and spatial scales. In turn, this makes it possible to achieve the deterministic synthesis of self- organised arrays of metastable nanostructures in the size range beyond the reach of the present-day nanofabrication. Such structures have tantalising prospects to enhance performance of nanomaterials in virtually any area of human activity yet remain almost inaccessible because the Nature's energy minimisation rules allow only a small number of stable equilibrium states. By using precisely controlled and kinetically fast nanoscale transfer of energy and matter under non-equilibrium conditions and harnessing numerous plasma- specific controls of species creation, delivery to the surface, nucleation and large-scale self-organisation of nuclei and nanostructures, the arrays of metastable nanostructures can be created, arranged, stabilised, and further processed to meet the specific requirements of the envisaged applications. These approaches will eventually lead to faster, unprecedentedly- clean, human-health-friendly, and energy-efficient nanoscale synthesis and processing technologies for the next-generation renewable energy and light sources, biomedical devices, information and communication systems, as well as advanced functional materials for applications ranging from basic food, water, health and clean environment needs to national security and space missions.

  14. Low-energy particle treatment of GaAs surface

    International Nuclear Information System (INIS)

    Pincik, E.; Ivanco, J.; Brunner, R.; Jergel, M.; Falcony, C.; Ortega, L.; Kucera, J. M.

    2002-01-01

    The paper presents results of a complex study of surface properties of high-doped (2x10 18 cm -3 ) and semi-insulating GaAs after an interaction with the particles coming from low-energy ion sources such as RF plasma and ion beams. The virgin samples were mechano-chemically polished liquid-encapsulated Czochralski-grown GaAs (100) oriented wafers. The crystals were mounted on the grounded electrode (holder). The mixture Ar+H 2 as well as O 2 and CF 4 were used as working gases: In addition, a combination of two different in-situ exposures was applied, such as e.g. hydrogen and oxygen. Structural, electrical and optical properties of the exposed surfaces were investigated using X-ray diffraction at grazing incidence, quasi-static and high-frequency C-V curve measurements, deep-level transient spectroscopy, photo-reflectance, and photoluminescence. Plasma and ion beam exposures were performed in a commercial RF capacitively coupled plasma equipment SECON XPL-200P and a commercial LPAI device, respectively. The evolution of surface properties as a function of the pressure of working gas and the duration of exposure was observed. (Authors)

  15. Surface hardness of different restorative materials after long-term immersion in sports and energy drinks.

    Science.gov (United States)

    Erdemir, Ugur; Yildiz, Esra; Eren, Meltem Mert; Ozel, Sevda

    2012-01-01

    The purpose of this study was to evaluate the effect of sports and energy drinks on the surface hardness of different restorative materials over a 6-month period. Forty-two disk-shaped specimens were prepared for each of the four restorative materials tested: Compoglass F, Filtek Z250, Filtek Supreme, and Premise. Specimens were immersed for 2 min daily, up to 6 months, in six storage solutions (n=7 per material for each solution): distilled water, Powerade, Gatorade, X-IR, Burn, and Red Bull. Surface hardness was measured at baseline, after 1 week, 1 month, and 6 months. Data were analyzed statistically using repeated measures ANOVA followed by the Bonferroni test for multiple comparisons (α=0.05). Surface hardness of the restorative materials was significantly affected by both immersion solution and immersion period (p<0.001). All tested solutions induced significant reduction in surface hardness of the restorative materials over a 6-month immersion period.

  16. Estimation of surface energy fluxes under complex terrain of Mt. Qomolangma over the Tibetan Plateau

    NARCIS (Netherlands)

    Chen, Xuelong; Su, Zhongbo; Ma, Y.; Yang, K.; Wang, B.

    2013-01-01

    Surface solar radiation is an important parameter in surface energy balance models and in estimation of evapotranspiration. This study developed a DEM based radiation model to estimate instantaneous clear sky solar radiation for surface energy balance system to obtain accurate energy absorbed by the

  17. Using Electronic Energy Derivative Information in Automated Potential Energy Surface Construction for Vibrational Calculations.

    Science.gov (United States)

    Sparta, Manuel; Hansen, Mikkel B; Matito, Eduard; Toffoli, Daniele; Christiansen, Ove

    2010-10-12

    The availability of an accurate representation of the potential energy surface (PES) is an essential prerequisite in an anharmonic vibrational calculation. At the same time, the high dimensionality of the fully coupled PES and the adverse scaling properties with respect to the molecular size make the construction of an accurate PES a computationally demanding task. In the past few years, our group tested and developed a series of tools and techniques aimed at defining computationally efficient, black-box protocols for the construction of PESs for use in vibrational calculations. This includes the definition of an adaptive density-guided approach (ADGA) for the construction of PESs from an automatically generated set of evaluation points. Another separate aspect has been the exploration of the use of derivative information through modified Shepard (MS) interpolation/extrapolation procedures. With this article, we present an assembled machinery where these methods are embedded in an efficient way to provide both a general machinery as well as concrete computational protocols. In this framework we introduce and discuss the accuracy and computational efficiency of two methods, called ADGA[2gx3M] and ADGA[2hx3M], where the ADGA recipe is used (with MS interpolation) to automatically define modest sized grids for up to two-mode couplings, while MS extrapolation based on, respectively, gradients only and gradients and Hessians from the ADGA determined points provides access to sufficiently accurate three-mode couplings. The performance of the resulting potentials is investigated in vibrational coupled cluster (VCC) calculations. Three molecular systems serve as benchmarks: a trisubstituted methane (CHFClBr), methanimine (CH2NH), and oxazole (C3H3NO). Furthermore, methanimine and oxazole are addressed in accurate calculations aiming to reproduce experimental results.

  18. Rotational Energy Transfer of N2 Determined Using a New Ab Initio Potential Energy Surface

    Science.gov (United States)

    Huo, Winifred M.; Stallcop, James R.; Partridge, Harry; Langhoff, Stephen R. (Technical Monitor)

    1997-01-01

    A new N2-N2 rigid-rotor surface has been determined using extensive Ab Initio quantum chemistry calculations together with recent experimental data for the second virial coefficient. Rotational energy transfer is studied using the new potential energy surface (PES) employing the close coupling method below 200 cm(exp -1) and coupled state approximation above that. Comparing with a previous calculation based on the PES of van der Avoird et al.,3 it is found that the new PES generally gives larger cross sections for large (delta)J transitions, but for small (delta)J transitions the cross sections are either comparable or smaller. Correlation between the differences in the cross sections and the two PES will be attempted. The computed cross sections will also be compared with available experimental data.

  19. Evaluation of Arctic broadband surface radiation measurements

    Directory of Open Access Journals (Sweden)

    N. Matsui

    2012-02-01

    Full Text Available The Arctic is a challenging environment for making in-situ surface radiation measurements. A standard suite of radiation sensors is typically designed to measure incoming and outgoing shortwave (SW and thermal infrared, or longwave (LW, radiation. Enhancements may include various sensors for measuring irradiance in narrower bandwidths. Many solar radiation/thermal infrared flux sensors utilize protective glass domes and some are mounted on complex mechanical platforms (solar trackers that keep sensors and shading devices trained on the sun along its diurnal path. High quality measurements require striking a balance between locating stations in a pristine undisturbed setting free of artificial blockage (such as from buildings and towers and providing accessibility to allow operators to clean and maintain the instruments. Three significant sources of erroneous data in the Arctic include solar tracker malfunctions, rime/frost/snow deposition on the protective glass domes of the radiometers and operational problems due to limited operator access in extreme weather conditions. In this study, comparisons are made between the global and component sum (direct [vertical component] + diffuse SW measurements. The difference between these two quantities (that theoretically should be zero is used to illustrate the magnitude and seasonality of arctic radiation flux measurement problems. The problem of rime/frost/snow deposition is investigated in more detail for one case study utilizing both SW and LW measurements. Solutions to these operational problems that utilize measurement redundancy, more sophisticated heating and ventilation strategies and a more systematic program of operational support and subsequent data quality protocols are proposed.

  20. Surface layer scintillometry for estimating the sensible heat flux component of the surface energy balance

    Directory of Open Access Journals (Sweden)

    M. J. Savage

    2010-01-01

    Full Text Available The relatively recently developed scintillometry method, with a focus on the dual-beam surface layer scintillometer (SLS, allows boundary layer atmospheric turbulence, surface sensible heat and momentum flux to be estimated in real-time. Much of the previous research using the scintillometer method has involved the large aperture scintillometer method, with only a few studies using the SLS method. The SLS method has been mainly used by agrometeorologists, hydrologists and micrometeorologists for atmospheric stability and surface energy balance studies to obtain estimates of sensible heat from which evaporation estimates representing areas of one hectare or larger are possible. Other applications include the use of the SLS method in obtaining crucial input parameters for atmospheric dispersion and turbulence models. The SLS method relies upon optical scintillation of a horizontal laser beam between transmitter and receiver for a separation distance typically between 50 and 250 m caused by refractive index inhomogeneities in the atmosphere that arise from turbulence fluctuations in air temperature and to a much lesser extent the fluctuations in water vapour pressure. Measurements of SLS beam transmission allow turbulence of the atmosphere to be determined, from which sub-hourly, real-time and in situ path-weighted fluxes of sensible heat and momentum may be calculated by application of the Monin-Obukhov similarity theory. Unlike the eddy covariance (EC method for which corrections for flow distortion and coordinate rotation are applied, no corrections to the SLS measurements, apart from a correction for water vapour pressure, are applied. Also, path-weighted SLS estimates over the propagation path are obtained. The SLS method also offers high temporal measurement resolution and usually greater spatial coverage compared to EC, Bowen ratio energy balance, surface renewal and other sensible heat measurement methods. Applying the shortened surface

  1. The calculation of surface free energy based on embedded atom method for solid nickel

    International Nuclear Information System (INIS)

    Luo Wenhua; Hu Wangyu; Su Kalin; Liu Fusheng

    2013-01-01

    Highlights: ► A new solution for accurate prediction of surface free energy based on embedded atom method was proposed. ► The temperature dependent anisotropic surface energy of solid nickel was obtained. ► In isotropic environment, the approach does not change most predictions of bulk material properties. - Abstract: Accurate prediction of surface free energy of crystalline metals is a challenging task. The theory calculations based on embedded atom method potentials often underestimate surface free energy of metals. With an analytical charge density correction to the argument of the embedding energy of embedded atom method, an approach to improve the prediction for surface free energy is presented. This approach is applied to calculate the temperature dependent anisotropic surface energy of bulk nickel and surface energies of nickel nanoparticles, and the obtained results are in good agreement with available experimental data.

  2. High Accuracy Potential Energy Surface, Dipole Moment Surface, Rovibrational Energies and Line List Calculations for ^{14}NH_3

    Science.gov (United States)

    Coles, Phillip; Yurchenko, Sergei N.; Polyansky, Oleg; Kyuberis, Aleksandra; Ovsyannikov, Roman I.; Zobov, Nikolay Fedorovich; Tennyson, Jonathan

    2017-06-01

    We present a new spectroscopic potential energy surface (PES) for ^{14}NH_3, produced by refining a high accuracy ab initio PES to experimental energy levels taken predominantly from MARVEL. The PES reproduces 1722 matched J=0-8 experimental energies with a root-mean-square error of 0.035 cm-1 under 6000 cm^{-1} and 0.059 under 7200 cm^{-1}. In conjunction with a new DMS calculated using multi reference configuration interaction (MRCI) and H=aug-cc-pVQZ, N=aug-cc-pWCVQZ basis sets, an infrared (IR) line list has been computed which is suitable for use up to 2000 K. The line list is used to assign experimental lines in the 7500 - 10,500 cm^{-1} region and previously unassigned lines in HITRAN in the 6000-7000 cm^{-1} region. Oleg L. Polyansky, Roman I. Ovsyannikov, Aleksandra A. Kyuberis, Lorenzo Lodi, Jonathan Tennyson, Andrey Yachmenev, Sergei N. Yurchenko, Nikolai F. Zobov, J. Mol. Spec., 327 (2016) 21-30 Afaf R. Al Derzia, Tibor Furtenbacher, Jonathan Tennyson, Sergei N. Yurchenko, Attila G. Császár, J. Quant. Spectrosc. Rad. Trans., 161 (2015) 117-130

  3. 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.

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

    Directory of Open Access Journals (Sweden)

    Satoshi Maeda

    2012-01-01

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

  5. Regional warming of hot extremes accelerated by surface energy fluxes

    Science.gov (United States)

    Donat, M. G.; Pitman, A. J.; Seneviratne, S. I.

    2017-07-01

    Strong regional differences exist in how hot temperature extremes increase under global warming. Using an ensemble of coupled climate models, we examine the regional warming rates of hot extremes relative to annual average warming rates in the same regions. We identify hot spots of accelerated warming of model-simulated hot extremes in Europe, North America, South America, and Southeast China. These hot spots indicate where the warm tail of a distribution of temperatures increases faster than the average and are robust across most Coupled Model Intercomparison Project Phase 5 models. Exploring the conditions on the specific day when the hot extreme occurs demonstrates that the hot spots are explained by changes in the surface energy fluxes consistent with drying soils. However, the model-simulated accelerated warming of hot extremes appears inconsistent with observations, except over Europe. The simulated acceleration of hot extremes may therefore be unreliable, a result that necessitates a reevaluation of how climate models resolve the relevant terrestrial processes.

  6. Improved DFT Potential Energy Surfaces via Improved Densities.

    Science.gov (United States)

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

    2015-10-01

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

  7. The puckering free-energy surface of proline

    Directory of Open Access Journals (Sweden)

    Di Wu

    2013-03-01

    Full Text Available Proline has two preferred puckering states, which are often characterized by the pseudorotation phase angle and amplitude. Although proline's five endocyclic torsion angles can be utilized to calculate the phase angle and amplitude, it is not clear if there is any direct correlation between each torsion angle and the proline-puckering pathway. Here we have designed five proline puckering pathways utilizing each torsion angle χj (j = 1∼5 as the reaction coordinate. By examining the free-energy surfaces of the five puckering pathways, we find they can be categorized into two groups. The χ2 pathway (χ2 is about the Cβ—Cγ bond is especially meaningful in describing proline puckering: it changes linearly with the puckering amplitude and symmetrically with the phase angle. Our results show that this conclusion applies to both trans and cis proline conformations. We have also analyzed the correlations of proline puckering and its backbone torsion angles ϕ and ψ. We show proline has preferred puckering states at the specific regions of ϕ, ψ angles. Interestingly, the shapes of ψ-χ2 free-energy surfaces are similar among the trans proline in water, cis proline in water and cis proline in the gas phase, but they differ substantially from that of the trans proline in the gas phase. Our calculations are conducted using molecular simulations; we also verify our results using the proline conformations selected from the Protein Data Bank. In addition, we have compared our results with those calculated by the quantum mechanical methods.

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

    DEFF Research Database (Denmark)

    Gavnholt, Jeppe; Olsen, Thomas; Engelund, Mads

    2008-01-01

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

  9. Vibrational Surface Electron-Energy-Loss Spectroscopy Probes Confined Surface-Phonon Modes

    Directory of Open Access Journals (Sweden)

    Hugo Lourenço-Martins

    2017-12-01

    Full Text Available Recently, two reports [Krivanek et al. Nature (London 514, 209 (2014NATUAS0028-083610.1038/nature13870, Lagos et al. Nature (London 543, 529 (2017NATUAS0028-083610.1038/nature21699] have demonstrated the amazing possibility to probe vibrational excitations from nanoparticles with a spatial resolution much smaller than the corresponding free-space phonon wavelength using electron-energy-loss spectroscopy (EELS. While Lagos et al. evidenced a strong spatial and spectral modulation of the EELS signal over a nanoparticle, Krivanek et al. did not. Here, we show that discrepancies among different EELS experiments as well as their relation to optical near- and far-field optical experiments [Dai et al. Science 343, 1125 (2014SCIEAS0036-807510.1126/science.1246833] can be understood by introducing the concept of confined bright and dark surface phonon modes, whose density of states is probed by EELS. Such a concise formalism is the vibrational counterpart of the broadly used formalism for localized surface plasmons [Ouyang and Isaacson Philos. Mag. B 60, 481 (1989PMABDJ1364-281210.1080/13642818908205921, García de Abajo and Aizpurua Phys. Rev. B 56, 15873 (1997PRBMDO0163-182910.1103/PhysRevB.56.15873, García de Abajo and Kociak Phys. Rev. Lett. 100, 106804 (2008PRLTAO0031-900710.1103/PhysRevLett.100.106804, Boudarham and Kociak Phys. Rev. B 85, 245447 (2012PRBMDO1098-012110.1103/PhysRevB.85.245447]; it makes it straightforward to predict or interpret phenomena already known for localized surface plasmons such as environment-related energy shifts or the possibility of 3D mapping of the related surface charge densities [Collins et al. ACS Photonics 2, 1628 (2015APCHD52330-402210.1021/acsphotonics.5b00421].

  10. Vibrational Surface Electron-Energy-Loss Spectroscopy Probes Confined Surface-Phonon Modes

    Science.gov (United States)

    Lourenço-Martins, Hugo; Kociak, Mathieu

    2017-10-01

    Recently, two reports [Krivanek et al. Nature (London) 514, 209 (2014), 10.1038/nature13870, Lagos et al. Nature (London) 543, 529 (2017), 10.1038/nature21699] have demonstrated the amazing possibility to probe vibrational excitations from nanoparticles with a spatial resolution much smaller than the corresponding free-space phonon wavelength using electron-energy-loss spectroscopy (EELS). While Lagos et al. evidenced a strong spatial and spectral modulation of the EELS signal over a nanoparticle, Krivanek et al. did not. Here, we show that discrepancies among different EELS experiments as well as their relation to optical near- and far-field optical experiments [Dai et al. Science 343, 1125 (2014), 10.1126/science.1246833] can be understood by introducing the concept of confined bright and dark surface phonon modes, whose density of states is probed by EELS. Such a concise formalism is the vibrational counterpart of the broadly used formalism for localized surface plasmons [Ouyang and Isaacson Philos. Mag. B 60, 481 (1989), 10.1080/13642818908205921, García de Abajo and Aizpurua Phys. Rev. B 56, 15873 (1997), 10.1103/PhysRevB.56.15873, García de Abajo and Kociak Phys. Rev. Lett. 100, 106804 (2008), 10.1103/PhysRevLett.100.106804, Boudarham and Kociak Phys. Rev. B 85, 245447 (2012), 10.1103/PhysRevB.85.245447]; it makes it straightforward to predict or interpret phenomena already known for localized surface plasmons such as environment-related energy shifts or the possibility of 3D mapping of the related surface charge densities [Collins et al. ACS Photonics 2, 1628 (2015), 10.1021/acsphotonics.5b00421].

  11. Phonon Surface Scattering and Thermal Energy Distribution in Superlattices.

    Science.gov (United States)

    Kothari, Kartik; Maldovan, Martin

    2017-07-17

    Thermal transport at small length scales has attracted significant attention in recent years and various experimental and theoretical methods have been developed to establish the reduced thermal conductivity. The fundamental understanding of how phonons move and the physical mechanisms behind nanoscale thermal transport, however, remains poorly understood. Here we move beyond thermal conductivity calculations and provide a rigorous and comprehensive physical description of thermal phonon transport in superlattices by solving the Boltzmann transport equation and using the Beckman-Kirchhoff surface scattering theory with shadowing to precisely describe phonon-surface interactions. We show that thermal transport in superlattices can be divided in two different heat transport modes having different physical properties at small length scales: layer-restricted and extended heat modes. We study how interface conditions, periodicity, and composition can be used to manipulate the distribution of thermal energy flow among such layer-restricted and extended heat modes. From predicted frequency and mean free path spectra of superlattices, we also investigate the existence of wave effects. The results and insights in this paper advance the fundamental understanding of heat transport in superlattices and the prospects of rationally designing thermal systems with tailored phonon transport properties.

  12. A metamaterial electromagnetic energy rectifying surface with high harvesting efficiency

    Science.gov (United States)

    Duan, Xin; Chen, Xing; Zhou, Lin

    2016-12-01

    A novel metamaterial rectifying surface (MRS) for electromagnetic energy capture and rectification with high harvesting efficiency is presented. It is fabricated on a three-layer printed circuit board, which comprises an array of periodic metamaterial particles in the shape of mirrored split rings, a metal ground, and integrated rectifiers employing Schottky diodes. Perfect impedance matching is engineered at two interfaces, i.e. one between free space and the surface, and the other between the metamaterial particles and the rectifiers, which are connected through optimally positioned vias. Therefore, the incident electromagnetic power is captured with almost no reflection by the metamaterial particles, then channeled maximally to the rectifiers, and finally converted to direct current efficiently. Moreover, the rectifiers are behind the metal ground, avoiding the disturbance of high power incident electromagnetic waves. Such a MRS working at 2.45 GHz is designed, manufactured and measured, achieving a harvesting efficiency up to 66.9% under an incident power density of 5 mW/cm2, compared with a simulated efficiency of 72.9%. This high harvesting efficiency makes the proposed MRS an effective receiving device in practical microwave power transmission applications.

  13. Evaluating solar radiation on a tilted surfaces - a study case in Timis (Romania)

    International Nuclear Information System (INIS)

    Vasar, C; Prostean, O; Prostean, G

    2016-01-01

    In the last years the usage of solar energy has grown considerably in Romania, as well as in Europe, stimulated by various factors as government programs, green pricing policies, decreasing of photovoltaic components cost etc. Also, the rising demand of using Solar Energy Conversion Systems (SECS) is driven by the desire of individuals or companies to obtain energy from a clean renewable source. In many applications, remote consumers far from other energetic grids can use solar systems more cost-effectively than extending the grid to reach the location. Usually the solar energy is measured or forecast on horizontal surface, but in SECS there is needed the total solar radiation incident on the collector surface, that is oriented in a position that maximize the harvested energy. There are many models that convert the solar radiation from horizontal surface to a tilted surface, but they use empirical coefficients and the accuracy is influenced by different facts as geographical location or sky conditions. Such models were used considering measured values for solar radiation on horizontal plane, in the western part of Romania. Hourly values measured for global solar irradiation on the horizontal plane, diffuse solar irradiation on the horizontal plane and reflected solar irradiation by ground are used to compute the total solar radiation incident on different tilted surfaces. The calculated incident radiation is then compared with the real radiation measured on tilted surface in order to evaluate the performance of the considered conversion models. (paper)

  14. An Accurate Potential Energy Surface for H2O

    Science.gov (United States)

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

    1997-01-01

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

  15. Surface energy and wettability of polymers light-cured by two different systems

    Directory of Open Access Journals (Sweden)

    Fatima Maria Namen

    2011-10-01

    Full Text Available OBJECTIVE: This study evaluated the surface energy and wettability of composite resins polymerized by different light-curing units to ascertain the good wetting of tooth surfaces to achieve adhesion. MATERIAL AND METHOD: Filtek Z350 (3M ESPE, Admira (VOCO and Grandio (VOCO resins were selected for the testing procedures. The resins were light cured using LED and Halogen devices. Contact angles were measured goniometrically (Ramé-Hart F100 using water and glycerol as test liquids. Surface energy values were calculated with a software program (DROPimage Standard that uses the harmonic mean method applied to the acid-base theory. The data were analyzed statistically by ANOVA and Tukey's test with a significance of 0.05. RESULTS AND CONCLUSIONS: No statistically significant differences were found between the values of surface energy. The measured wettability differed statistically in most combinations as a function of the type of composite resin, type of light-curing unit, and the test liquid.

  16. San Jose, California: Evaluating Local Solar Energy Generation Potential (City Energy: From Data to Decisions)

    Energy Technology Data Exchange (ETDEWEB)

    Office of Strategic Programs, Strategic Priorities and Impact Analysis Team

    2017-09-29

    This fact sheet "San Jose, California: Evaluating Local Solar Energy Generation Potential" explains how the City of San Jose used data from the U.S. Department of Energy's Cities Leading through Energy Analysis and Planning (Cities-LEAP) and the State and Local Energy Data (SLED) programs to inform its city energy planning. It is one of ten fact sheets in the "City Energy: From Data to Decisions" series.

  17. Final report on the energy edge impact evaluation of 28 new, low-energy commercial buildings

    Energy Technology Data Exchange (ETDEWEB)

    Piette, M.A.; Diamond, R.; Nordman, B. [and others

    1994-08-01

    This report presents the findings of the Energy Edge Impact Evaluation. It is the fourth and final report in a series of project impact evaluation reports. Energy Edge is a research-oriented demonstration of energy efficiency in 28 new commercial buildings. Beginning in 1985,the project, sponsored by the Bonneville Power Administration (BPA), was developed to evaluate the potential for electricity conservation in new commercial buildings. By focusing on the construction of new commercial buildings, Energy Edge meets the region`s goal of capturing otherwise lost opportunities to accomplish energy conservation. That is, the best time to add an energy-efficiency measure to a building is during the construction phase.

  18. Evaluation of energy related risk acceptance (APHA energy task force)

    International Nuclear Information System (INIS)

    Hull, A.P.

    1977-01-01

    Living in a technological society with large energy requirements involves a number of related actities with attendant health risks, both to the working and to the general public. Therefore, the formulation of some general principles for risk acceptance is necessary. In addition to maximizing benefits and minimizing risk, relevant considerations must be made about the perception of risk as voluntary or involuntary, the number of persons collectively at risk at any one occasion, and the extent to which a risk is a familiar one. With regard to a given benefit, such as a given amount of energy, comparisons of the risks of alternate modes of production may be utilized. However, cost-benefit consideration is essential to the amelioration of current or prospective risks. This is unusual, since it is based on some estimate of the monetary value per premature death averted. It is proposed that increased longevity would be a more satisfactory measure. On a societal basis, large expenditures for additional energy-related pollution control do not appear justifiable since much larger, nonenergy-related health risks are relatively underaddressed. Knowledgeable health professionals could benefit the public by imparting authoritative information in this area

  19. Evaluation of energy related risk acceptance (APHA energy task force)

    Energy Technology Data Exchange (ETDEWEB)

    Hull, A.P.

    1977-01-01

    Living in a technological society with large energy requirements involves a number of related actities with attendant health risks, both to the working and to the general public. Therefore, the formulation of some general principles for risk acceptance is necessary. In addition to maximizing benefits and minimizing risk, relevant considerations must be made about the perception of risk as voluntary or involuntary, the number of persons collectively at risk at any one occasion, and the extent to which a risk is a familiar one. With regard to a given benefit, such as a given amount of energy, comparisons of the risks of alternate modes of production may be utilized. However, cost-benefit consideration is essential to the amelioration of current or prospective risks. This is unusual, since it is based on some estimate of the monetary value per premature death averted. It is proposed that increased longevity would be a more satisfactory measure. On a societal basis, large expenditures for additional energy-related pollution control do not appear justifiable since much larger, nonenergy-related health risks are relatively underaddressed. Knowledgeable health professionals could benefit the public by imparting authoritative information in this area.

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

    Science.gov (United States)

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

    2008-12-01

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

  1. Evaluating energy saving system of data centers based on AHP and fuzzy comprehensive evaluation model

    Science.gov (United States)

    Jiang, Yingni

    2018-03-01

    Due to the high energy consumption of communication, energy saving of data centers must be enforced. But the lack of evaluation mechanisms has restrained the process on energy saving construction of data centers. In this paper, energy saving evaluation index system of data centers was constructed on the basis of clarifying the influence factors. Based on the evaluation index system, analytical hierarchy process was used to determine the weights of the evaluation indexes. Subsequently, a three-grade fuzzy comprehensive evaluation model was constructed to evaluate the energy saving system of data centers.

  2. Energy Efficiency Policies around the World: Review and Evaluation

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2008-01-15

    Since 1992 the World Energy Council (WEC) and ADEME (Agency for Environment and Energy Efficiency, France) have been collaborating on a joint project ''Energy Efficiency Policies and Indicators'' with technical assistance by ENERDATA (France). The latest report presents and evaluates energy efficiency policies in nearly 70 countries around the world, with a specific focus on five policy measures: mandatory energy audits, ESCO's, energy incentives for cars, energy efficiency obligations for utilities, and 'packages of measures' for solar water heaters. The report describes the implemented measures and identifies those proven most effective.

  3. 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.

  4. Estimation of the advection effects induced by surface heterogeneities in the surface energy budget

    Science.gov (United States)

    Cuxart, Joan; Wrenger, Burkhard; Martínez-Villagrasa, Daniel; Reuder, Joachim; Jonassen, Marius O.; Jiménez, Maria A.; Lothon, Marie; Lohou, Fabienne; Hartogensis, Oscar; Dünnermann, Jens; Conangla, Laura; Garai, Anirban

    2016-07-01

    The effect of terrain heterogeneities in one-point measurements is a continuous subject of discussion. Here we focus on the order of magnitude of the advection term in the equation of the evolution of temperature as generated by documented terrain heterogeneities and we estimate its importance as a term in the surface energy budget (SEB), for which the turbulent fluxes are computed using the eddy-correlation method. The heterogeneities are estimated from satellite and model fields for scales near 1 km or broader, while the smaller scales are estimated through direct measurements with remotely piloted aircraft and thermal cameras and also by high-resolution modelling. The variability of the surface temperature fields is not found to decrease clearly with increasing resolution, and consequently the advection term becomes more important as the scales become finer. The advection term provides non-significant values to the SEB at scales larger than a few kilometres. In contrast, surface heterogeneities at the metre scale yield large values of the advection, which are probably only significant in the first centimetres above the ground. The motions that seem to contribute significantly to the advection term in the SEB equation in our case are roughly those around the hectometre scales.

  5. Estimation of the advection effects induced by surface heterogeneities in the surface energy budget

    Directory of Open Access Journals (Sweden)

    J. Cuxart

    2016-07-01

    Full Text Available The effect of terrain heterogeneities in one-point measurements is a continuous subject of discussion. Here we focus on the order of magnitude of the advection term in the equation of the evolution of temperature as generated by documented terrain heterogeneities and we estimate its importance as a term in the surface energy budget (SEB, for which the turbulent fluxes are computed using the eddy-correlation method. The heterogeneities are estimated from satellite and model fields for scales near 1 km or broader, while the smaller scales are estimated through direct measurements with remotely piloted aircraft and thermal cameras and also by high-resolution modelling. The variability of the surface temperature fields is not found to decrease clearly with increasing resolution, and consequently the advection term becomes more important as the scales become finer. The advection term provides non-significant values to the SEB at scales larger than a few kilometres. In contrast, surface heterogeneities at the metre scale yield large values of the advection, which are probably only significant in the first centimetres above the ground. The motions that seem to contribute significantly to the advection term in the SEB equation in our case are roughly those around the hectometre scales.

  6. The energy community: evaluation, five years later

    International Nuclear Information System (INIS)

    Boodts, A.

    2010-01-01

    In October 2005,the European Community and Albania, Bosnia and Herzegovina, Bulgaria, Croatia, Montenegro, the Former Yugoslav Republic of Macedonia, Romania, Serbia and UNMIK on behalf of Kosovo signed the Treaty establishing the Energy Community, which role is to provide for the creation of a single energy market and the mechanism for the operation of markets. This document first presents the energy situation and challenges in south-western Europe, and then recalls the role of the Energy Community, its organization, legislation and first results. It then discusses the enlargements of the Community in eastern Europe, Turkey, Caucasus and central Asia, and examines its possible perspectives following the enlargement (success or dilution) and its future role

  7. Geothermal Energy: Evaluation of a Resource

    Science.gov (United States)

    Bockemuehl, H. W.

    1976-01-01

    This article suggests the use of geothermal energy for producing electricity, using as an example the development at Wairakei, New Zealand. Other geothermal areas are identified, and economic and environmental co sts of additional development are explored. (Author/AV)

  8. An energy conservation approach to adsorbate-induced surface stress and the extraction of binding energy using nanomechanics

    Science.gov (United States)

    Pinnaduwage, Lal A.; Boiadjiev, Vassil I.; Hawk, John E.; Gehl, Anthony C.; Fernando, Gayanath W.; Rohana Wijewardhana, L. C.

    2008-03-01

    Surface stress induced by molecular adsorption in three different binding processes has been studied experimentally using a microcantilever sensor. A comprehensive free-energy analysis based on an energy conservation approach is proposed to explain the experimental observations. We show that when guest molecules bind to atoms/molecules on a microcantilever surface, the released binding energy is retained in the host surface, leading to a metastable state where the excess energy on the surface is manifested as an increase in surface stress leading to the bending of the microcantilever. The released binding energy appears to be almost exclusively channeled to the surface energy, and energy distribution to other channels, including heat, appears to be inactive for this micromechanical system. When this excess surface energy is released, the microcantilever relaxes back to the original state, and the relaxation time depends on the particular binding process involved. Such vapor phase experiments were conducted for three binding processes: physisorption, hydrogen bonding, and chemisorption. Binding energies for these three processes were also estimated.

  9. An energy conservation approach to adsorbate-induced surface stress and the extraction of binding energy using nanomechanics

    Energy Technology Data Exchange (ETDEWEB)

    Pinnaduwage, Lal A; Boiadjiev, Vassil I; Hawk, John E; Gehl, Anthony C [Oak Ridge National Laboratory, PO Box 2008, Oak Ridge, TN 37831-6122 (United States); Fernando, Gayanath W [Physics Department, University of Connecticut, Storrs, CT 06269 (United States); Wijewardhana, L C Rohana [Physics Department, University of Cincinnati, Cincinnati, OH 45221 (United States)

    2008-03-12

    Surface stress induced by molecular adsorption in three different binding processes has been studied experimentally using a microcantilever sensor. A comprehensive free-energy analysis based on an energy conservation approach is proposed to explain the experimental observations. We show that when guest molecules bind to atoms/molecules on a microcantilever surface, the released binding energy is retained in the host surface, leading to a metastable state where the excess energy on the surface is manifested as an increase in surface stress leading to the bending of the microcantilever. The released binding energy appears to be almost exclusively channeled to the surface energy, and energy distribution to other channels, including heat, appears to be inactive for this micromechanical system. When this excess surface energy is released, the microcantilever relaxes back to the original state, and the relaxation time depends on the particular binding process involved. Such vapor phase experiments were conducted for three binding processes: physisorption, hydrogen bonding, and chemisorption. Binding energies for these three processes were also estimated.

  10. The molar surface Gibbs energy and prediction of surface tension of [Cnpy][DCA] (n = 3, 4, 5)

    International Nuclear Information System (INIS)

    Xing, Nannan; Dai, Bing; Ma, Xiaoxue; Wei, Jie; Pan, Yi; Guan, Wei

    2016-01-01

    Highlights: • The molar surface Gibbs energy, g s was put forword. • A new Eötvös equation is obtained. The molar surface enthalpy, h, is a temperature-independent constant. • By using g s and n D , the surface tensions of [C n py][DCA] (n = 3, 4, 5) were estimated. - Abstract: Three pyridinium-based ionic liquids of [C n py][DCA] (n = 3, 4, 5) (N-alkyl-pyridinium dicyanamide) were prepared and characterized by 1 H NMR ( 1 H nuclear magnetic resonance) spectroscopy, 13 C NMR ( 13 C nuclear magnetic resonance) spectroscopy. Their densities, surface tensions and refractive indices were measured at different temperatures. The molar surface Gibbs energy, g s , critical temperature, T c and Eötvös empirical parameter related to polarity, k E , were also calculated. In terms of the concept of molar surface Gibbs energy, g s , a new Eötvös equation was obtained. It is found that the slope of the new Eötvös equation is the molar surface entropy of the ILs and the intercept is the molar surface enthalpy which is a temperature-independent constant. By using the refractive index and the molar surface Gibbs energy, an equation to predict surface tension of the ILs was derived and the predicted values of the surface tension of [C n py][DCA] (n = 3, 4, 5) are all most the same with the corresponding experimental values.

  11. Evaluation of the Reanalysis Surface Incident Shortwave Radiation Products from NCEP, ECMWF, GSFC, and JMA Using Satellite and Surface Observations

    Directory of Open Access Journals (Sweden)

    Xiaotong Zhang

    2016-03-01

    Full Text Available Solar radiation incident at the Earth’s surface (Rs is an essential component of the total energy exchange between the atmosphere and the surface. Reanalysis data have been widely used, but a comprehensive validation using surface measurements is still highly needed. In this study, we evaluated the Rs estimates from six current representative global reanalyses (NCEP–NCAR, NCEP-DOE; CFSR; ERA-Interim; MERRA; and JRA-55 using surface measurements from different observation networks [GEBA; BSRN; GC-NET; Buoy; and CMA] (674 sites in total and the Earth’s Radiant Energy System (CERES EBAF product from 2001 to 2009. The global mean biases between the reanalysis Rs and surface measurements at all sites ranged from 11.25 W/m2 to 49.80 W/m2. Comparing with the CERES-EBAF Rs product, all the reanalyses overestimate Rs, except for ERA-Interim, with the biases ranging from −2.98 W/m2 to 21.97 W/m2 over the globe. It was also found that the biases of cloud fraction (CF in the reanalyses caused the overestimation of Rs. After removing the averaged bias of CERES-EBAF, weighted by the area of the latitudinal band, a global annual mean Rs values of 184.6 W/m2, 180.0 W/m2, and 182.9 W/m2 were obtained over land, ocean, and the globe, respectively.

  12. An urban energy performance evaluation system and its computer implementation.

    Science.gov (United States)

    Wang, Lei; Yuan, Guan; Long, Ruyin; Chen, Hong

    2017-12-15

    To improve the urban environment and effectively reflect and promote urban energy performance, an urban energy performance evaluation system was constructed, thereby strengthening urban environmental management capabilities. From the perspectives of internalization and externalization, a framework of evaluation indicators and key factors that determine urban energy performance and explore the reasons for differences in performance was proposed according to established theory and previous studies. Using the improved stochastic frontier analysis method, an urban energy performance evaluation and factor analysis model was built that brings performance evaluation and factor analysis into the same stage for study. According to data obtained for the Chinese provincial capitals from 2004 to 2013, the coefficients of the evaluation indicators and key factors were calculated by the urban energy performance evaluation and factor analysis model. These coefficients were then used to compile the program file. The urban energy performance evaluation system developed in this study was designed in three parts: a database, a distributed component server, and a human-machine interface. Its functions were designed as login, addition, edit, input, calculation, analysis, comparison, inquiry, and export. On the basis of these contents, an urban energy performance evaluation system was developed using Microsoft Visual Studio .NET 2015. The system can effectively reflect the status of and any changes in urban energy performance. Beijing was considered as an example to conduct an empirical study, which further verified the applicability and convenience of this evaluation system. Copyright © 2017 Elsevier Ltd. All rights reserved.

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

    Science.gov (United States)

    Koput, Jacek

    2017-01-05

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

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

    Science.gov (United States)

    Koput, Jacek

    2017-05-05

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

  15. Quantitative evaluation of die casting surface defect severity by analyzing surface height

    Directory of Open Access Journals (Sweden)

    Yan Xu

    2017-11-01

    Full Text Available It is necessary in factories to assess the severity of the surface defects of castings, as a slight surface defect will be taken as qualified when it brings no bad effect or it can be removed by the subsequent processing. In practical production, professional technicians visually inspect the surface defect severity according to their individual experience. Therefore, it is difficult for them to maintain the same standard and accuracy in the subjective, tedious and labor-intensive work. Recently, image processing techniques based on optical images have been applied to achieve better accuracy and high efficiency. Unfortunately, optical images cannot directly quantify surface depth, which works as a crucial factor in the practical assessment of surface defect severity. The surface roughness evaluation algorithm, which takes into account of both area and depth information of the assessed surface, was applied to directly characterize surface defect severity based on surface asperity rather than optical image. The results using standard casting pieces show that surface defect severity has no apparent dependence on surface roughness. However, the subsequent results show that the root-mean-squared-deviation (RMSD of surface gradient of flow line defects positively correlates with the increase of defect severity. The other types of defect do not present such tendency. Thus, practical workpieces with flow line defects on the surface were used to verify the universality of this tendency. The results show that surface roughness of an unqualified workpiece is larger than that of a qualified workpiece after surface slope adjustment, but presents no obvious coincidence before the adjustment. In contrast, the RMSD of an unqualified workpiece, no matter before or after the adjustment, is larger than that of a qualified one.

  16. Computed Potential Energy Surfaces and Minimum Energy Pathway for Chemical Reactions

    Science.gov (United States)

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

    1994-01-01

    Computed potential energy surfaces are often required for computation of such observables as rate constants as a function of temperature, product branching ratios, and other detailed properties. We have found that computation of the stationary points/reaction pathways using CASSCF/derivative methods, followed by use of the internally contracted CI method with the Dunning correlation consistent basis sets to obtain accurate energetics, gives useful results for a number of chemically important systems. Applications to complex reactions leading to NO and soot formation in hydrocarbon combustion are discussed.

  17. Roughness, surface energy, and superficial damages of CAD/CAM materials after surface treatment.

    Science.gov (United States)

    Strasser, Thomas; Preis, Verena; Behr, Michael; Rosentritt, Martin

    2018-02-05

    The aim of this study was to examine the effects of surface pre-treatment on CAD/CAM materials including ceramics, zirconia, resin-infiltrated ceramic, and resin-based composite. Specimens were made of ten CAD/CAM materials (Celtra Duo, Degudent, D; Vita Suprinity, Vita, D; E.max CAD, Ivoclar-Vivadent, FL; E.max ZirCAD, Ivoclar-Vivadent, FL; Vita Enamic, Vita, D; Cerasmart, GC, B; LAVA Ultimate, 3M, D; SHOFU Block HC, SHOFU, US; Grandio Blocs, VOCO, D; BRILLIANT Crios, Coltene, CH) and pretreated to represent clinical procedures (Hf 20 s/5%; phosphoric acid 20 s/37%; Monobond etch and prime (Ivoclar-Vivadent, FL); water-cooled diamond bur (80 μm; 4 μm); Al 2 O 3 -blasting (50 μm/1 bar, 50 μm/2 bar, 120 μm/1 bar, 120 μm/2 bar); untreated; manufacturer's instructions). SEM-analysis (Phenom, FEI, NL) of the surfaces was performed (magnifications ≤ 10,000×). Roughness values R a , R z (KJ 3D, Keyence, J), and surface energy SE (OCA15 plus, SCA20, DataPhysics, D) were determined (statistics: non-parametric Mann-Whitney U test/Kruskal-Wallis test for independent specimen, α = 0.05). Kruskal-Wallis revealed significant (p CAD/CAM materials require individual pre-treatment for optimized and protective surface activation. Cementation is a key factor for clinical success. Given the variety of available CAD/CAM materials, specific procedures are needed.

  18. Assessing actual evapotranspiration via surface energy balance aiming to optimize water and energy consumption in large scale pressurized irrigation systems

    Science.gov (United States)

    Awada, H.; Ciraolo, G.; Maltese, A.; Moreno Hidalgo, M. A.; Provenzano, G.; Còrcoles, J. I.

    2017-10-01

    Satellite imagery provides a dependable basis for computational models that aimed to determine actual evapotranspiration (ET) by surface energy balance. Satellite-based models enables quantifying ET over large areas for a wide range of applications, such as monitoring water distribution, managing irrigation and assessing irrigation systems' performance. With the aim to evaluate the energy and water consumption of a large scale on-turn pressurized irrigation system in the district of Aguas Nuevas, Albacete, Spain, the satellite-based image-processing model SEBAL was used for calculating actual ET. The model has been applied to quantify instantaneous, daily, and seasonal actual ET over high- resolution Landsat images for the peak water demand season (May to September) and for the years 2006 - 2008. The model provided a direct estimation of the distribution of main energy fluxes, at the instant when the satellite overpassed over each field of the district. The image acquisition day Evapotranspiration (ET24) was obtained from instantaneous values by assuming a constant evaporative fraction (Λ) for the entire day of acquisition; then, monthly and seasonal ET were estimated from the daily evapotranspiration (ETdaily) assuming that ET24 varies in proportion to reference ET (ETr) at the meteorological station, thus accounting for day to day variation in meteorological forcing. The comparison between the hydrants water consumption and the actual evapotranspiration, considering an irrigation efficiency of 85%, showed that a considerable amount of water and energy can be saved at district level.

  19. Modeling Energy and Development : An Evaluation of Models and Concepts

    NARCIS (Netherlands)

    Ruijven, Bas van; Urban, Frauke; Benders, René M.J.; Moll, Henri C.; Sluijs, Jeroen P. van der; Vries, Bert de; Vuuren, Detlef P. van

    2008-01-01

    Most global energy models are developed by institutes from developed countries focusing primarily oil issues that are important in industrialized countries. Evaluation of the results for Asia of the IPCC/SRES models shows that broad concepts of energy and development. the energy ladder and the

  20. Determination of the specific surface energy of oxides and glasses in the solid-state

    International Nuclear Information System (INIS)

    Andryushechkin, S.; Karpman, M.

    2000-01-01

    The production and application of coatings on glasses are used widely in technology. The coatings on glass are used for the regulation of optical, decorative, conducting and other technological and physical properties of glass. In particular, it is important to mention the application of glass fibres for the development of composite materials. However, the specific surface energy of glass and, consequently, its adhesion characteristics are relatively low. The values of these characteristics can be changed by the application of different metallic and nonmetallic coatings is characterised by high surface energy. To produce metallic coatings with the required adhesion strength of glass, it is necessary to have information on the specific surface energy of inorganic glass of different chemical composition. The determination of the relationships between the properties and composition of glass is one of the fundamental problems. At present, a large amount of investigations have been carried out into the investigations of the properties of glass in relation to its composition. However, the problem of establishment of relationships between the properties and composition of glass are especially difficult when examining multicomponent systems (technical glass). It is therefore, in to analyse in each case the properties of not the entire system has a whole but the variation of the properties with temperature of the individual components included in the system, the subsequent application of the additivity principle. The large majority of the glasses represent combinations of oxides of the elements of groups I-III and oxides of the transition metals, forming the mixtures, solid solutions of chemical compounds in the glass production process. Thus, analysis of the characteristics of oxides of the alkali, alkali-earth and transition metals makes it possible to obtain initial data for the evaluation of the surface energy, density, molecular mass of glass containing these oxides

  1. Surface Energy Characteristics of Toner Particles by Automated Inverse Gas Chromatography

    NARCIS (Netherlands)

    Segeren, L.H.G.J.; Wouters, M.E.L.; Bos, M.; van den Berg, J.W.A.; Vancso, Gyula J.

    2002-01-01

    Inverse gas chromatography (IGC) was applied to the surface energy study of surfaces of toner particles. The dispersive component of the surface energy was determined for three toner materials by infinite dilution IGC. The values obtained were comparable to the values obtained from contact angle

  2. On the measurement of the surface energy budget over a land ...

    Indian Academy of Sciences (India)

    The measurement of surface energy balance over a land surface in an open area in Bangalore is reported. Measurements of all variables needed to calculate the surface energy balance on time scales longer than a week are made. Components of radiative fluxes are measured while sensible and latent heat fluxes are ...

  3. Performance Evaluation of Wave Energy Converters

    DEFF Research Database (Denmark)

    Pecher, Arthur

    . Guidelines for the development of wave energy converters recommend the use of different prototypes, having different sizes, which have to perform tank tests or sea trials. This implicates the need of different testing environment, which shifts from being controllable to uncontrollable with the development...... stages, and results thereby in a need for specific test objectives and procedures for each development stage. This PhD thesis has looked into the different development stages and more specifically in the performance assessment of wave energy converters based on tank testing and sea trials. The objective...

  4. Performance Evaluation of Wave Energy Converters

    DEFF Research Database (Denmark)

    Pecher, Arthur

    . Guidelines for the development of wave energy converters recommend the use of different prototypes, having different sizes, which have to perform tank tests or sea trials. Thisimplicates the need of different testing environment, which shifts from being controllable to uncontrollable with the development...... stages, and results thereby in a need for specific testobjectives and procedures for each development stage. This PhD thesis has looked into the different development stages and more specifically in the performance assessment of wave energy converters based on tank testing and sea trials. The objective...

  5. Systems Evaluation at the Cool Energy House

    Energy Technology Data Exchange (ETDEWEB)

    Williamson, J. [Steven Winter Associates, Inc., Norwalk, CT (United States); Puttagunta, S. [Steven Winter Associates, Inc., Norwalk, CT (United States)

    2013-09-01

    Steven Winter Associates, Inc. (SWA) monitored several advanced mechanical systems within a 2012 deep energy retrofitted home in the small Orlando suburb of Windermere, FL. This report provides performance results of one of the home's heat pump water heaters (HPWH) and the whole-house dehumidifier (WHD) over a six month period. In addition to assessing the energy performance of these systems,this study sought to quantify potential comfort improvements over traditional systems. This information is applicable to researchers, designers, plumbers, and HVAC contractors. Though builders and homeowners can find useful information within this report, the corresponding case studies are a likely better reference for this audience.

  6. Systems Evaluation at the Cool Energy House

    Energy Technology Data Exchange (ETDEWEB)

    J. Williamson and S. Puttagunta

    2013-09-01

    Steven Winter Associates, Inc. (SWA) monitored several advanced mechanical systems within a 2012 deep energy retrofitted home in the small Orlando suburb of Windermere, FL. This report provides performance results of one of the home's heat pump water heaters (HPWH) and the whole-house dehumidifier (WHD) over a six month period. In addition to assessing the energy performance of these systems, this study sought to quantify potential comfort improvements over traditional systems. This information is applicable to researchers, designers, plumbers, and HVAC contractors. Though builders and homeowners can find useful information within this report, the corresponding case studies are a likely better reference for this audience.

  7. Influence of surface-energy components of Ni-P-TiO2-PTFE nanocomposite coatings on bacterial adhesion.

    Science.gov (United States)

    Liu, Chen; Zhao, Qi

    2011-08-02

    The influence of total surface energy on bacterial adhesion has been investigated intensively with the frequent conclusion that bacterial adhesion is less on low-energy surfaces. However, there are also a number of contrary findings that high-energy surfaces have a smaller biofouling tendency. Recently, it was found that the CQ ratio, which is defined as the ratio of Lifshitz-van der Waals (LW) apolar to electron donor surface-energy components of substrates, has a strong correlation to bacterial adhesion. However, the electron donor surface-energy components of substrates varied over only a very limited range. In this article, a series of Ni-P-TiO(2)-PTFE nanocomposite coatings with wide range of surface-energy components were prepared using an electroless plating technique. The bacterial adhesion and removal on the coatings were evaluated with different bacteria under both static and flow conditions. The experimental results demonstrated that there was a strong correlation between bacterial attachment (or removal) and the CQ ratio. The coatings with the lowest CQ ratio had the lowest bacterial adhesion or the highest bacterial removal, which was explained using the extented DLVO theory.

  8. Novel energy saving technologies evaluation tool

    NARCIS (Netherlands)

    Klemeš, J.; Bulatov, I.; Koppejan, J.

    2009-01-01

    The lead-time for the development of a new energy technology, from the initial idea to the commercial application, can take many years. The reduction of this time has been the main objective of the EC DGTREN, who have funded two related recent projects, EMINENT and EMINENT2 (Early Market

  9. Energy efficiency and sustainability: evaluation of electricity ...

    African Journals Online (AJOL)

    ... and analysis of electricity consumer's attitudes, behaviours and practices towards energy use and sustainability. Using the random sampling method, the perception questionnaires were administered to respondents across the various streets chosen. The results indicate that although there is some level of awareness with ...

  10. Acoustic Methods for Evaluation of High Energy Explosions

    OpenAIRE

    Lobanovsky, Yury I.

    2013-01-01

    Two independent acoustic methods were used to verify the results of earlier explosion energy calculations of Chelyabinsk meteoroid. They are: estimations through a path length of infrasound wave and through maximum concentration of the wave energy. The energy of this explosion turned out the same as in earlier calculations, and it is close to 57 Mt of TNT. The first method, as well as evaluations through seismic signals and barograms, have confirmed the energy of Tunguska meteoroid explosion ...

  11. A Competitive Evaluation of Urban Energy Systems from viewpoints of Energy Conservation and Mitigating Environmental Impact

    Science.gov (United States)

    Sugihara, Hideharu; Tomioka, Hajime; Tsuji, Kiichiro

    Although various energy system alternatives for business, commercial and residential customers have been recently developed in order to reduce energy consumption and CO2 emission, it is important to evaluate competitive characteristics among such new energy system alternatives quantitatively, in consideration of tradeoff relation among economic cost, energy consumption and CO2 emission. In this paper, using multi-objective optimization model for urban energy system planning, two competitive evaluations are performed. One is the break-even cost analysis for introducing more efficient, but more expensive energy equipment, such as photovoltaic system and fuel cell system. The other is that we evaluate the competitiveness of a certain energy system from a viewpoint of whole urban area because there are multiple alternatives for attaining same target of reducing CO2 emission or energy consumption.

  12. Effect of surface energy on dispersion and mechanical properties of polymer/nanocrystalline cellulose nanocomposites.

    Science.gov (United States)

    Khoshkava, V; Kamal, M R

    2013-09-09

    Dispersion quality and polymer-filler interaction are important factors in determining the final properties of polymer nanocomposites. Surface energy of nanocrystalline cellulose (NCC) and some polymers (polypropylene, PP, and polylactic acid, PLA) was measured at room and high temperatures. NCC had higher polarity and surface energy than PP and PLA at room temperature but had a lower surface energy at higher temperatures. The effect of surface modification with alkenyl succinic anhydride (ASA) on NCC surface energy at room and high temperature was studied. Total surface energy of NCC was lowered after surface modification. Thermodynamic work of adhesion for PP/NCC and PLA/NCC was lowered by NCC surface modification. A thermodynamic analysis is proposed to estimate the dispersion energy, based on surface energy measurements at room and high temperatures. Also, a dispersion factor is defined to provide a quantitative indication of the dispersibility of nanoparticles in a polymer matrix under various conditions. The required dispersion energy was reduced by lowering the interfacial tension. On the other hand, it increased as the quality of NCC dispersion (i.e., the nanoparticle surface area) in the system was improved. Surface modification of NCC with ASA had a negative effect on the compatibility between NCC and PLA, whereas it had a positive influence on compatibility between PP and NCC.

  13. Quantifying Surface Energy Flux Estimation Uncertainty Using Land Surface Temperature Observations

    Science.gov (United States)

    French, A. N.; Hunsaker, D.; Thorp, K.; Bronson, K. F.

    2015-12-01

    Remote sensing with thermal infrared is widely recognized as good way to estimate surface heat fluxes, map crop water use, and detect water-stressed vegetation. When combined with net radiation and soil heat flux data, observations of sensible heat fluxes derived from surface temperatures (LST) are indicative of instantaneous evapotranspiration (ET). There are, however, substantial reasons LST data may not provide the best way to estimate of ET. For example, it is well known that observations and models of LST, air temperature, or estimates of transport resistances may be so inaccurate that physically based model nevertheless yield non-meaningful results. Furthermore, using visible and near infrared remote sensing observations collected at the same time as LST often yield physically plausible results because they are constrained by less dynamic surface conditions such as green fractional cover. Although sensitivity studies exist that help identify likely sources of error and uncertainty, ET studies typically do not provide a way to assess the relative importance of modeling ET with and without LST inputs. To better quantify model benefits and degradations due to LST observational inaccuracies, a Bayesian uncertainty study was undertaken using data collected in remote sensing experiments at Maricopa, Arizona. Visible, near infrared and thermal infrared data were obtained from an airborne platform. The prior probability distribution of ET estimates were modeled using fractional cover, local weather data and a Penman-Monteith mode, while the likelihood of LST data was modeled from a two-source energy balance model. Thus the posterior probabilities of ET represented the value added by using LST data. Results from an ET study over cotton grown in 2014 and 2015 showed significantly reduced ET confidence intervals when LST data were incorporated.

  14. Effect of surface free energy on PDMS transfer in microcontact printing and its application to ToF-SIMS to probe surface energies.

    Science.gov (United States)

    Yang, Li; Shirahata, Naoto; Saini, Gaurav; Zhang, Feng; Pei, Lei; Asplund, Matthew C; Kurth, Dirk G; Ariga, Katsuhiko; Sautter, Ken; Nakanishi, Takashi; Smentkowski, Vincent; Linford, Matthew R

    2009-05-19

    Although polydimethylsiloxane (PDMS) transfer during microcontact printing (microCP) has been observed in previous reports, which generally focused on only one or a few different substrates, in this work we investigate the extent of PDMS transfer onto a series of surfaces with a wide range of hydrophobicities using an uninked, unpatterned PDMS stamp. These surfaces include clean silicon, clean titanium, clean gold, "dirty" silicon, polystyrene, Teflon, surfaces modified with PEG, amino, dodecyl, and hexadecyl monolayers, and also two loose molecular materials. The PDMS transferred onto planar surfaces is, in general, easily detected by wetting and spectroscopic ellipsometry. More importantly, it is detected by time-of-flight secondary ion mass spectrometry (ToF-SIMS) because of the sensitivity of this technique to PDMS. The effect of surface free energy on PDMS transfer in microcontact printing is investigated, and the relationship between the amount of PDMS in ToF-SIMS spectra and the surface tensions of initial surfaces is revealed. We show that PDMS transfer can be applied as a probe of surface free energies using ToF-SIMS, where PDMS preferentially transfers onto more hydrophilic surface features during stamping, with little being transferred onto very hydrophobic surface features. Multivariate curve resolution (MCR) analysis of the ToF-SIMS image data further confirms and clarifies these results. Our data lend themselves to the hypothesis that it is the free energy of the surface that plays a major role in determining the degree of PDMS transfer during microCP.

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

    International Nuclear Information System (INIS)

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

  16. Surface free energy of ultra-high molecular weight polyethylene modified by electron and gamma irradiation

    International Nuclear Information System (INIS)

    Abdul-Kader, A.M.; Turos, A.; Radwan, R.M.; Kelany, A.M.

    2009-01-01

    Surface free energy of biocompatible polymers is important factor which affects the surface properties such as wetting, adhesion and biocompatibility. In the present work, the change in the surface free energy of ultra-high molecular weight polyethylene (UHMWPE) samples, which is produced by electron beam and gamma ray irradiation were, investigated. Mechanism of the changes in surface free energy induced by irradiations of doses ranging from 25 to 500 kGy was studied. FTIR technique was applied for sample analysis. Contact angle measurements showed that wettability and surface free energy of samples have increased with increasing the irradiation dose, where the values of droplet contact angle of the samples decrease gradually with increasing the radiation dose. The increase in the wettability and surface free energy of the irradiated samples are attributed to formation of hydrophilic groups on the polymer surface by the oxidation, which apparently occurs by exposure of irradiated samples to the air.

  17. Evaluating Internal Technological Capabilities in Energy Companies

    OpenAIRE

    Mingook Lee; Sungjoo Lee

    2016-01-01

    As global competition increases, technological capability must be evaluated objectively as one of the most important factors for predominance in technological competition and to ensure sustainable business excellence. Most existing capability evaluation models utilize either quantitative methods, such as patent analysis, or qualitative methods, such as expert panels. Accordingly, they may be in danger of reflecting only fragmentary aspects of technological capabilities, and produce inconsiste...

  18. 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.

  19. Energy Fluxes above Three Disparate Surfaces in a Temperate Mesoscale Coastal Catchment

    DEFF Research Database (Denmark)

    Ringgaard, Rasmus; Herbst, Mathias; Friborg, Thomas

    2011-01-01

    , eddy-covariance systems have been installed over an agricultural field, over a spruce [Picea abies (L.) H. Karst.] plantation, and on wet grassland. Measurements started in fall 2008, and the first annual series showed large differences in evaporative response among the surfaces. The annual sum...... was about 500 mm for the wet grassland and spruce plantation, while it was about 300 mm for the irrigated agricultural site. In winter, the actual evapotranspiration rate of the grassland and the forest were much larger than the available energy evaluated from the radiation balance, while at the same time...

  20. Land surface Verification Toolkit (LVT) - a generalized framework for land surface model evaluation

    Science.gov (United States)

    Kumar, S. V.; Peters-Lidard, C. D.; Santanello, J.; Harrison, K.; Liu, Y.; Shaw, M.

    2012-06-01

    Model evaluation and verification are key in improving the usage and applicability of simulation models for real-world applications. In this article, the development and capabilities of a formal system for land surface model evaluation called the Land surface Verification Toolkit (LVT) is described. LVT is designed to provide an integrated environment for systematic land model evaluation and facilitates a range of verification approaches and analysis capabilities. LVT operates across multiple temporal and spatial scales and employs a large suite of in-situ, remotely sensed and other model and reanalysis datasets in their native formats. In addition to the traditional accuracy-based measures, LVT also includes uncertainty and ensemble diagnostics, information theory measures, spatial similarity metrics and scale decomposition techniques that provide novel ways for performing diagnostic model evaluations. Though LVT was originally designed to support the land surface modeling and data assimilation framework known as the Land Information System (LIS), it supports hydrological data products from non-LIS environments as well. In addition, the analysis of diagnostics from various computational subsystems of LIS including data assimilation, optimization and uncertainty estimation are supported within LVT. Together, LIS and LVT provide a robust end-to-end environment for enabling the concepts of model data fusion for hydrological applications. The evolving capabilities of LVT framework are expected to facilitate rapid model evaluation efforts and aid the definition and refinement of formal evaluation procedures for the land surface modeling community.

  1. Environmental performance evaluation of Beijing's energy use planning

    International Nuclear Information System (INIS)

    Wang Lei; Xu Linyu; Song Huimin

    2011-01-01

    In line with rapid economic development, urban energy consumption is increasing rapidly, resulting in environmental problems. After considering several methods to evaluate the environmental performance of energy use, including: energy ecological footprint, input-output analysis, emergy-exergy analysis, and multi-criteria decision-making, an environmental performance evaluation model is proposed, which combines the analytical hierarchy process, fuzzy extent analysis, and membership degree analysis. In the model, 18 sub-indicators of environmental performance from energy use planning are classified into four categories: structure of energy use and industry, technology and efficiency of energy use, environmental impacts caused by energy use, and the socio-economic benefits of energy use. Membership degree analysis is applied to each indicator. Three energy use scenarios which are, respectively, environment-friendly, technology-led, and economic policy-led are evaluated. The results show that the technology-led energy use planning is best. The sustainable energy use policies are proposed from three aspects, including optimizing the energy use and industrial structure, encouraging development of energy-saving and air pollution control technologies, and enhancing legislation on energy use management. The policies are helpful to optimize the trade-offs between economic growth and environmental protection in Beijing. - Highlights: → Our paper establishes a system of indicators according to the structure of urban energy use planning. → We have created a comprehensive environmental performance evaluation model in the research. → The model and results can serve as an important basis for decision-making to guide local government.

  2. Modeling surface energy fluxes from a patchwork of fields with different soils and crops

    Science.gov (United States)

    Klein, Christian; Thieme, Christoph; Heinlein, Florian; Priesack, Eckart

    2017-04-01

    Agroecosystems are a dominant terrestrial land-use on planet earth and cover about 36% of the ice-free surface (12% pasture, 26% agriculture) [Foley2011]. Within this land use type, management practices vary strongly due to climate, cultural preferences, degree of industrialization, soil properties, crop rotations, field sizes, degree of land use sustainability, water availability, sowing and harvest dates, tillage, etc. These management practices influence abiotic environmental factors like water flow and heat transport within the ecosystem leading to changes of land surface fluxes. The relevance of vegetation (e.g. crops), ground cover, and soil properties to the moisture and energy exchanges between the land surface and the atmosphere is well known [McPherson 2007], but the impact of vegetation growth dynamics on energy fluxes is only partly understood [Gayler et al. 2014]. Thus, the structure of turbulence and the albedo evolve during the cropping period and large variations of heat can be measured on the field scale [Aubinet2012]. One issue of local distributed mixture of different land use is the measurement process which makes it challenging to evaluate simulations. Unfortunately, for meteorological flux-measurements like the Flux-Gradient or the Eddy Covariance (EC) method, comparability with simulations only exists in the ideal case, where fields have to be completely uniform in land use and flat within the reach of the footprint. Then a model with one specific land use would have the same underlying source area as the measurement. An elegant method to avoid the shortcoming of grid cell resolution is the so called mixed approach, which was recently implemented into the ecosystem model framework Expert-N [Biernath et al. 2013]. The aim of this study was to analyze the impact of the characteristics of five managed field plots, planted with winter wheat, potato and maize on the near surface soil moistures and on the near surface energy flux exchanges of the

  3. Coastal polynyas in the southern Weddell Sea: Variability of the surface energy budget

    Science.gov (United States)

    Renfrew, Ian A.; King, John C.; Markus, Thorsten

    2002-06-01

    The surface energy budget of coastal polynyas in the southern Weddell Sea has been evaluated for the period 1992-1998 using a combination of satellite observations, meteorological data, and simple physical models. The study focuses on polynyas that habitually form off the Ronne Ice Shelf. The coastal polynya areal data are derived from an advanced multichannel polynya detection algorithm applied to passive microwave brightness temperatures. The surface sensible and latent heat fluxes are calculated via a fetch-dependent model of the convective-thermal internal boundary layer. The radiative fluxes are calculated using well-established empirical formulae and an innovative cloud model. Standard meteorological variables that are required for the flux calculations are taken from automatic weather stations and from the National Centers for Environmental Production/National Center for Atmospheric Research reanalyses. The 7 year surface energy budget shows an overall oceanic warming due to the presence of coastal polynyas. For most of the period the summertime oceanic warming, due to the absorption of shortwave radiation, is approximately in balance with the wintertime oceanic cooling. However, the anomalously large summertime polynya of 1997-1998 allowed a large oceanic warming of the region. Wintertime freezing seasons are characterized by episodes of high heat fluxes interspersed with more quiescent periods and controlled by coastal polynya dynamics. The high heat fluxes are primarily due to the sensible heat flux component, with smaller complementary latent and radiative flux components. The average freezing season area-integrated energy exchange is 3.48 × 1019 J, with contributions of 63, 22, and 15% from the sensible, latent, and radiative components, respectively. The average melting season area-integrated energy exchange is -5.31 × 1019 J, almost entirely due to the radiative component. There is considerable interannual variability in the surface energy budget

  4. A one-layer satellite surface energy balance for estimating evapotranspiration rates and crop water stress indexes.

    Science.gov (United States)

    Barbagallo, Salvatore; Consoli, Simona; Russo, Alfonso

    2009-01-01

    Daily evapotranspiration fluxes over the semi-arid Catania Plain area (Eastern Sicily, Italy) were evaluated using remotely sensed data from Landsat Thematic Mapper TM5 images. A one-source parameterization of the surface sensible heat flux exchange using satellite surface temperature has been used. The transfer of sensible and latent heat is described by aerodynamic resistance and surface resistance. Required model inputs are brightness, temperature, fractional vegetation cover or leaf area index, albedo, crop height, roughness lengths, net radiation, air temperature, air humidity and wind speed. The aerodynamic resistance (r(ah)) is formulated on the basis of the Monin-Obukhov surface layer similarity theory and the surface resistance (r(s)) is evaluated from the energy balance equation. The instantaneous surface flux values were converted into evaporative fraction (EF) over the heterogeneous land surface to derive daily evapotranspiration values. Remote sensing-based assessments of crop water stress (CWSI) were also made in order to identify local irrigation requirements. Evapotranspiration data and crop coefficient values obtained from the approach were compared with: (i) data from the semi-empirical approach "K(c) reflectance-based", which integrates satellite data in the visible and NIR regions of the electromagnetic spectrum with ground-based measurements and (ii) surface energy flux measurements collected from a micrometeorological tower located in the experiment area. The expected variability associated with ET flux measurements suggests that the approach-derived surface fluxes were in acceptable agreement with the observations.

  5. Energy Saving Melting and Revert Reduction Technology (Energy-SMARRT): Surface/Near Surface Indication - Characterization of Surface Anomalies from Magnetic Particle and Liquid Penetrant Indications

    Energy Technology Data Exchange (ETDEWEB)

    Griffin, John A. [Univ. of Alabama, Birmingham, AL (United States). Material Science & Engineering Dept.

    2014-02-20

    The systematic study and characterization of surface indications has never been conducted. Producers and users of castings do not have any data on which they can reliably communicate the nature of these indications or their effect on the performance of parts. Clearly, the ultimate intent of any work in this area is to eliminate indications that do in fact degrade properties. However, it may be impractical physically and/or financially to eliminate all surface imperfections. This project focused on the ones that actually degrade properties. The initial work was to identify those that degrade properties. Accurate numerical simulations of casting service performance allow designers to use the geometric flexibility of castings and the superior properties of steel to produce lighter weight and more energy efficient components for transportation systems (cars and trucks), construction, and mining. Accurate simulations increase the net melting energy efficiency by improving casting yield and reducing rework and scrap. Conservatively assuming a 10% improvement in yield, approximately 1.33 x 1012 BTU/year can be saved with this technology. In addition, CO2 emissions will be reduced by approximately 117,050 tons per year.

  6. Evaluation of OSCAR ocean surface current product in the tropical ...

    Indian Academy of Sciences (India)

    Home; Journals; Journal of Earth System Science; Volume 122; Issue 1. Evaluation of OSCAR ocean surface current product in the tropical Indian Ocean using in situ data. Rajesh Sikhakolli Rashmi Sharma Sujit Basu B S Gohil Abhijit Sarkar K V S R Prasad. Volume 122 Issue 1 February 2013 pp 187-199 ...

  7. Evaluation of Surface Infiltration Testing Procedures in Permeable Pavement Systems

    Science.gov (United States)

    The ASTM method (ASTM C1701) for measuring infiltration rate of in-place pervious concrete provides limited guidance on how to select testing locations, so research is needed to evaluate how testing sites should be selected and how results should be interpreted to assess surface ...

  8. Computer numeric control subaperture aspheric surface polishing—microroughness evaluation

    Czech Academy of Sciences Publication Activity Database

    Procháska, František; Polák, Jaroslav; Matoušek, O.; Tomka, David

    2014-01-01

    Roč. 53, č. 9 (2014), 092011-092011 ISSN 0091-3286 R&D Project s: GA MŠk(CZ) ED2.1.00/03.0079 Institutional support: RVO:61389021 Keywords : aspheric polishing * optic surface microroughness evaluation Subject RIV: BH - Optics, Masers, Lasers Impact factor: 0.954, year: 2014 http://opticalengineering.spiedigitallibrary.org/article.aspx?articleid=1901511

  9. Visual evaluation of beef tenderness by using surface structural ...

    African Journals Online (AJOL)

    The steaks were evaluated by visual analysis for colour, marbling, fibre separation, surface texture and structure integrity by a 10-member trained panel. Colour was also measured by the CIE L*, a*, b* system using a Minolta meter, and tenderness was measured by means of Warner-Bratzler shear force. High negative ...

  10. evaluation of metal contaminants of surface water sources in an ...

    African Journals Online (AJOL)

    SAMSUNG

    This study evaluated the potential health risks associated with domestic use of surface water from an active Pb-Zn mine pit, compared to a ... about the health and environmental risks associated with high levels of metal ... S. O. Ngele, Department of Industrial Chemistry, Ebonyi State University Abakaliki, Nigeria. E. J. Itumoh ...

  11. New Indicators Of Burnished Surface Evaluation – Reasons Of Application

    Directory of Open Access Journals (Sweden)

    Toboła Daniel

    2015-06-01

    Full Text Available Modern production technology requires new ways of surface examination and a special kind of surface profile parameters. Industrial quality inspection needs to be fast, reliable and inexpensive. In this paper it is shown how stochastic surface examination and its proper parameters could be a solution for many industrial problems not necessarily related with smoothing out a manufactured surface. Burnishing is a modern technology widely used in aircraft and automotive industries to the products as well as to process tools. It gives to the machined surface high smoothness, and good fatigue and wear resistance. Every burnished material behaves in a different manner. Process conditions strongly influence the final properties of any specific product. Optimum burnishing conditions should be preserved for any manufactured product. In this paper we deal with samples made of conventional tool steel – Sverker 21 (X153CrMoV12 and powder metallurgy (P/M tool steel – Vanadis 6. Complete investigations of product properties are impossible to perform (because of constraints related to their cost, time, or lack of suitable equipment. Looking for a global, all-embracing quality indicator it was found that the correlation function and the frequency analysis of burnished surface give useful information for controlling the manufacturing process and evaluating the product quality. We propose three new indicators of burnishing surface quality. Their properties and usefulness are verified with the laboratory measurement of material samples made of the two mentioned kinds of tool steel.

  12. Attractiveness Evaluation of Investment in Wind Energy Projects

    Directory of Open Access Journals (Sweden)

    Paulius Rudzkis

    2012-07-01

    Full Text Available Last decade as prices of fossil energy resources were almost constantly going upwards, increasing flow of investments is directed to renewable energy resources. Development and application of green energy became one of priority objectives in many countries. While in the context of wind energy production Lithuania lags behind the EU average, its potential of wind energy usage has great perspective. In this article using random processes, cost-benefit and financial analysis, attractiveness of investment in wind energy projects is examined. Given the stochastic nature of wind energy and by looking into investment profitableness and risk factors, effectiveness of wind turbine is evaluated. Analysis showed that wind energy projects could be considered as having high profit-to-risk factor and should generate significant interest of investment community.

  13. Potential energy surface and binding energy in the presence of an external electric field: modulation of anion-π interactions for graphene-based receptors.

    Science.gov (United States)

    Foroutan-Nejad, Cina; Marek, Radek

    2014-02-14

    Measuring the binding energy or scanning the potential energy surface (PES) of the charged molecular systems in the presence of an external electric field (EEF) requires a careful evaluation of the origin-dependency of the energy of the system and references. Scanning the PES for charged or purely ionic systems for obtaining the intrinsic energy barriers needs careful analysis of the electric work applied on ions by the EEF. The binding energy in the presence of an EEF is different from that in the absence of an electric field as the binding energy is an anisotropic characteristic which depends on the orientation of molecules with respect to the EEF. In this contribution we discuss various aspects of the PES and the concept of binding energy in the presence of an EEF. In addition, we demonstrate that the anion-π bonding properties can be modulated by applying a uniform EEF, which has a more pronounced effect on the larger, more polarizable π-systems. An analogous behavior is presumed for cation-π systems. We predict that understanding the phenomenon introduced in the present account has enormous potential, for example, for separating charged species on the surface of polarizable two-dimensional materials such as graphene or the surface of carbon nanotubes, in desalination of water.

  14. Evaluating Energy Flux in Vibrofluidized Granular Bed

    Directory of Open Access Journals (Sweden)

    N. A. Sheikh

    2013-01-01

    Full Text Available Granular flows require sustained input of energy for fluidization. A level of fluidization depends on the amount of heat flux provided to the flow. In general, the dissipation of the grains upon interaction balances the heat inputs and the resultant flow patterns can be described using hydrodynamic models. However, with the increase in packing fraction, the heat fluxes prediction of the cell increases. Here, a comparison is made for the proposed theoretical models against the MD simulations data. It is observed that the variation of packing fraction in the granular cell influences the heat flux at the base. For the elastic grain-base interaction, the predictions vary appreciably compared to MD simulations, suggesting the need to accurately model the velocity distribution of grains for averaging.

  15. Agro-energy supply chain planning: a procedure to evaluate economic, energy and environmental sustainability

    OpenAIRE

    Fabrizio Ginaldi; Francesco Danuso; Franco Rosa; Alvaro Rocca; Oxana Bashanova; Emiliano Sossai

    2012-01-01

    The increasing demand for energy and expected shortage in the medium term, solicit innovative energy strategies to fulfill the increasing gap between demand-supply. For this purpose it is important to evaluate the potential supply of the energy crops and finding the areas of EU where it is most convenient. This paper proposes an agro-energy supply chain approach to planning the biofuel supply chain at a regional level. The proposed methodology is the result of an interdisciplinary team work a...

  16. Surface energy effect on free vibration of nano-sized piezoelectric double-shell structures

    Science.gov (United States)

    Fang, Xue-Qian; Zhu, Chang-Song; Liu, Jin-Xi; Liu, Xiang-Lin

    2018-01-01

    Combining Goldenveizer-Novozhilov shell theory, thin plate theory and electro-elastic surface theory, the size-dependent vibration of nano-sized piezoelectric double-shell structures under simply supported boundary condition is presented, and the surface energy effect on the natural frequencies is discussed. The displacement components of the cylindrical nano-shells and annular nano-plates are expanded as the superposition of standard Fourier series based on Hamilton's principle. The total stresses with consideration of surface energy effect are derived, and the total energy function is obtained by using Rayleigh-Ritz energy method. The free vibration equation is solved, and the natural frequency is analyzed. In numerical examples, it is found that the surface elastic constant, piezoelectric constant and surface residual stress show different effects on the natural frequencies. The effect of surface piezoelectric constant is the maximum. The effect of dimensions of the double-shell under different surface material properties is also examined.

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

    Science.gov (United States)

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

    2017-11-22

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

  18. Photoelectron binding energy shifts observed during oxidation of group IIA, IIIA and IVA elemental surfaces

    International Nuclear Information System (INIS)

    Heide, P.A.W. van der

    2006-01-01

    An extensive re-evaluation of XPS binding energies (BE's) and binding energy shifts (ΔBE's) from metals, oxides and the carbonates of the group II, III and IVA elements (exceptions are Be, Mg and Hf) has been carried out using a substrate specific BE referencing approach. From this, O-1s BE's are found to fall into surface oxide, bulk oxide and carbonate groupings, with bulk oxides showing the lowest BE's followed by surface oxides (+∼1.5 eV) and then carbonates (+∼3.0 eV). The O-1s BE's from the bulk oxides also appear to scale with 1/d, where d is inter-atomic distance. The same is noted in the ΔBE's observed from the metallic counterparts during oxidation of the elemental surfaces. This, and the decreasing BE exhibited by Ca, Sr and Ba on oxidation is explained within the charge potential model as resulting from competing inter- and intra-atomic effects, and is shown to be consistent with partial covalency arguments utilizing Madulung potentials. The ΔBE's also fall into groups according to the elements location in the periodic table, i.e. s, p or d block. These trends open up the possibility of approximating ΔBE's arising from initial and final state effects, and bond distances

  19. Surface free energy of enamel treated with sodium hexametaphosphate, calcium and phosphate.

    Science.gov (United States)

    Neves, José Guilherme; Danelon, Marcelle; Pessan, Juliano Pelim; Figueiredo, Leonardo Raniel; Camargo, Emerson Rodrigues; Delbem, Alberto Carlos Botazzo

    2018-03-20

    This study evaluated the capacity of sodium hexametaphosphate (HMP) at different concentrations to alter the surface properties of dental enamel in order to increase calcium and phosphate adsorption. Bovine enamel blocks (4 mm × 4 mm, n = 144, 12/group) were divided: 0%; 0.25%; 0.5%; and 1% HMP, followed or not by application of solutions containing Ca or Ca-PO 4 , totaling 12 groups. The treatments were performed for 2 min, and the surface free energy (mN/m) was calculated by measuring the contact angles of three probing liquids (deionized water, diiodomethane and ethylene glycol), which was used to determine the polar and nonpolar components of the enamel surface. Calcium (Ca), phosphate (PO 4 ) and HMP in the solutions treatment solutions were analyzed before and after treatment. The data presented normal and homogeneous distribution and then were subjected to ANOVA, followed by Student-Newman Keuls' test (p < 0.05). The higher the% of HMP in the solutions, the greater HMP adsorption and more electron-donor sites on enamel surface were achieved (p < 0.05). Also, Ca adsorption was higher with increasing% HMP in the solutions (p < 0.05), which in turn reduced electron-donor sites on enamel surface. Increased Ca and PO 4 adsorption occurred at 0.5% and 1% HMP after treatment with Ca-PO 4 solution, resulting in a less electron-donor sites on surface when compared to the other treatments (P < 0.05). HMP leads to a more electron-donor sites on enamel surface, what promotes greater adsorption of Ca and PO 4 ions. Copyright © 2018 Elsevier Ltd. All rights reserved.

  20. Usage of analytical diagnostics when evaluating functional surface material defects

    Directory of Open Access Journals (Sweden)

    R. Frischer

    2015-10-01

    Full Text Available There are occurring defects due to defects mechanisms on parts of production devices surfaces. Outer defects pronouncement is changing throw the time with unequal speed. This variability of defect’s mechanism development cause that is impossible to evaluate technical state of the device in any moment, without the necessary underlying information. Proposed model is based on analytical diagnostics basis. Stochastic model with usage of Weibull probability distribution can assign probability of function surface defect occurrence on the operational information in any moment basis. The knowledge of defect range limiting moment, then enable when and in what range will be necessary to make renewal.

  1. INPRO Methodology to evaluate the Mexico nuclear energy system

    International Nuclear Information System (INIS)

    Cruz S, R. R.; Martin del C, C.

    2016-09-01

    The International Atomic Energy Agency has developed the so-called International Project on Fuel Cycles and Innovative Nuclear Reactors (INPRO), in order to make nuclear energy available to meet the energy needs of the 21 century, in a sustainable way. One of the tasks of the project is the evaluation of the nuclear systems, to check whether they meet the objectives of the project and whether they are sustainable. This paper explains the rationale and general characteristics of the project in the evaluation of nuclear energy systems based on the concept of sustainable development. It describes the methodology developed to carry out this evaluation, divided into seven areas, such as economic, environmental, security, etc., which together make up the sustainable development of energy through nuclear systems. The economic area is analyzed and the evaluation criteria and parameters established by INPRO are discussed, in order to evaluate the Mexican nuclear energy system using Nest (software developed within the same project) as a tool to support the economic evaluation of nuclear systems. Based on the energy strategy proposed by the Energy Secretary of the Mexican Government which seeks to reduce the greenhouse gas emissions from the national electricity generation park, two types of reactor of currently available technology (A BWR and AP1000), were compared and these in turn with other alternative energy generation technologies, such as combined cycle, geothermal and wind plants. Also, the results of the application of the INPRO methodology are presented. Finally, the recommendations on actions that could lead the Mexican nuclear energy system towards sustainable development and conclusions on the application of the methodology to the Mexican case are mentioned. (Author)

  2. Energy balance evaluation of industrial buildings with an office complex

    Directory of Open Access Journals (Sweden)

    Juozas Bielskus

    2015-10-01

    Full Text Available While evaluating the energy savings potential in buildings of different function we face the energy balance of current situation evaluation problem. Generally the data of energy flows quantities and the nature of their dynamics are agregated and do not reflect the indicators of the achieved microclimate. Therefore this article analyses the energy balance following the example of one-year data collection analysis in a company’s building complex. The investigated problem is evaluated by the system analysis approach, i.e. the analysed object system is divided into separate subsystems which have been simulated individually but considering the subsystems joint relations in the system. The methods applied in this work are heat and mass balance of separate subsystems and statistical analysis method. The statistical analysis was used for the evaluation of the statistical reliability of the accumulated indicators (temperature, relative humidity, etc..

  3. Surface influence on convoy electron emission at low energies

    International Nuclear Information System (INIS)

    Sanchez, E.A.

    1988-01-01

    It is studied the dependence of the production of convoy electrons induced by H + - 60 KeV with surface conditions of Al targets by in situ deposition of Na and O. The conclusion is that convoy electron production increases with the work function of the surface. (A.C.A.S.) [pt

  4. Analysis and evaluation of the applicability of green energy technology

    Science.gov (United States)

    Xu, Z. J.; Song, Y. K.

    2017-11-01

    With the seriousness of environmental issues and the shortage of resources, the applicability of green energy technology has been paid more and more attention by scholars in different fields. However, the current researches are often single in perspective and simple in method. According to the Theory of Applicable Technology, this paper analyzes and defines the green energy technology and its applicability from the all-around perspectives of symbiosis of economy, society, environment and science & technology etc., and correspondingly constructs the evaluation index system. The paper further applies the Fuzzy Comprehensive Evaluation to the evaluation of its applicability, discusses in depth the evaluation models and methods, and explains in detail with an example. The author holds that the applicability of green energy technology involves many aspects of economy, society, environment and science & technology and can be evaluated comprehensively by an index system composed of a number of independent indexes. The evaluation is multi-object, multi-factor, multi-level and fuzzy comprehensive, which is undoubtedly correct, effective and feasible by the Fuzzy Comprehensive Evaluation. It is of vital theoretical and practical significance to understand and evaluate comprehensively the applicability of green energy technology for the rational development and utilization of green energy technology and for the better promotion of sustainable development of human and nature.

  5. Introduction course on the economical evaluation of energy projects

    International Nuclear Information System (INIS)

    Jansen, J.C.

    1992-06-01

    A theoretical course on the financial and economical evaluation of energy projects is presented. The course was organized by the Banque Mondiale in Bujumbura, Burundi, from 11 to 16 November 1991. Subsequently attention is paid to the basics of economic analysis, the financial and the economical analysis of an investment project, and finally the prices of energy products. 4 figs., 13 refs

  6. National Weatherization Assistance Program Evaluation: Assessment of Refrigerator Energy Use

    Energy Technology Data Exchange (ETDEWEB)

    Tonn, Bruce Edward [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Goeltz, Rick [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

    2015-03-01

    This report assesses the energy consumption characteristics and performance of refrigerators that were monintored as a component of the Indoor Air Quality Study that itself was a component of the retrospective evaluation of the Department of Energy's Weatherization Assistance Program.

  7. Field Evaluation of a Near Zero Energy Home in Oklahoma

    Energy Technology Data Exchange (ETDEWEB)

    Hendron, R.; Hancock, E.; Barker, G.; Reeves, P.

    2008-08-01

    The authors evaluated a zero energy home built by Ideal Homes in Edmond, Oklahoma, that included an extensive package of energy-efficient technologies and a photovoltaic array for site electricity generation. The home was part of a Building America research project in partnership with the Building Science Consortium to exhibit high efficiency technologies while keeping costs within the reach of average home buyers.

  8. Refined ab initio intermolecular ground-state potential energy surface for the He-C2H2 van der Waals complex

    DEFF Research Database (Denmark)

    Fernández, Berta; Henriksen, Christian; Farrelly, David

    2013-01-01

    A refined CCSD(T) intermolecular potential energy surface is developed for the He-C2H2 van der Waals complex. For this, 206 points on the intermolecular potential energy surface, evaluated using the CCSD(T) method and the aug-cc-pVQZ basis set extended with a set of 3s3p2d1f1g midbond functions...... previously by Munteanu and Fernández (J. Chem. Phys., 123, 014309, 2005) but differs notably at short range. The improved potential energy surface should, therefore, be particularly useful for computations of collision line broadening. Dynamical calculations of a number of rovibrational bound state energies...

  9. An Energy Efficiency Evaluation Method Based on Energy Baseline for Chemical Industry

    Directory of Open Access Journals (Sweden)

    Dong-mei Yao

    2016-01-01

    Full Text Available According to the requirements and structure of ISO 50001 energy management system, this study proposes an energy efficiency evaluation method based on energy baseline for chemical industry. Using this method, the energy plan implementation effect in the processes of chemical production can be evaluated quantitatively, and evidences for system fault diagnosis can be provided. This method establishes the energy baseline models which can meet the demand of the different kinds of production processes and gives the general solving method of each kind of model according to the production data. Then the energy plan implementation effect can be evaluated and also whether the system is running normally can be determined through the baseline model. Finally, this method is used on cracked gas compressor unit of ethylene plant in some petrochemical enterprise; it can be proven that this method is correct and practical.

  10. 75 FR 7457 - Notice of Public Hearing on Stone Energy Corporation Proposed Surface Water Withdrawal and...

    Science.gov (United States)

    2010-02-19

    ... projects follow: Stone Energy Corporation D-2009-13-1. An application for approval of a surface water... DELAWARE RIVER BASIN COMMISSION Notice of Public Hearing on Stone Energy Corporation Proposed Surface Water Withdrawal and Natural Gas Well Site SUMMARY: Because of the high level of public interest...

  11. Modelling evapotranspiration using the surface energy balance systems (sebs) and landsat tm data (rabat region, morocco)

    NARCIS (Netherlands)

    Kwast, J. van der; Jong, S.M. de

    2004-01-01

    Modelling and understanding the surface energy balance is important for assessing the re-distribution of moisture and heat in soil and atmosphere. The Surface Energy Balance System (SEBS) estimates turbulent heat fluxes using satellite earth observation data in the visible, near infrared, and

  12. On the Surface Free Energy of PVC/EVA Polymer Blends: Comparison of Different Calculation Methods.

    Science.gov (United States)

    Michalski; Hardy; Saramago

    1998-12-01

    The surface free energy of polymeric films of polyvinylchloride (PVC) + poly(ethylene-co-vinylacetate) (EVA) blends was calculated using the van Oss treatment (Lifshitz and electron donor-electron acceptor components of surface free energy) and the Owens-Wendt treatment (dispersive and nondispersive components of surface free energy). Surface free energy results were found to be greatly dependent on the calculation method and on the number of standard liquids used for contact angle measurements. The nondispersive/donor-acceptor surface free energy component and the total surface free energy of polymeric films were always higher when the van Oss treatment was used compared to the Owens-Wendt treatment. Conversely, both methods led to similar apolar/Lifshitz components. All the calculation methods were in good agreement for the surface free energy of PVC; however, a discrepancy between the methods arose as EVA content in the blends increased. It seems that there is not yet a definite solution for the calculation of solid surface free energy. Further developments of existing models are needed in order to gain consistency when calculating this important physicochemical quantity. Copyright 1998 Academic Press.

  13. 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...

  14. 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…

  15. The Influence of Rain Sensible Heat and Subsurface Energy Transport on the Energy Balance at the Land Surface

    NARCIS (Netherlands)

    Kollet, S.J.; Cvijanovic, I.; Schüttemeyer, D.; Maxwell, R.M.; Moene, A.F.; Bayer, P.

    2009-01-01

    In land surface models, which account for the energy balance at the land surface, subsurface heat transport is an important component that reciprocally influences ground, sensible, and latent heat fluxes and net radiation. In most models, subsurface heat transport parameterizations are commonly

  16. Surface structure determinations of crystalline ionic thin films grown on transition metal single crystal surfaces by low energy electron diffraction

    Energy Technology Data Exchange (ETDEWEB)

    Roberts, Joel Glenn [Univ. of California, Berkeley, CA (United States)

    2000-05-01

    The surface structures of NaCl(100), LiF(100) and alpha-MgCl2(0001) adsorbed on various metal single crystals have been determined by low energy electron diffraction (LEED). Thin films of these salts were grown on metal substrates by exposing the heated metal surface to a molecular flux of salt emitted from a Knudsen cell. This method of investigating thin films of insulators (ionic salts) on a conducting substrate (metal) circumvents surface charging problems that plagued bulk studies, thereby allowing the use of electron-based techniques to characterize the surface.

  17. Components of near-surface energy balance derived from satellite soundings – Part 1: Net available energy

    OpenAIRE

    K. Mallick; A. Jarvis; G. Wohlfahrt; G. Kiely; T. Hirano; A. Miyata; S. Yamamoto; L. Hoffmann

    2014-01-01

    This paper introduces a relatively simple method for recovering global fields of near-surface net available energy (the sum of the sensible and latent heat flux or the difference between the net radiation and surface heat accumulation) using satellite visible and infra-red products derived from the AIRS (Atmospheric Infrared Sounder) and MODIS (MOderate Resolution Imaging Spectroradiometer) platforms. The method focuses on first specifying net surface radiation by con...

  18. Evaluation of energy efficiency policy instruments effectiveness : case study Croatia

    International Nuclear Information System (INIS)

    Bukarica, V.

    2007-01-01

    This paper proposed a theoretical basis for evaluating energy efficiency policy in the Republic of Croatia and corroborated it with the analysis of energy efficiency market development and transformation. The current status of the market was evaluated and policy instruments were adapted to achieve optimal results. In particular, the energy efficiency market in Croatia was discussed in terms of micro and macro environment factors that influence policy making processes and the choice of policy instruments. The macro environment for energy efficiency market in Croatia is the process of European Union pre-integration with all related national and international legislation, political and economical factors and potential to use financial funds. The micro environment consists of government institutions, local financing institutions and a range of market players on the supply and demand side. Energy efficiency is the most powerful and cost-effective way for achieving goals of sustainable development. Policy instruments developed to improve energy efficiency are oriented towards a cleaner environment, better standard of living, more competitive industry and improved security of energy supply. Energy efficiency is much harder to implement and requires policy interventions. In response to recent trends in the energy sector, such as deregulation and open competition, policy measures aimed at improving energy efficiency should shift from an end-users oriented approach towards a whole market approach. The optimal policy instruments mix should be designed to meet defined targets. However, market dynamics must be taken into consideration. 9 refs., 4 figs

  19. Incident energy dependence of scattering behavior of water molecules on Si (100) and graphite surfaces

    Science.gov (United States)

    Kihara, G.; Kotsubo, Y.; Yoshimoto, Y.; Kinefuchi, I.; Takagi, S.

    2016-11-01

    The interaction between water molecules and solid surfaces has a great impact on water vapor flows in nanostructures. We conduct molecular beam scattering experiments covering the incident energy range corresponding to the thermal energy at room temperature to investigate the scattering behavior of water molecules on silicon and graphite surfaces. The incident energy dependence of the scattering distributions exhibits opposite trends on these surfaces. Molecular dynamics simulations reveal that the difference is caused by the inertia effect of the incident molecules and the surface corrugations.

  20. The formation energy for steps and kinks on cubic transition metal surfaces

    DEFF Research Database (Denmark)

    Vitos, Levente; Skriver, Hans Lomholt; Kollàr, Janos

    1999-01-01

    We have used our first-principles database of surface energies for metals in conjunction with the concept of vicinal surfaces to derive the energies of formation of monoatomic steps and corresponding kinks on close-packed surface facets of bcc and fee transition metals. The entries in the database...... allow for a direct calculation of the energies of a number of important steps. For the remaining steps and for all the kinks the energies of formation have been estimated from pair potential expansions of the entries in the database. (C) 1999 Elsevier Science B.V. All rights reserved....

  1. Evaluation of energy efficiency opportunities of a typical Moroccan cement plant: Part I. Energy analysis

    International Nuclear Information System (INIS)

    Fellaou, S.; Bounahmidi, T.

    2017-01-01

    Highlights: • We have analyzed the degree of freedom of the overall system. • We validated the redundant measurements by the Lagrange multipliers technique. • We have analyzed the mass and the energy balances by two approaches. • We identified the factors that penalize the energetic performance of the whole plant. • We assessed options to improve energy efficiency of the entire cement plant. - Abstract: The cement industry is one of Morocco’s most highly energy intensive economic sectors. It suffers from abnormally high cost of energy supplies, representing more than two thirds of the cost of cement; the first item of expenditure is electricity and fuel with 40% and 30% respectively. Herefor, much more effort is needed to make the cement sector reach energy saving targets set by the Moroccan energy efficiency strategy. The present work aims to evaluate energy performance of an existing Moroccan cement plant based on a detailed mass and energy balances analysis. Redundant measurements were validated by the Lagrange multipliers technique before being used for the calculation of unmeasured variables. The values for energy consumption and related losses through the whole production line are reported, and the results obtained have been used to assess the energy performance of the process. The evaluation was completed by both an analysis of possible energy loss sources and important solutions described in the international literature to improve the energy efficiency of the entire cement plant.

  2. Evaluation of Cellulosic Fabrics Surface Characteristics after Different Treatments

    OpenAIRE

    Vitalija MASTEIKAITĖ; Ulzan SMAILOVA; Maira NURZHASAROVA; Virginija SACEVIČIENĖ; Tadas KLEVECKAS

    2014-01-01

    Various clothes treatments during their manufacture and wear change the fabrics physical and surface characteristics. The different testing methods for fabrics quality evaluation are used in this research. The aim of this work is to examine the effect of enzyme treatment, laundering and abrasion on the appearance of different cellulosic fabrics. Six cotton and cotton blend woven fabrics used for faded garments production were chosen for this examination. Treatments such, as enzyme wash, domes...

  3. Near-Surface Meteorology During the Arctic Summer Cloud Ocean Study (ASCOS): Evaluation of Reanalyses and Global Climate Models.

    Science.gov (United States)

    De Boer, G.; Shupe, M.D.; Caldwell, P.M.; Bauer, Susanne E.; Persson, O.; Boyle, J.S.; Kelley, M.; Klein, S.A.; Tjernstrom, M.

    2014-01-01

    Atmospheric measurements from the Arctic Summer Cloud Ocean Study (ASCOS) are used to evaluate the performance of three atmospheric reanalyses (European Centre for Medium Range Weather Forecasting (ECMWF)- Interim reanalysis, National Center for Environmental Prediction (NCEP)-National Center for Atmospheric Research (NCAR) reanalysis, and NCEP-DOE (Department of Energy) reanalysis) and two global climate models (CAM5 (Community Atmosphere Model 5) and NASA GISS (Goddard Institute for Space Studies) ModelE2) in simulation of the high Arctic environment. Quantities analyzed include near surface meteorological variables such as temperature, pressure, humidity and winds, surface-based estimates of cloud and precipitation properties, the surface energy budget, and lower atmospheric temperature structure. In general, the models perform well in simulating large-scale dynamical quantities such as pressure and winds. Near-surface temperature and lower atmospheric stability, along with surface energy budget terms, are not as well represented due largely to errors in simulation of cloud occurrence, phase and altitude. Additionally, a development version of CAM5, which features improved handling of cloud macro physics, has demonstrated to improve simulation of cloud properties and liquid water amount. The ASCOS period additionally provides an excellent example of the benefits gained by evaluating individual budget terms, rather than simply evaluating the net end product, with large compensating errors between individual surface energy budget terms that result in the best net energy budget.

  4. Energy dependent neutron sputtering and surface damage cross sections

    International Nuclear Information System (INIS)

    Odette, G.R.; Doiron, D.R.; Kennerley, R.J.

    1976-01-01

    The results clearly indicate that damage function analysis might be usefully applied to define both the neutron and primary recoil energy dependence of sputtering yields. Even with relatively large data errors, it appears that it is possible to both detect the existence and indicate the form of the deviation of sputtering yield from linear damage energy dependence (if such deviation exists). This information would be very useful in developing improved models of the sputtering phenomena

  5. 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

  6. Upscaling surface energy fluxes over the North Slope of Alaska using airborne eddy-covariance measurements and environmental response functions

    Science.gov (United States)

    Serafimovich, Andrei; Metzger, Stefan; Hartmann, Jörg; Kohnert, Katrin; Zona, Donatella; Sachs, Torsten

    2018-03-01

    The objective of this study was to upscale airborne flux measurements of sensible heat and latent heat and to develop high resolution flux maps. In order to support the evaluation of coupled atmospheric/land-surface models we investigated spatial patterns of energy fluxes in relation to land-surface properties. We used airborne eddy-covariance measurements acquired by the POLAR 5 research aircraft in June-July 2012 to analyze surface fluxes. Footprint-weighted surface properties were then related to 21 529 sensible heat flux observations and 25 608 latent heat flux observations using both remote sensing and modelled data. A boosted regression tree technique was used to estimate environmental response functions between spatially and temporally resolved flux observations and corresponding biophysical and meteorological drivers. In order to improve the spatial coverage and spatial representativeness of energy fluxes we used relationships extracted across heterogeneous Arctic landscapes to infer high-resolution surface energy flux maps, thus directly upscaling the observational data. These maps of projected sensible heat and latent heat fluxes were used to assess energy partitioning in northern ecosystems and to determine the dominant energy exchange processes in permafrost areas. This allowed us to estimate energy fluxes for specific types of land cover, taking into account meteorological conditions. Airborne and modelled fluxes were then compared with measurements from an eddy-covariance tower near Atqasuk. Our results are an important contribution for the advanced, scale-dependent quantification of surface energy fluxes and provide new insights into the processes affecting these fluxes for the main vegetation types in high-latitude permafrost areas.

  7. Hydraulic Evaluation of the LEANCON Wave Energy Converter

    DEFF Research Database (Denmark)

    Kofoed, Jens Peter; Frigaard, Peter

    This report is a product of the co-operation agreement between Aalborg University and LEANCON (by Kurt Due Rasmussen) on the evaluation and development of the LEANCON wave energy converter (WEC). The work reported here has focused on evaluation of the power production of the device, based on labo...

  8. Exploration, Sampling, And Reconstruction of Free Energy Surfaces with Gaussian Process Regression.

    Science.gov (United States)

    Mones, Letif; Bernstein, Noam; Csányi, Gábor

    2016-10-11

    Practical free energy reconstruction algorithms involve three separate tasks: biasing, measuring some observable, and finally reconstructing the free energy surface from those measurements. In more than one dimension, adaptive schemes make it possible to explore only relatively low lying regions of the landscape by progressively building up the bias toward the negative of the free energy surface so that free energy barriers are eliminated. Most schemes use the final bias as their best estimate of the free energy surface. We show that large gains in computational efficiency, as measured by the reduction of time to solution, can be obtained by separating the bias used for dynamics from the final free energy reconstruction itself. We find that biasing with metadynamics, measuring a free energy gradient estimator, and reconstructing using Gaussian process regression can give an order of magnitude reduction in computational cost.

  9. Molecular beam studies of energy transfer in scattering from crystal surfaces

    International Nuclear Information System (INIS)

    Guthrie, W.L.

    1983-01-01

    The translational energy distributions and angular distributions of D 2 O produced from the reaction of incident D 2 and O 2 on a (111) platinum single crystal surface have been measured through the use of a molecular beam-surface scattering apparatus equipped with a time-of-flight spectrometer. The translation energies were measured over the surface temperature range T/sub s/ = 664 K - 913 K and at scattering angles of 7 0 and 40 0 from the surface normal. The D 2 O translational energy, , was found to be approximately half the equilibrium value over the temperature range examined, with /2k varying from 280 K to 480 K. These results are discussed in terms of a non-equilibrium desorption model. The two-photon ionization spectrometer was built to investigate the internal rotational and vibrational energy distributions of NO scattered from Pt(111) surfaces. The rotational energy distributions were measured over the crystal temperature range of T/sub s/ = 400 K - 1200 K. The translational energy distributions and angular distributions were measured using the time-of-flight spectrometer over the crystal temperature range of 400 K - 110 K and for beam translational energies of 0.046 eV, 0.11 eV and 0.24 eV, so that complete energy exchange information for translation, rotation and vibration is available for this gas-surface system. Significant energy transfer was observed in all three modes

  10. Full charge-density calculation of the surface energy of metals

    DEFF Research Database (Denmark)

    Vitos, Levente; Kollár, J..; Skriver, Hans Lomholt

    1994-01-01

    We have calculated the surface energy and the work function of the 4d metals by means of an energy functional based on a self-consistent, spherically symmetric atomic-sphere potential. In this approach the kinetic energy is calculated completely within the atomic-sphere approximation (ASA) by mea...

  11. On the measurement of the surface energy budget over a land ...

    Indian Academy of Sciences (India)

    the seasonal time scale, the net longwave radiation is the largest energy loss term at the experi- mental site. The seasonal variation in the energy sink term is small compared to that in the energy source term. 1. Introduction. Land surface temperature is an important meteoro- logical variable and is required in many practi-.

  12. Computational methods for planning and evaluating geothermal energy projects

    International Nuclear Information System (INIS)

    Goumas, M.G.; Lygerou, V.A.; Papayannakis, L.E.

    1999-01-01

    In planning, designing and evaluating a geothermal energy project, a number of technical, economic, social and environmental parameters should be considered. The use of computational methods provides a rigorous analysis improving the decision-making process. This article demonstrates the application of decision-making methods developed in operational research for the optimum exploitation of geothermal resources. Two characteristic problems are considered: (1) the economic evaluation of a geothermal energy project under uncertain conditions using a stochastic analysis approach and (2) the evaluation of alternative exploitation schemes for optimum development of a low enthalpy geothermal field using a multicriteria decision-making procedure. (Author)

  13. 4H-SiC surface energy tuning by nitrogen up-take

    Energy Technology Data Exchange (ETDEWEB)

    Pitthan, E., E-mail: eduardo.pitthan@ufrgs.br [Institute for Advanced Materials, Devices and Nanotechnology, Rutgers University, Piscataway, NJ 08854 (United States); PGMICRO, UFRGS, 91509-900, Porto Alegre, RS (Brazil); Amarasinghe, V.P. [Institute for Advanced Materials, Devices and Nanotechnology, Rutgers University, Piscataway, NJ 08854 (United States); Xu, C.; Gustafsson, T. [Institute for Advanced Materials, Devices and Nanotechnology, Rutgers University, Piscataway, NJ 08854 (United States); Department of Physics and Astronomy, Rutgers University, Piscataway, NJ 08854 (United States); Stedile, F.C. [PGMICRO, UFRGS, 91509-900, Porto Alegre, RS (Brazil); Instituto de Química, UFRGS, 91509-900, Porto Alegre, RS (Brazil); Feldman, L.C. [Institute for Advanced Materials, Devices and Nanotechnology, Rutgers University, Piscataway, NJ 08854 (United States); Department of Physics and Astronomy, Rutgers University, Piscataway, NJ 08854 (United States)

    2017-04-30

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

  14. Laser energy-pooling processes in an optically thick Cs vapor near a dissipative surface

    International Nuclear Information System (INIS)

    Gagne, Jean-Marie; Le Bris, Karine; Gagne, Marie-Claude

    2002-01-01

    We characterize, for the first time to our knowledge, the laser-induced backward fluorescence (retrofluorescence) spectra that result from energy-pooling collisions between Cs atoms near a dissipative thin Cs layer on a glass substrate. We resolve, experimentally and theoretically, the laser spectroscopic problem of energy-pooling processes related to the nature of the glass-metallic vapor interface. Our study focused on the integrated laser-induced retrofluorescence spectra for the 455.5-nm (7 2 P 3/2 -6 2 S 1/2 ) and 852.2-nm (6 2 P 3/2 -6 2 S 1/2 ) lines as a function of laser scanning through pumping resonance at the 852.2-nm line. We experimentally investigate the retrofluorescence from 420 to 930 nm, induced by a diode laser tuned either in the wings or in the center of the pumping resonance line. We present a detailed theoretical model of the retrofluorescence signal based on the radiative transfer equation, taking into account the evanescent wave of the excited atomic dipole strongly coupled with a dissipative surface. Based on theoretical and experimental results, we evaluate the effective nonradiative transfer rate A(bar sign) 6 2 P 3/2 →6 2 S 1/2s f for atoms in the excited 6 2 P 3/2 level located in the near-field region of the surface of the cell. Values extracted from the energy-pooling process analysis are equivalent to those found directly from the 852.2-nm resonance retrofluorescence line. We show that the effective energy-pooling coefficients k-tilde 7 2 P 3/2 and k-tilde 7 2 P 1/2 are approximately equal. The agreement between theory and experiment is remarkably good, considering the simplicity of the model

  15. Two component silicone modified epoxy foul release coatings: Effect of modulus, surface energy and surface restructuring on pseudobarnacle and macrofouling behavior

    International Nuclear Information System (INIS)

    Rath, S.K.; Chavan, J.G.; Sasane, Savita; Jagannath; Patri, M.; Samui, A.B.; Chakraborty, B.C.

    2010-01-01

    Two component silicone modified epoxy resin based low surface energy and non-toxic foul release coatings were developed. Silicone modified epoxy resin with 15 and 30% silicone content was used as component A and a polyether diamine (Jeffamine-500) was used as the component B. Free standing films were prepared by casting a mixture of components A and B in stoichiometric proportions. The surface composition, surface topography and wetting properties of the coatings were studied by angle resolved X-ray photoelectron spectroscopy (XPS), atomic force microscopy (AFM) and contact angle goniometry respectively. The mechanical properties of the cured films were evaluated by tensile measurements as well as dynamic mechanical analysis. Pseudobarnacles made of aluminium studs were attached to the coated panels and adhesion tests were carried out by a pseudobarnacle tester. Coated panels were exposed in Mumbai harbor for fouling studies for a period of 90 days. Surface restructuring studies of the coatings upon immersion in seawater were carried out by measuring the changes in advancing and receding contact angles by contact angle goniometry. The effect of surface energy, modulus and surface restructuring of the coatings on the macrofouling and pseudobarnacle adhesion properties has been discussed in detail.

  16. Surface Energy and Mass Balance Model for Greenland Ice Sheet and Future Projections

    Science.gov (United States)

    Liu, Xiaojian

    The Greenland Ice Sheet contains nearly 3 million cubic kilometers of glacial ice. If the entire ice sheet completely melted, sea level would raise by nearly 7 meters. There is thus considerable interest in monitoring the mass balance of the Greenland Ice Sheet. Each year, the ice sheet gains ice from snowfall and loses ice through iceberg calving and surface melting. In this thesis, we develop, validate and apply a physics based numerical model to estimate current and future surface mass balance of the Greenland Ice Sheet. The numerical model consists of a coupled surface energy balance and englacial model that is simple enough that it can be used for long time scale model runs, but unlike previous empirical parameterizations, has a physical basis. The surface energy balance model predicts ice sheet surface temperature and melt production. The englacial model predicts the evolution of temperature and meltwater within the ice sheet. These two models can be combined with estimates of precipitation (snowfall) to estimate the mass balance over the Greenland Ice Sheet. We first compare model performance with in-situ observations to demonstrate that the model works well. We next evaluate how predictions are degraded when we statistically downscale global climate data. We find that a simple, nearest neighbor interpolation scheme with a lapse rate correction is able to adequately reproduce melt patterns on the Greenland Ice Sheet. These results are comparable to those obtained using empirical Positive Degree Day (PDD) methods. Having validated the model, we next drove the ice sheet model using the suite of atmospheric model runs available through the CMIP5 atmospheric model inter-comparison, which in turn built upon the RCP 8.5 (business as usual) scenarios. From this exercise we predict how much surface melt production will increase in the coming century. This results in 4-10 cm sea level equivalent, depending on the CMIP5 models. Finally, we try to bound melt water

  17. Molecular dynamics simulation of temperature effects on low energy near-surface cascades and surface damage in Cu

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Guo; Sun, Jiangping; Guo, Xiongxiong; Zou, Xixi; Zhang, Libin; Gan, Zhiyin, E-mail: ganzhiyin@126.com

    2017-06-15

    The temperature effects on near-surface cascades and surface damage in Cu(0 0 1) surface under 500 eV argon ion bombardment were studied using molecular dynamics (MD) method. In present MD model, substrate system was fully relaxed for 1 ns and a read-restart scheme was introduced to save total computation time. The temperature dependence of damage production was calculated. The evolution of near-surface cascades and spatial distribution of adatoms at varying temperature were analyzed and compared. It was found that near-surface vacancies increased with temperature, which was mainly due to the fact that more atoms initially located in top two layers became adatoms with the decrease of surface binding energy. Moreover, with the increase of temperature, displacement cascades altered from channeling-like structure to branching structure, and the length of collision sequence decreased gradually, because a larger portion of energy of primary knock-on atom (PKA) was scattered out of focused chain. Furthermore, increasing temperature reduced the anisotropy of distribution of adatoms, which can be ascribed to that regular registry of surface lattice atoms was changed with the increase of thermal vibration amplitude of surface atoms.

  18. Molecular dynamics simulation of temperature effects on low energy near-surface cascades and surface damage in Cu

    Science.gov (United States)

    Zhu, Guo; Sun, Jiangping; Guo, Xiongxiong; Zou, Xixi; Zhang, Libin; Gan, Zhiyin

    2017-06-01

    The temperature effects on near-surface cascades and surface damage in Cu(0 0 1) surface under 500 eV argon ion bombardment were studied using molecular dynamics (MD) method. In present MD model, substrate system was fully relaxed for 1 ns and a read-restart scheme was introduced to save total computation time. The temperature dependence of damage production was calculated. The evolution of near-surface cascades and spatial distribution of adatoms at varying temperature were analyzed and compared. It was found that near-surface vacancies increased with temperature, which was mainly due to the fact that more atoms initially located in top two layers became adatoms with the decrease of surface binding energy. Moreover, with the increase of temperature, displacement cascades altered from channeling-like structure to branching structure, and the length of collision sequence decreased gradually, because a larger portion of energy of primary knock-on atom (PKA) was scattered out of focused chain. Furthermore, increasing temperature reduced the anisotropy of distribution of adatoms, which can be ascribed to that regular registry of surface lattice atoms was changed with the increase of thermal vibration amplitude of surface atoms.

  19. Pilot Evaluation of Energy Savings from Residential Energy Demand Feedback Devices

    Energy Technology Data Exchange (ETDEWEB)

    Parker, Danny S. [Florida Solar Energy Center, Cocoa, FL (United States); Hoak, David [Florida Solar Energy Center, Cocoa, FL (United States); Cummings, Jamie [Florida Solar Energy Center, Cocoa, FL (United States)

    2008-01-01

    This report discusses instantaneous feedback on household electrical demand has shown promise to reduce energy consumption. This report reviews past research and describes a two year pilot evaluation of a low cost residential energy feedback system installed in twenty case study homes in FL.

  20. Microclimatic models. Estimation of components of the energy balance over land surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Heikinheimo, M.; Venaelaeinen, A.; Tourula, T. [Finnish Meteorological Inst., Helsinki (Finland). Air Quality Dept.

    1996-12-31

    Climates at regional scale are strongly dependent on the interaction between atmosphere and its lower boundary, the oceans and the land surface mosaic. Land surfaces influence climate through their albedo, and the aerodynamic roughness, the processes of the biosphere and many soil hydrological properties; all these factors vary considerably geographically. Land surfaces receive a certain portion of the solar irradiance depending on the cloudiness, atmospheric transparency and surface albedo. Short-wave solar irradiance is the source of the heat energy exchange at the earth`s surface and also regulates many biological processes, e.g. photosynthesis. Methods for estimating solar irradiance, atmospheric transparency and surface albedo were reviewed during the course of this project. The solar energy at earth`s surface is consumed for heating the soil and the lower atmosphere. Where moisture is available, evaporation is one of the key components of the surface energy balance, because the conversion of liquid water into water vapour consumes heat. The evaporation process was studied by carrying out field experiments and testing parameterisation for a cultivated agricultural surface and for lakes. The micrometeorological study over lakes was carried out as part of the international `Northern Hemisphere Climatic Processes Experiment` (NOPEX/BAHC) in Sweden. These studies have been aimed at a better understanding of the energy exchange processes of the earth`s surface-atmosphere boundary for a more accurate and realistic parameterisation of the land surface in atmospheric models

  1. The use of low energy alkali ion scattering as a probe of surface structure

    International Nuclear Information System (INIS)

    Overbury, S.H.

    1987-01-01

    An overview is given of the use of low energy ion scattering as a probe of surface structure with emphasis on work done using alkali ions. Various schemes for extracting structural information from the ion energy and angle distribution are discussed in therms of advantages and disadvantages of each. The scattering potential, which is the primary nonstructural parameter needed for analysis, is discussed in terms of recent experimental results. The structures of clean and reconstructed surfaces are discussed, with examples of measurements of layer relaxations on the Mo (111) surface and missing row reconstructions on the Au (110) and Pt (110) surfaces. Studies of adsorbate covered surfaces are presented with respect to location of the adsorbate and its effect on the structure of the underlying substrate. Finally, examples are given which demonstrate the sensitivity of ion scattering to surface defects and disordering on reconstructed Au (110) and Pt (110) surfaces and reconstructed Mo (111) surfaces, and to ordering of adsorbates on Mo

  2. Earthquake Energy Distribution along the Earth Surface and Radius

    International Nuclear Information System (INIS)

    Varga, P.; Krumm, F.; Riguzzi, F.; Doglioni, C.; Suele, B.; Wang, K.; Panza, G.F.

    2010-07-01

    The global earthquake catalog of seismic events with M W ≥ 7.0, for the time interval from 1950 to 2007, shows that the depth distribution of earthquake energy release is not uniform. The 90% of the total earthquake energy budget is dissipated in the first ∼30km, whereas most of the residual budget is radiated at the lower boundary of the transition zone (410 km - 660 km), above the upper-lower mantle boundary. The upper border of the transition zone at around 410 km of depth is not marked by significant seismic energy release. This points for a non-dominant role of the slabs in the energy budged of plate tectonics. Earthquake number and energy release, although not well correlated, when analysed with respect to the latitude, show a decrease toward the polar areas. Moreover, the radiated energy has the highest peak close to (±5 o ) the so-called tectonic equator defined by Crespi et al. (2007), which is inclined about 30 o with respect to the geographic equator. At the same time the presence of a clear axial co- ordination of the radiated seismic energy is demonstrated with maxima at latitudes close to critical (±45 o ). This speaks about the presence of external forces that influence seismicity and it is consistent with the fact that Gutenberg-Richter law is linear, for events with M>5, only when the whole Earth's seismicity is considered. These data are consistent with an astronomical control on plate tectonics, i.e., the despinning (slowing of the Earth's angular rotation) of the Earth's rotation caused primarily by the tidal friction due to the Moon. The mutual position of the shallow and ∼660 km deep earthquake energy sources along subduction zones allows us to conclude that they are connected with the same slab along the W-directed subduction zones, but they may rather be disconnected along the opposed E-NE-directed slabs, being the deep seismicity controlled by other mechanisms. (author)

  3. Evaluation strategy of regenerative braking energy for supercapacitor vehicle.

    Science.gov (United States)

    Zou, Zhongyue; Cao, Junyi; Cao, Binggang; Chen, Wen

    2015-03-01

    In order to improve the efficiency of energy conversion and increase the driving range of electric vehicles, the regenerative energy captured during braking process is stored in the energy storage devices and then will be re-used. Due to the high power density of supercapacitors, they are employed to withstand high current in the short time and essentially capture more regenerative energy. The measuring methods for regenerative energy should be investigated to estimate the energy conversion efficiency and performance of electric vehicles. Based on the analysis of the regenerative braking energy system of a supercapacitor vehicle, an evaluation system for energy recovery in the braking process is established using USB portable data-acquisition devices. Experiments under various braking conditions are carried out. The results verify the higher efficiency of energy regeneration system using supercapacitors and the effectiveness of the proposed measurement method. It is also demonstrated that the maximum regenerative energy conversion efficiency can reach to 88%. Copyright © 2014 ISA. Published by Elsevier Ltd. All rights reserved.

  4. Laser treatment of dental ceramic/cement layers: transmitted energy, temperature effects and surface characterisation.

    Science.gov (United States)

    Pich, Olena; Franzen, René; Gutknecht, Norbert; Wolfart, Stefan

    2015-02-01

    In the present paper, we investigate the behaviour of different dental materials under laser irradiation. We have used e.max Ceram, e.max ZirCAD, and e.max Press dental ceramics and glass ionomer cement Ketac Cem in the present study. The dental ceramics were prepared in the form of samples with thickness of 0.5-2 mm. We used two lasers [solid-state laser (Er:YAG, Fidelis III+, Fotona) and an 810- nm diode laser (FOX, A.R.C)] for the transillumination of ceramic samples. It has been shown that the laser energy transmitted through the ceramic material decreases to 30-40% of the original values along with an increase in the thickness of the irradiated sample. Pigmented ceramic samples show more laser energy loss compared to the samples containing no pigment. We investigated the temperature evolution in composite sandwiched ceramic/cement samples under laser treatment. The increase in the irradiation time and laser power led to a temperature increase of up to 80 °C. The surfaces of irradiated ceramic samples were examined with X-ray photoelectron spectroscopy to evaluate changes in chemical composition, such as a decrease in the C signal, accompanied by a strong increase in the Zr peak for the Er:YAG laser, while the 810-nm diode laser showed no change in the ratio of elements on the surface.

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

    DEFF Research Database (Denmark)

    Olsen, Thomas; Gavnholt, Jeppe; Schiøtz, Jakob

    2009-01-01

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

  6. Radiation exchange between persons and surfaces for building energy simulations

    DEFF Research Database (Denmark)

    Vorre, Mette Havgaard; Jensen, Rasmus Lund; Dreau, Jerome Le

    2015-01-01

    Thermal radiation within buildings is a significant component of thermal comfort. Typically the methods applied for calculating view factors between a person and its building surfaces requires great computational time. This research developed a view factor calculation method suitable for building...

  7. Evaluation of Surface Modification as a Lunar Dust Mitigation Strategy for Thermal Control Surfaces

    Science.gov (United States)

    Gaier, James R.; Waters, Deborah L.; Misconin, Robert M.; Banks, Bruce A.; Crowder, Mark

    2011-01-01

    Three surface treatments were evaluated for their ability to lower the adhesion between lunar simulant dust and AZ93, AlFEP, and AgFEP thermal control surfaces under simulated lunar conditions. Samples were dusted in situ and exposed to a standardized puff of nitrogen gas. Thermal performance before dusting, after dusting, and after part of the dust was removed by the puff of gas, were compared to perform the assessment. None of the surface treatments was found to significantly affect the adhesion of lunar simulants to AZ93 thermal control paint. Oxygen ion beam texturing also did not lower the adhesion of lunar simulant dust to AlFEP or AgFEP. But a workfunction matching coating and a proprietary Ball Aerospace surface treatment were both found to significantly lower the adhesion of lunar simulants to AlFEP and AgFEP. Based on these results, it is recommended that all these two techniques be further explored as dust mitigation coatings for AlFEP and AgFEP thermal control surfaces.

  8. Improvement of Polytetrafluoroethylene Surface Energy by Repetitive Pulse Non-Thermal Plasma Treatment in Atmospheric Air

    International Nuclear Information System (INIS)

    Yang Guoqing; Zhang Guanjun; Zhang Wenyuan

    2011-01-01

    Improvement of polytetrafluoroethylene surface energy by non-thermal plasma treatment is presented, using a nanosecond-positive-edge repetitive pulsed dielectric barrier discharge generator in atmospheric air. The electrical parameters including discharging power, peak and density of micro-discharge current were calculated, and the electron energy was estimated. Surface treatment experiments of polytetrafluoroethylene films were conducted for both different applied voltages and different treating durations. Results show that the surface energy of polytetrafluoroethylene film could be improved to 40 mJ/m 2 or more by plasma treatment. Surface roughness measurement and surface X-ray photoelectron spectroscopy analysis indicate that there are chemical etching and implantation of polar oxygen groups in the sample surface treating process, resulting in the improvement of the sample surface energy. Compared with an AC source of 50 Hz, the dielectric barrier discharges generated by a repetitive pulsed source could provide higher peak power, lower mean power, larger micro-discharge current density and higher electron energy. Therefore, with the same applied peak voltage and treating duration, the improvement of polytetrafluoroethylene surface energy using repetitive pulsed plasma is more effective, and the plasma treatment process based on repetitive pulsed dielectric barrier discharges in air is thus feasible and applicable.

  9. Intermediate evaluation of USAID/Cairo energy policy planning project

    Energy Technology Data Exchange (ETDEWEB)

    Wilbanks, T.J.; Wright, S.B. (Oak Ridge National Lab., TN (United States)); Barron, W.F. (Hong Kong Univ. (Hong Kong)); Kamel, A.M. (Ain Shams Univ., Cairo (Egypt)); Santiago, H.T. (USDOE, Washington, DC (United States))

    1992-01-01

    Three years ago, a team from the Oak Ridge National Laboratory and the Oak Ridge Associated Universities, supplemented by an expert from the US Department of Energy and a senior Egyptian energy professional, carried out what was termed an intermediate evaluation'' of a major energy policy project in Egypt. Supported by USAID/Cairo, the project had concentrated on developing and strengthening an Organization for Energy Planning (OEP) within the Government of India, and it was actually scheduled to end less than a year after this evaluation. The evaluation was submitted to USAID/Cairo and circulated elsewhere in the US Agency for International Development and the Government of Egypt as an internal report. Over the next several years, the USAID energy planning project ended and the functions performed by OEP were merged with planning capabilities in the electric power sector. Now that the major issues addressed by the evaluation report have been resolved, we are making it available to a broader audience as a contribution to the general literature on development project evaluation and institution-building.

  10. Intermediate evaluation of USAID/Cairo energy policy planning project

    Energy Technology Data Exchange (ETDEWEB)

    Wilbanks, T.J.; Wright, S.B. [Oak Ridge National Lab., TN (United States); Barron, W.F. [Hong Kong Univ. (Hong Kong); Kamel, A.M. [Ain Shams Univ., Cairo (Egypt); Santiago, H.T. [USDOE, Washington, DC (United States)

    1992-09-01

    Three years ago, a team from the Oak Ridge National Laboratory and the Oak Ridge Associated Universities, supplemented by an expert from the US Department of Energy and a senior Egyptian energy professional, carried out what was termed an ``intermediate evaluation`` of a major energy policy project in Egypt. Supported by USAID/Cairo, the project had concentrated on developing and strengthening an Organization for Energy Planning (OEP) within the Government of India, and it was actually scheduled to end less than a year after this evaluation. The evaluation was submitted to USAID/Cairo and circulated elsewhere in the US Agency for International Development and the Government of Egypt as an internal report. Over the next several years, the USAID energy planning project ended and the functions performed by OEP were merged with planning capabilities in the electric power sector. Now that the major issues addressed by the evaluation report have been resolved, we are making it available to a broader audience as a contribution to the general literature on development project evaluation and institution-building.

  11. Vicinage effects in energy loss and electron emission during grazing scattering of heavy molecular ions from a solid surface

    International Nuclear Information System (INIS)

    Song Yuanhong; Wang Younian; Miskovic, Z.L.

    2005-01-01

    Vicinage effects in the energy loss and the electron emission spectra are studied in the presence of Coulomb explosion of swift, heavy molecular ions, during their grazing scattering from a solid surface. The dynamic response of the surface is treated by means of the dielectric theory within the specular reflection model using the plasmon pole approximation for the bulk dielectric function, whereas the angle-resolved energy spectra of the electrons emitted from the surface are obtained on the basis of the first-order, time-dependent perturbation theory. The evolution of the charge states of the constituent ions in the molecule during scattering is described by a nonequilibrium extension of the Brandt-Kitagawa model. The molecule scattering trajectories and the corresponding Coulomb explosion dynamics are evaluated for the cases of the internuclear axis being either aligned in the beam direction or randomly oriented in the directions parallel to the surface. Our calculations show that the vicinage effect in the energy loss is generally weaker for heavy molecules than for light molecules. In addition, there is clear evidence of the negative vicinage effect in both the energy loss and the energy spectra of the emitted electrons for molecular ions at lower speeds and with the axis aligned in the direction of motion

  12. Oxathiiranes 8 On the OCS2 Singlet Potential Energy Surface

    DEFF Research Database (Denmark)

    Carlsen, Lars

    1982-01-01

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

  13. Observations of discrete energy loss effects in spectra of positrons reflected from solid surfaces

    International Nuclear Information System (INIS)

    Dale, J.M.; Hulett, L.D.; Pendyala, S.

    1980-01-01

    Surfaces of tungsten and silicon have been bombarded with monoenergetic beams of positrons and electrons. Spectra of reflected particles show energy loss tails with discrete peaks at kinetic energies about 15 eV lower than that of the elastic peaks. In the higher energy loss range for tungsten, positron spectra show fine structure that is not apparent in the electron spectra. This suggests that the positrons are losing energy through mechanisms different from that of the electrons

  14. Evaluation of AECB-1119, risk of energy production

    International Nuclear Information System (INIS)

    1978-01-01

    The Inhaber report, 'Risk of Energy Production', is evaluated based on how the conclusions of the report match its objectives, the methodology used to reach the report's conclusions, and the presentation of the report. The authors recommend that a second volume containing the pertinent data used in the report should be published; and that total risks should be calculated ignoring material acquisition, construction and transportation risks, using the actual energy output of the various systems without imposing a backup energy supply, and comparing systems in such a way that death, injury and disease risks may be considered separately. They propose that the Atomic Energy Control Board should show how the report results relate to nuclear safety, and that the AECB should clarify the criteria for evaluating the small probability of a catastrophic nuclear accident. The response of the author of AECB--1119 is given in a separate section

  15. Evaluation of energy fluxes in the NCEP climate forecast system version 2.0 (CFSv2)

    Science.gov (United States)

    Rai, Archana; Saha, Subodh Kumar

    2018-01-01

    The energy fluxes at the surface and top of the atmosphere (TOA) from a long free run by the NCEP climate forecast system version 2.0 (CFSv2) are validated against several observation and reanalysis datasets. This study focuses on the annual mean energy fluxes and tries to link it with the systematic cold biases in the 2 m air temperature, particularly over the land regions. The imbalance in the long term mean global averaged energy fluxes are also evaluated. The global averaged imbalance at the surface and at the TOA is found to be 0.37 and 6.43 Wm-2, respectively. It is shown that CFSv2 overestimates the land surface albedo, particularly over the snow region, which in turn contributes to the cold biases in 2 m air temperature. On the other hand, surface albedo is highly underestimated over the coastal region around Antarctica and that may have contributed to the warm bias over that oceanic region. This study highlights the need for improvements in the parameterization of snow/sea-ice albedo scheme for a realistic simulation of surface temperature and that may have implications on the global energy imbalance in the model.

  16. Spatiotemporal variability in surface energy balance across tundra, snow and ice in Greenland

    DEFF Research Database (Denmark)

    Lund, Magnus; Stiegler, Christian; Abermann, Jakob

    2017-01-01

    The surface energy balance (SEB) is essential for understanding the coupled cryosphere–atmosphere system in the Arctic. In this study, we investigate the spatiotemporal variability in SEB across tundra, snow and ice. During the snow-free period, the main energy sink for ice sites is surface melt....... For tundra, energy is used for sensible and latent heat flux and soil heat flux leading to permafrost thaw. Longer snow-free period increases melting of the Greenland Ice Sheet and glaciers and may promote tundra permafrost thaw. During winter, clouds have a warming effect across surface types whereas during...

  17. Reconnoitering the effect of shallow groundwater on land surface temperature and surface energy balance using MODIS and SEBS

    Directory of Open Access Journals (Sweden)

    F. Alkhaier

    2012-07-01

    Full Text Available The possibility of observing shallow groundwater depth and areal extent using satellite measurements can support groundwater models and vast irrigation systems management. Moreover, these measurements can help to include the effect of shallow groundwater on surface energy balance within land surface models and climate studies, which broadens the methods that yield more reliable and informative results. To examine the capacity of MODIS in detecting the effect of shallow groundwater on land surface temperature and the surface energy balance in an area within Al-Balikh River basin in northern Syria, we studied the interrelationship between in-situ measured water table depths and land surface temperatures measured by MODIS. We, also, used the Surface Energy Balance System (SEBS to calculate surface energy fluxes, evaporative fraction and daily evaporation, and inspected their relationships with water table depths. We found out that the daytime temperature increased while the nighttime temperature decreased when the depth of the water table increased. And, when the water table depth increased, net radiation, latent and ground heat fluxes, evaporative fraction and daily evaporation decreased, while sensible heat flux increased. This concords with the findings of a companion paper (Alkhaier et al., 2012. The observed clear relationships were the result of meeting both conditions that were concluded in the companion paper, i.e. high potential evaporation and big contrast in day-night temperature. Moreover, the prevailing conditions in this study area helped SEBS to yield accurate estimates. Under bare soil conditions and under the prevailing weather conditions, we conclude that MODIS is suitable for detecting the effect of shallow groundwater because it has proper imaging times and adequate sensor accuracy; nevertheless, its coarse spatial resolution is disadvantageous.

  18. Reconnoitering the effect of shallow groundwater on land surface temperature and surface energy balance using MODIS and SEBS

    Science.gov (United States)

    Alkhaier, F.; Su, Z.; Flerchinger, G. N.

    2012-07-01

    The possibility of observing shallow groundwater depth and areal extent using satellite measurements can support groundwater models and vast irrigation systems management. Moreover, these measurements can help to include the effect of shallow groundwater on surface energy balance within land surface models and climate studies, which broadens the methods that yield more reliable and informative results. To examine the capacity of MODIS in detecting the effect of shallow groundwater on land surface temperature and the surface energy balance in an area within Al-Balikh River basin in northern Syria, we studied the interrelationship between in-situ measured water table depths and land surface temperatures measured by MODIS. We, also, used the Surface Energy Balance System (SEBS) to calculate surface energy fluxes, evaporative fraction and daily evaporation, and inspected their relationships with water table depths. We found out that the daytime temperature increased while the nighttime temperature decreased when the depth of the water table increased. And, when the water table depth increased, net radiation, latent and ground heat fluxes, evaporative fraction and daily evaporation decreased, while sensible heat flux increased. This concords with the findings of a companion paper (Alkhaier et al., 2012). The observed clear relationships were the result of meeting both conditions that were concluded in the companion paper, i.e. high potential evaporation and big contrast in day-night temperature. Moreover, the prevailing conditions in this study area helped SEBS to yield accurate estimates. Under bare soil conditions and under the prevailing weather conditions, we conclude that MODIS is suitable for detecting the effect of shallow groundwater because it has proper imaging times and adequate sensor accuracy; nevertheless, its coarse spatial resolution is disadvantageous.

  19. Apparent Surface Free Energy of Polymer/Paper Composite Material Treated by Air Plasma

    Directory of Open Access Journals (Sweden)

    Konrad Terpiłowski

    2017-01-01

    Full Text Available Surface plasma treatment consists in changes of surface properties without changing internal properties. In this paper composite polymer/paper material is used for production of packaging in cosmetic industry. There are problems with bonding this material at the time of packaging production due to its properties. Composite surface was treated by air plasma for 1, 10, 20, and 30 s. The advancing and receding contact angles of water, formamide, and diiodomethane were measured using both treated and untreated samples. Apparent surface free energy was estimated using the hysteresis (CAH and Van Oss, Good, Chaudhury approaches (LWAB. Surface roughness was investigated using optical profilometry and identification of after plasma treatment emerging chemical groups was made by means of the XPS (X-ray photoelectron spectroscopy technique. After plasma treatment the values of contact angles decreased which is particularly evident for polar liquids. Apparent surface free energy increased compared to that of untreated samples. Changes of energy value are due to the electron-donor parameter of energy. This parameter increases as a result of adding polar groups at the time of surface plasma activation. Changes of surface properties are combination of increase of polar chemical functional groups, increase on the surface, and surface roughness increase.

  20. Surface structures from low energy electron diffraction: Atoms, small molecules and an ordered ice film on metal surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Materer, Nicholas F. [Univ. of California, Berkeley, CA (United States)

    1995-09-01

    We investigated the surface bonding of various adsorbates (0, S, C2H3 and NO) along with the resulting relaxation of the Pt(111) surface using low energy electron diffiraction (LEED). LEED experiments have been performed on these ordered overlayers along with theoretical structural analysis using automated tensor LEED (ATLEED). The resulting surface structures of these ordered overlayers exhibit similar adsorbate-induced relaxations. In all cases the adsorbate occupies the fcc hollow site and induces an approximately 0.1 A buckling of the metal surface. The three metal atoms directly bonded to the adsorbate are ``pulled`` out of the surface and the metal atom that is not bound to the adsorbate is `pushed`` inward. In order to understand the reliability of such details, we have carried out a comprehensive study of various non-structural parameters used in a LEED computation. We also studied the adsorption of water on the Pt(lll) surface. We ordered an ultra thin ice film on this surface. The film`s surface is found to be the (0001) face of hexagonal ice. This surface is apparently terminated by a full-bilayer, in which the uppermost water molecules have large vibrational amplitudes even at temperatures as low as 90 K. We examined two other metal surfaces besides Pt(111): Ni(111) and Fe(lll). On Ni(111), we have studied the surface under a high coverage of NO. On both Ni(111) and Pt(111) NO molecules occupy the hollow sites and the N-0 bond distances are practically identical. The challenging sample preparation of an Fe(111) surface has been investigated and a successful procedure has been obtained. The small interlayer spacing found on Fe(111) required special treatment in the LEED calculations. A new ATLEED program has been developed to handle this surface.

  1. Evaluation of MuSyQ land surface albedo based on LAnd surface Parameters VAlidation System (LAPVAS)

    Science.gov (United States)

    Dou, B.; Wen, J.; Xinwen, L.; Zhiming, F.; Wu, S.; Zhang, Y.

    2016-12-01

    satellite derived Land surface albedo is an essential climate variable which controls the earth energy budget and it can be used in applications such as climate change, hydrology, and numerical weather prediction. However, the accuracy and uncertainty of surface albedo products should be evaluated with a reliable reference truth data prior to applications. A new comprehensive and systemic project of china, called the Remote Sensing Application Network (CRSAN), has been launched recent years. Two subjects of this project is developing a Multi-source data Synergized Quantitative Remote Sensin g Production System ( MuSyQ ) and a Web-based validation system named LAnd surface remote sensing Product VAlidation System (LAPVAS) , which aims to generate a quantitative remote sensing product for ecosystem and environmental monitoring and validate them with a reference validation data and a standard validation system, respectively. Land surface BRDF/albedo is one of product datasets of MuSyQ which has a pentad period with 1km spatial resolution and is derived by Multi-sensor Combined BRDF Inversion ( MCBI ) Model. In this MuSyQ albedo evaluation, a multi-validation strategy is implemented by LAPVAS, including directly and multi-scale validation with field measured albedo and cross validation with MODIS albedo product with different land cover. The results reveal that MuSyQ albedo data with a 5-day temporal resolution is in higher sensibility and accuracy during land cover change period, e.g. snowing. But results without regard to snow or changed land cover, MuSyQ albedo generally is in similar accuracy with MODIS albedo and meet the climate modeling requirement of an absolute accuracy of 0.05.

  2. Evaluation of the WAMME model surface fluxes using results from the AMMA land-surface model intercomparison project

    Energy Technology Data Exchange (ETDEWEB)

    Boone, Aaron Anthony [GAME-CNRM, Meteo-France, Toulouse (France); Poccard-Leclercq, Isabelle [Universite de Nantes, LETG-Geolittomer, Nantes (France); Xue, Yongkang; Feng, Jinming [University of California at Los Angeles, Los Angeles, CA (United States); Rosnay, Patricia de [European Centre for Medium Range Weather Forecasting, Reading (United Kingdom)

    2010-07-15

    The West African monsoon (WAM) circulation and intensity have been shown to be influenced by the land surface in numerous numerical studies using regional scale and global scale atmospheric climate models (RCMs and GCMs, respectively) over the last several decades. The atmosphere-land surface interactions are modulated by the magnitude of the north-south gradient of the low level moist static energy, which is highly correlated with the steep latitudinal gradients of the vegetation characteristics and coverage, land use, and soil properties over this zone. The African Multidisciplinary Monsoon Analysis (AMMA) has organised comprehensive activities in data collection and modelling to further investigate the significance land-atmosphere feedbacks. Surface energy fluxes simulated by an ensemble of land surface models from AMMA Land-surface Model Intercomparison Project (ALMIP) have been used as a proxy for the best estimate of the ''real world'' values in order to evaluate GCM and RCM simulations under the auspices of the West African Monsoon Modelling Experiment (WAMME) project, since such large-scale observations do not exist. The ALMIP models have been forced in off-line mode using forcing based on a mixture of satellite, observational, and numerical weather prediction data. The ALMIP models were found to agree well over the region where land-atmosphere coupling is deemed to be most important (notably the Sahel), with a high signal to noise ratio (generally from 0.7 to 0.9) in the ensemble and a inter-model coefficient of variation between 5 and 15%. Most of the WAMME models simulated spatially averaged net radiation values over West Africa which were consistent with the ALMIP estimates, however, the partitioning of this energy between sensible and latent heat fluxes was significantly different: WAMME models tended to simulate larger (by nearly a factor of two) monthly latent heat fluxes than ALMIP. This results due to a positive precipitation

  3. Economic effect of fusion in energy market. Various externalities of energy systems and the integrated evaluation

    International Nuclear Information System (INIS)

    Ito, Keishiro

    2002-01-01

    The primacy of a nuclear fusion reactor in a competitive energy market remarkably depends on to what extent the reactor contributes to reduce the externalities of energy. The reduction effects are classified into two effects, which have quite dissimilar characteristics. One is an effect of environmental dimensions. The other is related to energy security. In this study I took up the results of EC's ExternE project studies as a representative example of the former effect. Concerning the latter effect, I clarified the fundamental characteristics of externalities related to energy security and the conceptual framework for the purpose of evaluation. In the socio-economical evaluation of research into and development investments in nuclear fusions reactors, the public will require the development of integrated evaluation systems to support the cost-effect analysis of how well the reduction effects of externalities have been integrated with the effects of technological innovation, learning, spillover, etc. (author)

  4. REMOTE SENSING AND SURFACE ENERGY FLUX MODELS TO DERIVE EVAPOTRANSPIRATION AND CROP COEFFICIENT

    Directory of Open Access Journals (Sweden)

    Salvatore Barbagallo

    2008-06-01

    Full Text Available Remote sensing techniques using high resolution satellite images provide opportunities to evaluate daily crop water use and its spatial and temporal distribution on a field by field basis. Mapping this indicator with pixels of few meters of size on extend areas allows to characterize different processes and parameters. Satellite data on vegetation reflectance, integrated with in field measurements of canopy coverage features and the monitoring of energy fluxes through the soil-plant-atmosphere system, allow to estimate conventional irrigation components (ET, Kc thus improving irrigation strategies. In the study, satellite potential evapotranspiration (ETp and crop coefficient (Kc maps of orange orchards are derived using semi-empirical approaches between reflectance data from IKONOS imagery and ground measurements of vegetation features. The monitoring of energy fluxes through the orchard allows to estimate actual crop evapotranspiration (ETa using energy balance and the Surface Renewal theory. The approach indicates substantial promise as an efficient, accurate and relatively inexpensive procedure to predict actual ET fluxes and Kc from irrigated lands.

  5. Evaluation of Ocular Surface Disease in Patients with Glaucoma

    Science.gov (United States)

    Mathews, Priya M.; Ramulu, Pradeep Y.; Friedman, David S.; Utine, Canan A.; Akpek, Esen K.

    2013-01-01

    Purpose To evaluate the subjective and objective measures of ocular surface disease in patients with glaucoma. Design Cross-sectional study. Participants Sixty-four glaucoma subjects with bilateral visual field (VF) loss and 59 glaucoma suspects with normal VFs. Methods Consecutive patients were recruited prospectively from the Wilmer Eye Institute Glaucoma Clinic. Main Outcome Measures Tear film breakup time (TBUT), corneal staining score (0–15), and Schirmer’s test results were included as objective metrics, whereas the Ocular Surface Disease Index (OSDI) questionnaire was administered to assess symptoms. Total OSDI score, vision-related subscore (derived from questions about vision and task performance), and discomfort-related subscore (derived from questions about ocular surface discomfort) were calculated for each subject. Results Seventy-five percent (48/64) of glaucoma subjects and 41% (24/59) of glaucoma suspects were receiving topical medications. The corneal staining grade was greater in glaucoma subjects than in glaucoma suspects (6.4 vs. 4.1; P0.20 for both). Multivariate regression models showed that topical glaucoma therapy burden was associated with a significantly higher total corneal staining grade (β, +0.9 for each additional glaucoma drop; 95% confidence interval [CI], 0.5–1.3; P0.20 for both). Glaucoma subjects had significantly higher total OSDI scores than glaucoma suspects (16.7 vs. 7.9; Pglaucoma group (11.1 vs. 3.3; Pglaucoma therapy burden was not associated with higher total OSDI score or vision- or discomfort-related subscore (P>0.20 for all). Conclusions Glaucoma is associated with significant ocular surface disease, and topical glaucoma therapy burden seems predictive of corneal staining severity. However, OSDI is a poor metric for capturing ocular surface disease in glaucoma because symptoms seem to be related largely to VF loss. PMID:23714318

  6. Correlation of Effective Dispersive and Polar Surface Energies in Heterogeneous Self-Assembled Monolayer Coatings

    DEFF Research Database (Denmark)

    Zhuang, Yanxin; Hansen, Ole

    2009-01-01

    grown oil oxidized (100) silicon Surfaces in a vapor phase process using five different precursors. Experimentally, effective surface energy components of the fluorocarbon self-assembled monolayers were determined from measured contact angles using the Owens-Wendt-Rabel-Kaelble method. We show......We show, theoretically, that the measured effective dispersive and polar surface energies of a heterogeneous Surface are correlated; the correlation, however, differs whether a Cassic or an Israelachvili and Gee model is assumed. Fluorocarbon self-assembled monolayers with varying coverage were...

  7. Experimental evaluation of the primary damage process: neutron energy effects

    Energy Technology Data Exchange (ETDEWEB)

    Goland, A.N.

    1979-01-01

    Experimental evaluation of the neutron energy dependnece of the primary damage stage depends upon a number of theoretical concepts. This state can only be observed after low- or perhaps ambient-temperature, low-fluence irradiations. The primary recoil energy spectrum, which determines the character of the displacement cascades, can be calculated if dosimetry has provided an accurate neutron spectrum. A review of experimental results relating neutron-energy effects shows that damage energy or damage energy cross section has often been a reliable correlation parameter for primary damage state experiments. However, the forthcoming emphasis on higher irradiation temperatures, more complex alloys and microstructural evolution has fostered a search for additional meaningful correlation parameters.

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

    International Nuclear Information System (INIS)

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

    2014-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-10-28

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

  10. Environmental impacts evaluation associated to renewable sources of energy

    International Nuclear Information System (INIS)

    Ferreira, Vinicius Verna M.; Aronne, Ivan D.; Santos, Rosana A.M.

    2009-01-01

    As time goes by, the need for electricity increases and creates several problems to mankind. Health and environmental problems happens wherever a power plant arises. For many people the best option for these problems is to invest in energy alternative sources, such as solar and wind. But unfortunately this sources also generates some environmental and health damages. The objective of this work is to analyze the impacts of these energy sources, to review their utilization all over the world and to discuss its relevance in the global energy market. To make a comparative evaluation, the nuclear option will also be analyzed. (author)

  11. Noise robustness of interferometric surface topography evaluation methods. Correlogram correlation

    Science.gov (United States)

    Kiselev, Ilia; Kiselev, Egor I.; Drexel, Michael; Hauptmannl, Michael

    2017-12-01

    Different surface height estimation methods are differently affected by interferometric noise. From a theoretical analysis we obtain height variance estimators for the methods. The estimations allow us to rigorously compare the noise robustness of popular evaluation algorithms. The envelope methods have the highest variances and hence the lowest noise resistances. The noise robustness improves from the envelope to the phase methods, but a technique involving the correlation of correlograms is superior even to the latter. We dwell on some details of this correlogram correlation method and the range of its application.

  12. Surface energy balance measurements in the Mexico City: a review

    Energy Technology Data Exchange (ETDEWEB)

    Tejeda Martinez, A. [Universidad Veracruzana, Xalapa, Veracruz (Mexico); Jauregui Ostos, E. [Centro de Ciencias de la Atmosfera, Universidad Nacional Autonoma de Mexico, UNAM, Mexico, D.F. (Mexico)

    2005-01-01

    During the last decade of the 20th Century, diverse campaigns for measuring the atmospheric energy balance were performed in downtown Mexico City (School of Mines and Preparatory School No. 7), in the southern suburbs (University Reserve) and in the surrounding rural areas (Plan Texcoco), in addition to a campaign carried out in 1985 in the Tacubaya district, a suburban western peripheral site. The objective was to obtain data for a better understanding of the climatic alterations due to urbanization, particularly to describe the role that the modification of the natural ground cover has played as a result of paving and the construction of urban canyons. In this paper, a review of these campaigns is presented. Energy partitioning in some areas (Tacubaya and Preparatory School No.7) is similar to that observed in urban centers of middle latitudes, whereas the major contrast was observed between Texcoco, with maximum energy consumption through evaporation, and School of Mines, where the latent heat is as low as in a desert. From the values of the correlations among the different components of energy balance, it may be possible to attempt the modeling of the diverse components of energy balance by means of regression equations starting from the net radiation. Those same coefficients distinguish the type of environment: urban, suburban or rural. [Spanish] Las primeras mediciones de balance energetico en la Ciudad de Mexico se realizaron en 1985 en un suburbio al poniente de la ciudad (el observatorio de Tacubaya). Ya en la decada de los anos noventa del siglo XX, dichas observaciones se multiplicaron tanto en el centro historico (antigua Escuela de Minas y en el edificio de la Preparatoria No. 7), como en otros sitios al sur (en terrenos de Ciudad Universitaria) y en la periferia rural (Plan Texcoco). El proposito de estas mediciones ha sido tener un mejor entendimiento de las alteraciones climaticas debidas a la urbanizacion. En este trabajo se presenta una revision

  13. Relationships between surface energy analysis and functional characteristics of dairy powders.

    Science.gov (United States)

    Kondor, Anett; Hogan, Sean A

    2017-12-15

    Surface energetics of demineralised whey (DMW), skimmed milk (SMP), phosphocasein (PCN) and infant milk formula (IMF) powders were determined by inverse gas chromatography (IGC). All four milk powders were amphoteric in nature with the dispersive (apolar) component of surface energy dominating the specific (polar) contribution. PCN and IMF had the highest and lowest extent of surface heterogeneity, respectively. PCN also demonstrated the poorest functional properties of the powders examined. In contrast, IMF had excellent flow and rehydration properties. Thermodynamic work of cohesion was highest in PCN and may have contributed to inadequate rehydration behaviour. Glass transition temperature of IMF powder, determined by IGC, suggested a surface dominated by lactose. Surface heterogeneity provided a better indicator of functional behaviour than total surface energy. IGC is a useful complementary technique for chemical and structural analysis of milk powders and allows improved insight into the contribution of surface and bulk factors to functionality. Copyright © 2017 Elsevier Ltd. All rights reserved.

  14. Fine powder flow under humid environmental conditions from the perspective of surface energy.

    Science.gov (United States)

    Karde, Vikram; Ghoroi, Chinmay

    2015-05-15

    The influence of humidity on surface energetics and flow behavior of fine pharmaceutical powders was investigated. Amorphous and crystalline fine powders with hydrophilic (Corn starch and Avicel PH105) and hydrophobic (ibuprofen) nature were considered for this study. The surface energy was determined using surface energy analyzer and flow behavior was measured in terms of unconfined yield stress (UYS) using a shear tester. The study showed that unlike hydrophobic ibuprofen powder, surface energy and flow of hydrophilic excipient powders were affected by relative humidity (RH). The Lifshitz-van der Waals dispersive (γ(LW)) component of surface energy barely changed with varying RH for all pharmaceutical powders. For hydrophilic excipients, the specific component of surface energy (γ(SP)) was found to increase with increasing RH. Furthermore, for these excipients, flow deterioration at elevated RH was observed due to increased capillary bridge formation. Detailed analysis showed that γ(SP) component of surface energy can be an effective indicator for flow behavior of fine powders under varying humid conditions. The present study also brought out the existence of different regimes of probable interparticle forces which dictate the bulk flow behavior of fine hydrophilic powder under humid conditions. Copyright © 2015 Elsevier B.V. All rights reserved.

  15. Smith Newton Vehicle Performance Evaluation – Gen 2 – Cumulative; Energy Efficiency & Renewable Energy (EERE)

    Energy Technology Data Exchange (ETDEWEB)

    None

    2014-10-01

    The Fleet Test and Evaluation Team at the U.S. Department of Energy's National Renewable Energy Laboratory is evaluating and documenting the performance of electric and plug-in hybrid electric drive systems in medium-duty trucks across the nation. U.S. companies participating in this evaluation project received funding from the American Recovery and Reinvestment Act to cover part of the cost of purchasing these vehicles. Through this project, Smith Electric Vehicles is building and deploying 500 all-electric medium-duty trucks that will be deployed by a variety of companies in diverse climates across the country.

  16. Effect of mechanical denaturation on surface free energy of protein powders.

    Science.gov (United States)

    Mohammad, Mohammad Amin; Grimsey, Ian M; Forbes, Robert T; Blagbrough, Ian S; Conway, Barbara R

    2016-10-01

    Globular proteins are important both as therapeutic agents and excipients. However, their fragile native conformations can be denatured during pharmaceutical processing, which leads to modification of the surface energy of their powders and hence their performance. Lyophilized powders of hen egg-white lysozyme and β-galactosidase from Aspergillus oryzae were used as models to study the effects of mechanical denaturation on the surface energies of basic and acidic protein powders, respectively. Their mechanical denaturation upon milling was confirmed by the absence of their thermal unfolding transition phases and by the changes in their secondary and tertiary structures. Inverse gas chromatography detected differences between both unprocessed protein powders and the changes induced by their mechanical denaturation. The surfaces of the acidic and basic protein powders were relatively basic, however the surface acidity of β-galactosidase was higher than that of lysozyme. Also, the surface of β-galactosidase powder had a higher dispersive energy compared to lysozyme. The mechanical denaturation decreased the dispersive energy and the basicity of the surfaces of both protein powders. The amino acid composition and molecular conformation of the proteins explained the surface energy data measured by inverse gas chromatography. The biological activity of mechanically denatured protein powders can either be reversible (lysozyme) or irreversible (β-galactosidase) upon hydration. Our surface data can be exploited to understand and predict the performance of protein powders within pharmaceutical dosage forms. Copyright © 2016 Elsevier B.V. All rights reserved.

  17. Evaluation of surface renewal and flux-variance methods above agricultural and forest surfaces

    Science.gov (United States)

    Fischer, M.; Katul, G. G.; Noormets, A.; Poznikova, G.; Domec, J. C.; Trnka, M.; King, J. S.

    2016-12-01

    Measurements of turbulent surface energy fluxes are of high interest in agriculture and forest research. During last decades, eddy covariance (EC), has been adopted as the most commonly used micrometeorological method for measuring fluxes of greenhouse gases, energy and other scalars at the surface-atmosphere interface. Despite its robustness and accuracy, the costs of EC hinder its deployment at some research experiments and in practice like e.g. for irrigation scheduling. Therefore, testing and development of other cost-effective methods is of high interest. In our study, we tested performance of surface renewal (SR) and flux variance method (FV) for estimates of sensible heat flux density. Surface renewal method is based on the concept of non-random transport of scalars via so-called coherent structures which if accurately identified can be used for the computing of associated flux. Flux variance method predicts the flux from the scalar variance following the surface-layer similarity theory. We tested SR and FV against EC in three types of ecosystem with very distinct aerodynamic properties. First site was represented by agricultural wheat field in the Czech Republic. The second site was a 20-m tall mixed deciduous wetland forest on the coast of North Carolina, USA. The third site was represented by pine-switchgrass intercropping agro-forestry system located in coastal plain of North Carolina, USA. Apart from solving the coherent structures in a SR framework from the structure functions (representing the most common approach), we applied ramp wavelet detection scheme to test the hypothesis that the duration and amplitudes of the coherent structures are normally distributed within the particular 30-minutes time intervals and so just the estimates of their averages is sufficient for the accurate flux determination. Further, we tested whether the orthonormal wavelet thresholding can be used for isolating of the coherent structure scales which are associated with

  18. Constructing a multidimensional free energy surface like a spider weaving a web.

    Science.gov (United States)

    Chen, Changjun

    2017-10-15

    Complete free energy surface in the collective variable space provides important information of the reaction mechanisms of the molecules. But, sufficient sampling in the collective variable space is not easy. The space expands quickly with the number of the collective variables. To solve the problem, many methods utilize artificial biasing potentials to flatten out the original free energy surface of the molecule in the simulation. Their performances are sensitive to the definitions of the biasing potentials. Fast-growing biasing potential accelerates the sampling speed but decreases the accuracy of the free energy result. Slow-growing biasing potential gives an optimized result but needs more simulation time. In this article, we propose an alternative method. It adds the biasing potential to a representative point of the molecule in the collective variable space to improve the conformational sampling. And the free energy surface is calculated from the free energy gradient in the constrained simulation, not given by the negative of the biasing potential as previous methods. So the presented method does not require the biasing potential to remove all the barriers and basins on the free energy surface exactly. Practical applications show that the method in this work is able to produce the accurate free energy surfaces for different molecules in a short time period. The free energy errors are small in the cases of various biasing potentials. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  19. Evaluation of chemical surface treatment methods for mitigation of PWSCC

    International Nuclear Information System (INIS)

    Dame, C.; Marks, C.; Olender, A.; Farias, J.

    2015-01-01

    As part of its mission to propose innovative and safe technologies to mitigate Primary Water Stress Corrosion Cracking (PWSCC) in Pressurized Water Reactors (PWR), EPRI recently initiated a program to evaluate potential new chemical surface treatments that might delay the occurrence of PWSCC such that no failure of components would be observed during their lifetime. Among the initial screening of more than thirty technologies, seven were selected for a more detailed review. The selected technologies were: nickel and nickel alloy plating, organic inhibitors, chromium-based inhibitors, silicon carbide, titanium-based inhibitors, rare earth metal (REM)-based inhibitors and encapsulation. The conclusions of the review of these technologies were that two of them were worth pursuing, titanium-based and REM-based inhibitors, and that evaluating the radiological consequences of injecting these products in the primary system, as well as assessing their efficacy to mitigate PWSCC, should be prioritized as the next required steps in qualification for implementation. (authors)

  20. Responses of energy partitioning and surface resistance to drought in a poplar plantation in northern China

    Science.gov (United States)

    Kang, M.; Zhang, Z.; Noormets, A.; Fang, X.; Zha, T.; Zhou, J.; Sun, G.; McNulty, S.; Chen, J.

    2015-01-01

    Poplar (Populus sp.) plantations have been used broadly for combating desertification, urban greening, and paper and wood production in northern China. However, given the high water use by the species and the regional dry environment, the long-term sustainability of these plantations needs to be evaluated. Currently, the understanding of energy partitioning and canopy resistance to water vapor and CO2 in poplar plantations is limited, impeding an accurate assessment of their true ecosystem functions. This study examined the variability of canopy bulk resistance parameters and energy partitioning over a four-year period encompassing both dry and wet conditions in a poplar (Populus euramericana CV. "74 / 76") plantation ecosystem located in northern China. Available energy (Net radiation Rn minus Soil Heat Flux, G) partitioning to latent (LE) and sensible (H) heat was responsive to climatological drought, with LE/(Rn-G) ranging from 62% in wet years (e.g. 2007 and 2008) to 53% in dry years (e.g. 2006 and 2009), and H/(Rn-G) from 25 to 33% between wet and dry years. Correspondingly, the Bowen ratio (β=H/LE) were 0.83 and 1.57. Surface resistance (Rs) had the greatest response to drought (+43%), but the aerodynamic and climatological resistances did not change significantly (p > 0.05). Partial correlation analysis indicated that Rs was the dominant factor in controlling the Bowen ratio. Furthermore, Rs was the major factor controlling LE during the growing season, even in wet years, as indicated by the decoupling coefficient (Ω = 0.45 and 0.39 in wet and dry years, respectively), and the LE / LEeq ratio ranged from 0.81 and 0.68 in wet and dry years, respectively. In general, the dry surface conditions dominated in this poplar plantation ecosystem regardless of soil water availability suggesting that fast-growing and water use-intensive species like poplar plantations are poorly adapted for the water limited region.

  1. Evaluating the ability of current energy use assessment methods to study contrasting livestock production systems.

    Science.gov (United States)

    Vigne, Mathieu; Vayssières, Jonathan; Lecomte, Philippe; Peyraud, Jean-Louis

    2012-12-15

    Environmental impact assessment of agriculture has received increased attention over recent decades, leading to development of numerous methods. Among them, three deal with energy use: Energy Analysis (EA), Ecological Footprint (EF) and Emergy synthesis (Em). Based on a review of 197 references applying them to a variety of agricultural systems, this paper evaluates their ability to assess energy use. While EF assesses energy use as land use via a global accounting approach in which energy is only one component of the assessment, EA and Em are energy-focused and appear more appropriate to highlight ways to increase energy-use efficiency. EA presents a clear methodology via fossil energy use and its associated impacts but does not consider all energy sources. With inclusion of natural and renewable resources, Em focuses on other energy resources, such as solar radiation and energy from labour, but does not present impact indicators nor establish a clear link between activities and their environmental impacts. Improvements of the EA and Em methods could increase their ability to perform realistic and unbiased energy analysis or the diversity of livestock systems encountered in the world. First, to consider all energy sources, as Em does, EA could include solar radiation received by farm surfaces and energy expenditure by humans and animals to accomplish farm operations. Second, boundaries of the studied system in EA and Em must include draft animals, humans and communal grazing lands. Third, special attention should be given to update and locally adapt energy coefficients and transformities. Copyright © 2012 Elsevier Ltd. All rights reserved.

  2. Modelling surface energy fluxes over a Dehesa ecosystem using a two-source energy balance model.

    Science.gov (United States)

    Andreu, Ana; Kustas, William. P.; Anderson, Martha C.; Carrara, Arnaud; Patrocinio Gonzalez-Dugo, Maria

    2013-04-01

    The Dehesa is the most widespread agroforestry land-use system in Europe, covering more than 3 million hectares in the Iberian Peninsula and Greece (Grove and Rackham, 2001; Papanastasis, 2004). It is an agro-silvo-pastural ecosystem consisting of widely-spaced oak trees (mostly Quercus ilex L.), combined with crops, pasture and Mediterranean shrubs, and it is recognized as an example of sustainable land use and for his importance in the rural economy (Diaz et al., 1997; Plieninger and Wilbrand, 2001). The ecosystem is influenced by a Mediterranean climate, with recurrent and severe droughts. Over the last decades the Dehesa has faced multiple environmental threats, derived from intensive agricultural use and socio-economic changes, which have caused environmental degradation of the area, namely reduction in tree density and stocking rates, changes in soil properties and hydrological processes and an increase of soil erosion (Coelho et al. 2004; Schnabel and Ferreira, 2004; Montoya 1998; Pulido and Díaz, 2005). Understanding the hydrological, atmospheric and physiological processes that affect the functioning of the ecosystem will improve the management and conservation of the Dehesa. One of the key metrics in assessing ecosystem health, particularly in this water-limited environment, is the capability of monitoring evaporation (ET). To make large area assessments requires the use of remote sensing. Thermal-based energy balance techniques that distinguish soil/substrate and vegetation contributions to the radiative temperature and radiation/turbulent fluxes have proven to be reliable in such semi-arid sparse canopy-cover landscapes. In particular, the two-source energy balance (TSEB) model of Norman et al. (1995) and Kustas and Norman (1999) has shown to be robust for a wide range of partially-vegetated landscapes. The TSEB formulation is evaluated at a flux tower site located in center Spain (Majadas del Tietar, Caceres). Its application in this environment is

  3. Environmental evaluation and wind energy in France; Evaluation environnementale et energie eolienne en France

    Energy Technology Data Exchange (ETDEWEB)

    Degryse, M.C. [Gouvernement de France, Paris (France). Direction generale de l' energie et du Climat, Ministere de l' ecologie, de l' energie, du developpement durable et de l' amenagement du territoire

    2009-04-15

    The development of renewable energy, particularly wind energy, began in France nearly 30 years ago to conserve fossil fuels and reduce greenhouse gas emissions. The development of wind turbines was governed by administrative laws and environmental impact studies of ecosystems, fauna, flora and natural habitats, as well as physical layouts and human activities. The environmental impact studies involved site characterization as well as the direct and indirect impact on the environment in the short- and long-term. These procedures proved essential in the decision making process for environmental planning and for local development. The French Ministry of ecology, energy and sustainable development established guidelines in 2005 to ensure proper development. In November 2008, France established an environmental policy that stipulates that 23 per cent of the energy consumed in 2020 will be derived from renewable energy sources, and that the total onshore and offshore capacity will be 25,000 MW. At the end of 2008, France's installed wind power capacity was 3,095 MW. This plan of action focuses on environmental quality. Each development will have to consider the landscape, air quality, water quality and biodiversity. France's renewable energy plan stipulates the use of wind turbines to avoid over-development of the area, and to prevent damage to landscape and the quality of life for residents. The impact of offshore wind power development is currently being analyzed in an effort to promote the development of sustainable maritime activities for the environment. 4 refs., 1 tab., 3 figs.

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

    OpenAIRE

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

    2013-01-01

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

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

    Directory of Open Access Journals (Sweden)

    Prokhorenko Valentyn I.

    2013-03-01

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

  6. Near-surface circulation and kinetic energy in the tropical Indian Ocean derived from lagrangian drifters

    Digital Repository Service at National Institute of Oceanography (India)

    Shenoi, S.S.C.; Saji, P.K.; Almeida, A.M.

    Trajectories of 412 satellite-tracked drifting buoys deployed in the tropical Indian Ocean have been analyzed to document the surface circulation and kinetic energy field. Only drifters drogued at 15 m depth and having drag area ratio greater than...

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

    Science.gov (United States)

    Sibaev, Marat; Crittenden, Deborah L

    2015-11-05

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

  8. 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)

  9. Relation between bulk compressibility and surface energy of electron-hole liquids

    International Nuclear Information System (INIS)

    Singwi, K.S.; Tosi, M.P.

    1979-08-01

    Attention is drawn to the existence of an empirical relation chiσ/asup(*)sub(B) approximately 1 between the compressibility, the surface energy and the excitonic radius in electron-hole liquids. (author)

  10. Evaluation of NEB energy markets and supply monitoring function

    International Nuclear Information System (INIS)

    2003-09-01

    Canada's National Energy Board regulates the exports of oil, natural gas, natural gas liquids and electricity. It also regulates the construction, operation and tolls of international and interprovincial pipelines and power lines. It also monitors energy supply and market developments in Canada. The Board commissioned an evaluation of the monitoring function to ensure the effectiveness and efficiency of the monitoring activities, to identify gaps in these activities and to propose recommendations. The objectives of the monitoring mandate are to provide Canadians with information regarding Canadian energy markets, energy supply and demand, and to ensure that exports of natural gas, oil, natural gas liquids and electricity do not occur at the detriment of Canadian energy users. The Board ensures that Canadians have access to domestically produced energy on terms that are as favourable as those available to export buyers. The following recommendations were proposed to improve the monitoring of energy markets and supply: (1) increase focus and analysis on the functioning of gas (first priority) and other commodity markets, (2) increase emphasis on forward-looking market analysis and issue identification, (3) demonstrate continued leadership by encouraging public dialogue on a wide range of energy market issues, (4) improve communication and increase visibility of the NEB within the stakeholder community, (5) build on knowledge management and organizational learning capabilities, (6) improve communication and sharing of information between the Applications and Commodities Business Units, and (7) enhance organizational effectiveness of the Commodities Business Unit. figs

  11. Low energy ionization effect of He atoms at surfaces

    Science.gov (United States)

    Muda, Y.; Newns, D. M.

    1988-06-01

    The low energy ionization effect, which seems so surprising on the basis of the Massey criterion, has been explained by a dynamical calculation working with a diabatic 1s level of He whose behaviour is determined from the projectile-target correlation diagram. Quasi-realistic hopping matrix elements and the He trajectory based on a Molière potential are employed. Using a spinless time dependent Newns-Anderson Hamiltonian, the ionization probability Pion has been calculated exactly within the present model by the method of Muda and Hanawa. It is found that Pion amounts to a significant value even at low incident energies ( E0) below 1 keV in He → Si collision, where the Si substrate is represented by a linear chain (LC) of 30 Si 3s orbitals. In He → Cu collision, where the Cu substrate is approximated by a LC of 30 Cu 4s orbitals, Pion is very small for E0 below 1 keV, but it is appreciable above 1 keV. The ratio of Pion( Cu)/ Pion(Si) in the region 1 ≦ E0 ≦ 2 keV is in good agreement with that derived from a recent experiment.

  12. Protein-Nanoparticle Interactions: Improving Immobilized Lytic Enzyme Activity and Surface Energy Effects

    Science.gov (United States)

    Downs, Emily Elizabeth

    Protein-nanostructure conjugates, particularly particles, are a subject of significant interest due to changes in their fundamental behavior compared to bulk surfaces. As the size scale of nano-structured materials and proteins are on the same order of magnitude, nanomaterial properties can heavily influence how proteins adsorb and conform to the surface. Previous work has demonstrated the ability of nanoscale surfaces to modulate protein activity, conformation, and retention by modifying the particle surface curvature, morphology, and surface charge. This work has improved our understanding of the protein material interactions, but a complete understanding is still lacking. The goal of this thesis is to investigate two missing areas of understanding using two distinct systems. The first system utilizes a particle with controlled surface energy to observe the impact of surface energy on protein-particle interactions, while the second system uses a modified Listeria-specific protein to determine how protein structure and flexibility affects protein adsorption and activity on particles. Spherical, amorphous, and uniformly doped Zn-silica particles with tailored surface energies were synthesized to understand the impact of surface energy on protein adsorption behavior. Particle surface energy increased with a decrease in particle size and greater dopant concentrations. Protein adsorption and structural loss increased with both particle size and particle surface energy. Higher surface energies promoted protein-particle association and increased protein unfolding. Particle curvature and protein steric hindrance effects limited adsorption and structural loss on smaller particles. Protein surface charge heterogeneity was also found to be linked to both protein adsorption and unfolding behavior on larger particles. Greater surface charge heterogeneity led to higher adsorption concentrations and multilayer formation. These multilayers transitioned from protein

  13. Evaluation of Cellulosic Fabrics Surface Characteristics after Different Treatments

    Directory of Open Access Journals (Sweden)

    Vitalija MASTEIKAITĖ

    2014-09-01

    Full Text Available Various clothes treatments during their manufacture and wear change the fabrics physical and surface characteristics. The different testing methods for fabrics quality evaluation are used in this research. The aim of this work is to examine the effect of enzyme treatment, laundering and abrasion on the appearance of different cellulosic fabrics. Six cotton and cotton blend woven fabrics used for faded garments production were chosen for this examination. Treatments such, as enzyme wash, domestic laundering, abrasion using IT-2 and Martindale (Mesdan instruments and rubbing were applied in order to evaluate the worn look of the different fabrics. The degree of fabrics distortion was determined by using abrasion resistance and weight change characteristics. Also, the colour fastness and staining after different dry and wet treatments were analysed. The results of this research show that the surface characteristics of cellulosic fabrics depend on the properties of the fabrics and the type of treatment. Most of the tested cellulosic fabrics have changed their difference in colour not only after the enzyme wash but also after successive abrading and cyclical domestic launderings. Both colour fading of the fabrics and staining of cotton white fabric may appear after rubbing in dry and especially in wet conditions. The received results show that during tested fabrics laundering, the cotton and nylon parts of multifibre fabric were stained more heavily. DOI: http://dx.doi.org/10.5755/j01.ms.20.3.4331

  14. Evaluating rainfall kinetic energy - intensity relationships with observed disdrometric data

    Science.gov (United States)

    Angulo-Martinez, Marta; Begueria, Santiago; Latorre, Borja

    2016-04-01

    Rainfall kinetic energy is required for determining erosivity, the ability of rainfall to detach soil particles and initiate erosion. Its determination relay on the use of disdrometers, i.e. devices capable of measuring the drop size distribution and velocity of falling raindrops. In the absence of such devices, rainfall kinetic energy is usually estimated with empirical expressions relating rainfall energy and intensity. We evaluated the performance of 14 rainfall energy equations in estimating one-minute rainfall energy and event total energy, in comparison with observed data from 821 rainfall episodes (more than 100 thousand one-minute observations) by means of an optical disdrometer. In addition, two sources of bias when using such relationships were evaluated: i) the influence of using theoretical terminal raindrop fall velocities instead of measured values; and ii) the influence of time aggregation (rainfall intensity data every 5-, 10-, 15-, 30-, and 60-minutes). Empirical relationships did a relatively good job when complete events were considered (R2 > 0.82), but offered poorer results for within-event (one-minute resolution) variation. Also, systematic biases where large for many equations. When raindrop size distribution was known, estimating the terminal fall velocities by empirical laws produced good results even at fine time resolution. The influence of time aggregation was very high in the estimated kinetic energy, although linear scaling may allow empirical correction. This results stress the importance of considering all these effects when rainfall energy needs to be estimated from more standard precipitation records. , and recommends the use of disdrometer data to locally determine rainfall kinetic energy.

  15. Surface dispersive energy determined with IGC-ID in anti-graffiti-coated building materials

    OpenAIRE

    Carmona-Quiroga, Paula María; Rubio, J.; Sánchez, M. Jesús; Martínez-Ramírez, S.; Blanco-Varela, María Teresa

    2011-01-01

    Coating building materials with anti-graffiti treatments hinders or prevents spray paint adherence by generating low energy surfaces. This paper describes the effect of coating cement paste, lime mortar, granite, limestone and brick with two anti-graffiti agents (a water-base fluoroalkylsiloxane, “Protectosil Antigraffiti®”, and a Zr ormosil) on the dispersive component of the surface energy of these five construction materials. The agents were rediluted in their respective solvents at concen...

  16. Advancements in Modelling of Land Surface Energy Fluxes with Remote Sensing at Different Spatial Scales

    DEFF Research Database (Denmark)

    Guzinski, Radoslaw

    Evaporation of water from soil and its transpiration by vegetation together form a ux between the land and the atmosphere called evapotranspiration (ET). ET is a key factor in many natural and anthropogenic processes. It forms the basis of the hydrological cycle and has a strong inuence on local...... climate, weather and numerous biophysical processes, such as plant productivity. As energy is required for ET to occur, it also forms a link between the land-surface energy uxes and water uxes. Therefore, to be able to obtain reliable estimates of ET, reliable estimates of the other land-surface energy...... of this study was to look at, and improve, various approaches for modelling the land-surface energy uxes at different spatial scales. The work was done using physically-based Two-Source Energy Balance (TSEB) approach as well as semi-empirical \\Triangle" approach. The TSEB-based approach was the main focus...

  17. Changes in surface energy partitioning in China over the past three decades

    Science.gov (United States)

    Qian, Yitian; Hsu, Pang-Chi; Cheng, Chi-Han

    2017-05-01

    Surface energy balance and the partitioning of sensible heat flux (SHF) and latent heat flux (LHF) play key roles in land-atmosphere feedback. However, the lack of long-term observations of surface energy fluxes, not to mention spatially extensive ones, limits our understanding of how the surface energy distribution has responded to a warming climate over recent decades (1979-2009) at the national scale in China. Using four state-of-the-art reanalysis products with long-term surface energy outputs, we identified robust changes in surface energy partitioning, defined by the Bowen ratio (BR = SHF/LHF), over different climate regimes in China. Over the past three decades, the net radiation showed an increasing trend over almost the whole of China. The increase in available radiative energy flux, however, was balanced by differential partitioning of surface turbulent fluxes, determined by local hydrological conditions. In semi-arid areas, such as Northeast China, the radiative energy was transferred largely into SHF. A severe deficiency in near-surface and soil moistures led to a significant decreasing trend in LHF. The combined effect of increased SHF and decreased LHF resulted in significant upward trends in the BR and surface warming over Northeast China. In contrast, in the wet monsoon regions, such as southern China, increased downward net radiation favored a rise in LHF rather than in SHF, leading to a significant decreasing trend in the BR. Meanwhile, the increased LHF partly cancelled out the surface warming. The warming trend in southern China was smaller than that in Northeast China. In addition to impacts on heat-related events, the changes in the BR also reflected recent cases of extreme drought in China. Our results indicate that information regarding the BR may be valuable for drought monitoring, especially in regions prone to such conditions.

  18. Urban surface energy fluxes based on remotely-sensed data and micrometeorological measurements over the Kansai area, Japan

    Science.gov (United States)

    Sukeyasu, T.; Ueyama, M.; Ando, T.; Kosugi, Y.; Kominami, Y.

    2017-12-01

    The urban heat island is associated with land cover changes and increases in anthropogenic heat fluxes. Clear understanding of the surface energy budget at urban area is the most important for evaluating the urban heat island. In this study, we develop a model based on remotely-sensed data for the Kansai area in Japan and clarify temporal transitions and spatial distributions of the surface energy flux from 2000 to 2016. The model calculated the surface energy fluxes based on various satellite and GIS products. The model used land surface temperature, surface emissivity, air temperature, albedo, downward shortwave radiation and land cover/use type from the moderate resolution imaging spectroradiometer (MODIS) under cloud free skies from 2000 to 2016 over the Kansai area in Japan (34 to 35 ° N, 135 to 136 ° E). Net radiation was estimated by a radiation budget of upward/downward shortwave and longwave radiation. Sensible heat flux was estimated by a bulk aerodynamic method. Anthropogenic heat flux was estimated by the inventory data. Latent heat flux was examined with residues of the energy budget and parameterization of bulk transfer coefficients. We validated the model using observed fluxes from five eddy-covariance measurement sites: three urban sites and two forested sites. The estimated net radiation roughly agreed with the observations, but the sensible heat flux were underestimated. Based on the modeled spatial distributions of the fluxes, the daytime net radiation in the forested area was larger than those in the urban area, owing to higher albedo and land surface temperatures in the urban area than the forested area. The estimated anthropogenic heat flux was high in the summer and winter periods due to increases in energy-requirements.

  19. Surface Energy Determined by Inverse Gas Chromatography as a Tool to Investigate Particulate Interactions in Dry Powder Inhalers.

    Science.gov (United States)

    Das, Shyamal C; Tucker, Ian G; Stewart, Peter J

    2015-01-01

    Dry powder inhalers (DPIs) usually contain drug particles powder particles used in DPI to characterize materials and to understand aerosolization behaviour. Early studies used an infinite dilution technique to determine nonpolar surface energy and free energy of adsorption for polar interactions separately. Although some correlations were observed with the change in nonpolar surface energy before and after micronization, milling and storage, a lack of consistency in the change of free energy of adsorption was common. Moreover, a consistent relationship between complex de-agglomeration behaviour and surface energy has not been established and there are even some examples of negative correlation. In fact, nonpolar surface energy at infinite dilution is an incomplete representation of powder surface characteristics. The techniques for measuring polar surface energy, total surface energy and surface energy distribution have provided more revealing information about surface energetics of powders. Surface energy distributions determined by IGC or surface energy analyser have been successfully used to understand energetic heterogeneity of surfaces, characterize different polymorphs and understand changes due to micronization, structural relaxation, dry coating and storage. Efforts have been made to utilize surface energy distribution data to calculate powder strength distribution and to explain complex de-agglomeration behaviour of DPI formulations.

  20. Ex-post evaluation of European energy models

    International Nuclear Information System (INIS)

    Pilavachi, P.A.; Dalamaga, Th.; Rossetti di Valdalbero, D.; Guilmot, J.-F.

    2008-01-01

    Various energy-modelling activities are pursued by public authorities, private companies and research institutes with the aim to provide energy forecasts and to assess the impact of energy and environmental policies. Nevertheless, no ex-post evaluations of the results of these modelling activities have been carried out at the European Community level. This paper investigates and compares the assumptions and the results from a European study carried out in the middle of the eighties with the combination of the so-called Modele de prospective de la demande energetique a long terme (MEDEE) and Energy flow optimization (EFOM) models with the targeted year of 2000 as presented in the ''ENERGY 2000'' study. Concretely, assumptions and forecasts are compared with real statistical data. In this way, an evaluation of quantitative tools and model results can be established. The aim of this paper is not to evaluate the quantitative tools themselves but their results and their policy relevance within a frame of 15 years. (author)

  1. A DFT based method for calculating the surface energies of asymmetric MoP facets

    Science.gov (United States)

    Tian, Xinxin; Wang, Tao; Fan, Lifang; Wang, Yuekui; Lu, Haigang; Mu, Yuewen

    2018-01-01

    MoP is a promising catalyst in heterogeneous catalysis. Understanding its surface stability and morphology is the first and essential step in exploring its catalytic properties. However, traditional surface energy calculation method does not work for the asymmetric termination of MoP. In this work, we reported a useful DFT based method to get the surface energies of asymmetric MoP facets. Under ideal condition, the (101) surface with mixed Mo/P termination is most stable, followed by the (100) surface, while the (001) surface is least stable. Wulff construction reveals the exposure of six surfaces on the MoP nanoparticle, where the (101) has the largest contribution. Atomistic thermodynamics results reveal the changes in surface stability orders with experimental conditions, and the (001)-P termination becomes more and more stable with increasing P chemical potential, which indicates its exposure is possible at defined conditions. Our results agree well with the previous experimental XRD and TEM data. We believe the reported method for surface energy calculation could be extended to other similar systems with asymmetric surface terminations.

  2. Energy Evaluation of a New Construction Pilot Community: Fresno, California

    Energy Technology Data Exchange (ETDEWEB)

    Burdick, A.; Poerschke, A.; Rapport, A.; Wayne, M.

    2014-06-01

    A new construction pilot community was constructed by builder-partner Wathen-Castanos Hybrid Homes (WCHH) based on a single occupied test house that was designed to achieve greater than 30% energy savings with respect to the House Simulation Protocols (Hendron, Robert; Engebrecht, Cheryn (2010). Building America House Simulation Protocols. Golden, CO: National Renewable Energy Laboratory). Builders face several key problems when implementing a whole-house systems integrated measures package (SIMP) from a single test house into multiple houses. Although a technical solution already may have been evaluated and validated in an individual test house, the potential exists for constructability failures at the community scale. This report addresses factors of implementation and scalability at the community scale and proposes methodologies by which community-scale energy evaluations can be performed based on results at the occupied test house level. Research focused on the builder and trade implementation of a SIMP and the actual utility usage in the houses at the community scale of production. Five occupants participated in this community-scale research by providing utility bills and information on occupancy and miscellaneous gas and electric appliance use for their houses. IBACOS used these utility data and background information to analyze the actual energy performance of the houses. Verification with measured data is an important component in predictive energy modeling. The actual utility bill readings were compared to projected energy consumption using BEopt with actual weather and thermostat set points for normalization.

  3. Evaluating Dihydroazulene/Vinylheptafulvene Photoswitches for Solar Energy Storage Applications.

    Science.gov (United States)

    Wang, Zhihang; Udmark, Jonas; Börjesson, Karl; Rodrigues, Rita; Roffey, Anna; Abrahamsson, Maria; Nielsen, Mogens Brøndsted; Moth-Poulsen, Kasper

    2017-08-10

    Efficient solar energy storage is a key challenge in striving toward a sustainable future. For this reason, molecules capable of solar energy storage and release through valence isomerization, for so-called molecular solar thermal energy storage (MOST), have been investigated. Energy storage by photoconversion of the dihydroazulene/vinylheptafulvene (DHA/VHF) photothermal couple has been evaluated. The robust nature of this system is determined through multiple energy storage and release cycles at elevated temperatures in three different solvents. In a nonpolar solvent such as toluene, the DHA/VHF system can be cycled more than 70 times with less than 0.01 % degradation per cycle. Moreover, the [Cu(CH 3 CN) 4 ]PF 6 -catalyzed conversion of VHF into DHA was demonstrated in a flow reactor. The performance of the DHA/VHF couple was also evaluated in prototype photoconversion devices, both in the laboratory by using a flow chip under simulated sunlight and under outdoor conditions by using a parabolic mirror. Device experiments demonstrated a solar energy storage efficiency of up to 0.13 % in the chip device and up to 0.02 % in the parabolic collector. Avenues for future improvements and optimization of the system are also discussed. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

    Science.gov (United States)

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

    2016-01-29

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

  5. Effect of energy drinks on the surface texture of nanoflled composite resin.

    Science.gov (United States)

    Al-Samadani, Khalid H

    2013-09-01

    To study the effect of three energy drinks on the surface roughness of nanoflled composite resins after different periods of aging time. Composite resin disks, 6 mm diameter, 3 mm thickness were prepared from Filtec Z350 XT, Tetric EvoCeram and Filtec Z250 XT. Specimens fr/8om each material were tested after aging with Red Bull, Bison and Power Horse energy drinks and distilled water as a control. Specimens were stored at 37°C in dark containers for 1, 3 and 6 months. Surface roughness Ra was assessed using a surface scanning interferometry before and after each storage period. Surface roughness differences ΔRa and Ra among specimens were measured. Mean values were statistically analyzed using multiple repeated measured (ANOVA), variance and multiple comparisons of the mean values were done with Bonferroni test, with p energy drinks was signifcantly different for all tested materials at all three times p Energy drinks used in this study had surface degradation effect on the tested composite resin materials. The surface roughness increased with aging time however, it was clinically acceptable in all test groups after 6 months. The effect of energy drinks solutions on the surface roughness parameter of resin composites depends on type of solution and its acidity contents.

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

    Science.gov (United States)

    Zheng, Jingjing; Frisch, Michael J

    2017-12-12

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

  7. Opinions on nuclear energy: Evaluations, beliefs, and attitudes.

    NARCIS (Netherlands)

    Meertens, R.W.; Stallen, P.J.

    1981-01-01

    Used the expectancy-value model of attitudes (M. Fishbein and I. Ajzen, 1975) to investigate the attitudes, evaluations, and beliefs concerning the peaceful use of nuclear energy in 252 Dutch social and natural scientists. The model received empirical support. A factor analysis revealed 2

  8. Wind energy evaluation and solution for home applications

    Science.gov (United States)

    Ceuca, E.; Tulbure, A.; Ileana, I.; Brezeanu, Gh.; Covaciu, C.

    2010-11-01

    The objectives of this study are to survey the literature regarding energy evaluation and find optimal solution based on models and experimental set-up's for small and medium home in Alba area. Wind resource evaluation is a critical element in projecting turbine performance at a given site. The energy available in a wind stream is proportional to the cube of its speed, which means that doubling the wind speed increases the available energy by a factor of eight. Furthermore, the wind resource itself is seldom a steady, consistent flow. It varies with the time of day, season, height above ground, and type of terrain. Proper siting in windy locations, away from large obstructions, enhances a wind turbine's performance. We used our measured data in 2 locations around our town and with this data inserted in some Matlab models we intend to build optimal experimental solution for produced home's generator's, around Alba town, up to 5 kW.

  9. 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.

  10. Effects of polymer surface energy on morphology and properties of silver nanowire fabricated via nanoimprint and E-beam evaporation

    Science.gov (United States)

    Zhao, Zhi-Jun; Hwang, Soon Hyoung; Jeon, Sohee; Jung, Joo-Yun; Lee, Jihye; Choi, Dae-Geun; Choi, Jun-Hyuk; Park, Sang-Hu; Jeong, Jun-Ho

    2017-10-01

    In this paper, we demonstrate that use of different nanoimprint resins as a polymer pattern has a significant effect on the morphology of silver (Ag) nanowires deposited via an E-beam evaporator. RM-311 and Ormo-stamp resins are chosen as a polymer pattern to form a line with dimensions of width (100 nm) × space (100 nm) × height (120 nm) by using nanoimprint lithography (NIL). Their contact angles are then measured to evaluate their surface energies. In order to compare the properties of the Ag nanowires deposited on the various polymer patterns with different surface energies, hydrophobic surface treatment of the polymer pattern surface is implemented using self-assembled monolayers. In addition, gold and aluminum nanowires are fabricated for comparison with the Ag nanowires, with the differences in the nanowire morphologies being determined by the different atomic properties. The monocrystalline and polycrystalline structures of the various Ag nanowire formations are observed using transmission electron microscopy. In addition, the melting temperatures and optical properties of four kinds of Ag nanowire morphologies deposited on various polymer patterns are evaluated using a hot plate and an ultraviolet-visible (UV-vis) spectrometer, respectively. The results indicate that the morphology of the Ag nanowire determines the melting temperature and the transmission. We believe that these findings will greatly aid the development of NIL, along with physical evaporation and chemical deposition techniques, and will be widely employed in optics, biology, and surface wettability applications.

  11. The impact of the competitive adsorption of ions at surface sites on surface free energies and surface forces

    Science.gov (United States)

    Parsons, Drew F.; Salis, Andrea

    2015-04-01

    The relationship between surface charge and surface potential at the solid-liquid interface is often determined by a charge regulation process, the chemisorption of a potential determining ion such as H+. A subtle ion-specific effect can be observed when other ions compete with the primary potential determining ion to bind to a surface site. Site competition may involve alternative ions competing for a first binding site, e.g., metals ions competing with H+ to bind to a negatively charged oxide or carboxyl site. Second-binding sites with site competition may also be found, including amphoteric OH2+ sites, or anion binding to amine groups. In this work, a general theoretical model is developed to describe the competitive adsorption of ions at surface sites. Applied to the calculation of forces, the theory predicts a 20% increase in repulsion between titania surfaces in 1 mM NaCl, and a 25% reduction in repulsion between silica surfaces in 0.1M NaCl compared to calculations neglecting ion site competition.

  12. Solar energy system economic evaluation for Solaron Akron, Akron, Ohio

    Science.gov (United States)

    1980-01-01

    The economic analysis of the solar energy system that was installed at Akron, Ohio is developed for this and four other sites typical of a wide range of environmental and economic conditions. The analysis is accomplished based on the technical and economic models in the f chart design procedure with inputs based on the characteristics of the installed parameters of present worth of system cost over a projected twenty year life: life cycle savings, year of positive savings and year of payback for the optimized solar energy system at each of the analysis sites. The sensitivity of the economic evaluation to uncertainties in constituent system and economic variables is also investigated. Results show that only in Albuquerque, New Mexico, where insolation is 1828 Btu/sq ft/day and the conventional energy cost is high, is this solar energy system marginally profitable.

  13. Benchmark Database of Transition Metal Surface and Adsorption Energies from Many-Body Perturbation Theory

    DEFF Research Database (Denmark)

    Schmidt, Per Simmendefeldt; Thygesen, Kristian Sommer

    2018-01-01

    We present an extensive set of surface and chemisorption energies calculated using state of the art many body perturbation theory. In the first part of the paper we consider 10 surface reactions in the low coverage regime where experimental data is available. Here the random phase approximation...

  14. Ab initio and work function and surface energy anisotropy of LaB6

    NARCIS (Netherlands)

    Uijttewaal, M. A.; de Wijs, G. A.; de Groot, R. A.

    2006-01-01

    Lanthanum hexaboride is one of the cathode materials most used in high-power electronics technology, but the many experimental results do not provide a consistent picture of the surface properties. Therefore, we report the first ab initio calculations of the work functions and surface energies of

  15. Guide on the use of low energy electron beams for microbiological decontamination of surfaces

    DEFF Research Database (Denmark)

    Miller, Arne; Helt-Hansen, Jakob; Gondim, Ondina

    This Guide describes the validation and routine monitoring of microbiological decontamination of surfaces by low energy electron beams (100-200 keV). The Guide is mainly based on experience gained in connection with installation of electron beam systems for surface decontamination of pre-steriliz...

  16. Scattering of low energy noble gas ions from a metal surface

    International Nuclear Information System (INIS)

    Luitjens, S.B.

    1980-01-01

    Reflection of low energy (0.1-10 keV) noble gas ions can be used to analyse a solid surface. To study charge exchange processes, the ion fractions of neon and of argon, scattered from a Cu(100) surface, have been determined. (Auth.)

  17. On the measurement of the surface energy budget over a land ...

    Indian Academy of Sciences (India)

    e-mail: bhat@caos.iisc.ernet.in. The measurement of surface energy balance over a land surface in an open area in Bangalore is .... Sensors used in the present experimental setup and their specifications. These instruments were procured .... the value of the scalar at the roughness height zos. ψm and ψs are the M–O ...

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

    DEFF Research Database (Denmark)

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

    2016-01-01

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

  19. The need for surface-parallel sensor orientation to address energy balance closure on mountain slopes

    Science.gov (United States)

    Serrano-Ortiz, Penelope; Sánchez-Cañete, Enrique P.; Pérez-Priego, Óscar; Carrara, Arnaud; Metzger, Stefan; Kowalski, Andrew S.

    2014-05-01

    Measurements of turbulent fluxes in varying environments are one of the tools scientists and decision makers rely on for assessing and forecasting global warming. Thus, in the last two decades eddy-covariance (EC) towers have proliferated around the globe. Yet, ideal sites are rarely found, and there is a great need to extend the EC method and its theoretical underpinning to more complex terrain. In particular, several principal challenges are aggravated by sloping terrain. Nevertheless, various studies have concluded that the EC method is a useful tool to determine ecosystem energy and CO2/H2O fluxes on mountain slopes. Following the first law of thermodynamics, the validity of EC measurements is often evaluated in terms of their ability to close the balance of energy entering [net radiation minus the soil heat flux] and leaving [sum of the latent and sensible heat, measured by EC] an ecosystem. In sloping terrain, this criterion is applied with results comparable to sites located in more ideal terrain. Arguably, fluxes perpendicular to the surface are needed to assess the energy budget. However, even in sloping terrain instrument installations are frequently referenced perpendicular to the geo-potential (e.g. using a bubble level). Here, we demonstrate several advantages of installing the net radiometer and soil heat flux instruments parallel to a 16% slope with a southwest orientation. Our results reveal a diurnal hysteresis in the energy balance closure as large as 30% when net radiometer and soil heat flux instruments are installed perpendicular to the geo-potential. Installing the net radiometer and soil heat flux instruments slope-parallel mitigates this discrepancy.

  20. The development of empirical models to evaluate energy use and energy cost in wastewater collection

    Science.gov (United States)

    Young, David Morgan

    This research introduces a unique data analysis method and develops empirical models to evaluate energy use and energy cost in wastewater collection systems using operational variables. From these models, several Best Management Processes (BMPs) are identified that should benefit utilities and positively impact the operation of existing infrastructure as well as the design of new infrastructure. Further, the conclusions generated herein display high transferability to certain manufacturing processes. Therefore, it is anticipated that these findings will also benefit pumping applications outside of the water sector. Wastewater treatment is often the single largest expense at the local government level. Not surprisingly, significant research effort has been expended on examining the energy used in wastewater treatment. However, the energy used in wastewater collection systems remains underexplored despite significant potential for energy savings. Estimates place potential energy savings as high as 60% within wastewater collection; which, if applied across the United States equates to the energy used by nearly 125,000 American homes. Employing three years of data from Renewable Water Resources (ReWa), the largest wastewater utility in the Upstate of South Carolina, this study aims to develop useful empirical equations that will allow utilities to efficiently evaluate the energy use and energy cost of its wastewater collection system. ReWa's participation was motivated, in part, by their recent adoption of the United States Environmental Protection Agency "Effective Utility Strategies" within which exists a focus on energy management. The study presented herein identifies two primary variables related to the energy use and cost associated with wastewater collection: Specific Energy (Es) and Specific Cost (Cs). These two variables were found to rely primarily on the volume pumped by the individual pump stations and exhibited similar power functions for the three year

  1. Energy Consumption Analysis of Particle Crushing on Structural Contact Surface under High Pressure Shear

    Science.gov (United States)

    Tan, Junkun; Guo, Jiaqi

    2017-12-01

    The experimental study on the energy relationship between the coarse sand with different water content and the concrete interface with different hardness and roughness is carried out, through the high stress direct shear apparatus. Experimental results show that the growth rate of shear energy dissipation of sand - structure contact surface is slowing down with the increase of roughness, even negative; The shear energy dissipation of concrete with different hardness decreases first and then increases with the increase of water content, The crushing energy consumption is the lowest when water content is 16%; The shear energy dissipation at different moisture content increases with the increase of the contact strength of concrete structure.

  2. An experimental approach for measuring surface potential and second crossover energy in insulators

    International Nuclear Information System (INIS)

    Fakhfakh, S; Jbara, O; Rondot, S; Rau, E I; Fakhfakh, Z

    2008-01-01

    The goal of this work is to first measure the second crossover energy E 2S under stationary electron irradiation (charging conditions) and then to show that the charge balance occurs at this beam energy and not at E 2C , the energy deduced from non-charging conditions (short pulse irradiation) as commonly assumed. The experimental procedure is based on simultaneous time dependent measurements of surface potential, leakage and displacement currents. The study is illustrated by the estimate of the real landing energy of primary electrons E L and the second crossover energy E 2S for soda-lime glass

  3. An experimental approach for measuring surface potential and second crossover energy in insulators

    Energy Technology Data Exchange (ETDEWEB)

    Fakhfakh, S; Jbara, O; Rondot, S [UTAP/LASSI, EA 3802 Faculte des Sciences, BP 1039, 51687 Reims Cedex 2 (France); Rau, E I [Institute of Microelectronics Technology of Russian Academy of Science, 142432, Chernogolovka, Moscow District (Russian Federation); Fakhfakh, Z [LaMaCop, Faculte des Sciences, Route Soukra Km 3, BP 802, CP 3018 Sfax (Tunisia)], E-mail: slimfakhfakh@yahoo.fr

    2008-05-21

    The goal of this work is to first measure the second crossover energy E{sub 2S} under stationary electron irradiation (charging conditions) and then to show that the charge balance occurs at this beam energy and not at E{sub 2C}, the energy deduced from non-charging conditions (short pulse irradiation) as commonly assumed. The experimental procedure is based on simultaneous time dependent measurements of surface potential, leakage and displacement currents. The study is illustrated by the estimate of the real landing energy of primary electrons E{sub L} and the second crossover energy E{sub 2S} for soda-lime glass.

  4. Scaling relationships for adsorption energies of C2 hydrocarbons on transition metal surfaces

    DEFF Research Database (Denmark)

    Jones, Glenn; Studt, Felix; Abild-Pedersen, Frank

    2011-01-01

    Using density functional theory calculations we show that the adsorption energies for C2Hx-type adsorbates on transition metal surfaces scale with each other according to a simple bond order conservation model. This observation generalizes some recently recognized adsorption energy scaling laws...

  5. Evaluation of methods used to determine realized energy savings

    International Nuclear Information System (INIS)

    Boonekamp, Piet G.M.

    2006-01-01

    Most methods to determine realized total energy savings at national or sectoral level make choices, or neglect problems, which hamper the calculation of sound and useful energy-saving figures. Issues are the choice of the right aggregation level, the appropriate variables to construct a reference energy consumption trend, the energy quantities to be applied and interaction between various effects. Uncertainty margins for results lack in most presentations as well. This paper presents six methods, illustrates the adverse effects of certain choices and problems, and investigates how these methods deal with them. The methods are scored with respect to the issues mentioned above. Finally, a number of improvements are suggested, among which the use of final energy demand expressed in primary energy units, and bottom-up analyses at the level of real saving options. The last option is the more important, as it could provide top-down evaluation results (total savings from decomposition) as well as bottom-up policy monitoring results, both being crucial to new European energy-saving policy

  6. A Methodological Comparison between Energy and Environmental Performance Evaluation

    Directory of Open Access Journals (Sweden)

    Francesca Pagliaro

    2015-07-01

    Full Text Available The European Union is working on strategies in order to increase the energy efficiency of buildings. A useful solution is to identify the energy performance of buildings through the Energy Performance Certificate (EPC, as it provides information for the comparison of buildings with different architectural typology, shape, design technology and geographic location. However, this tool does not assess the real energy consumption of the building and does not always take into account its impact on the environment. In this work, two different types of analysis were carried out: one based only on the energy efficiency and the other one based on the environmental impact. Those analyses were applied on a standard building, set in three different Italian locations, with the purpose of obtaining cross-related information. After the evaluation of the results, interventions on some parameters (walls insulation, windows frame, filler gas in the insulated glazing have been identified in order to improve the energy behavior of the building with an acceptable environmental impact. The aim of this paper is to propose a methodology that integrates the EPC with green building rating systems, leading to a more conscious choice of retrofit interventions as a compromise between energy performances and environmental impact.

  7. Electronic energy transfer from molecules to metal and semiconductor surfaces, and chemisorption-induced changes in optical response of the nickel (111) surface

    Energy Technology Data Exchange (ETDEWEB)

    Whitmore, P.M.

    1982-10-01

    The evolution of molecular excited states near solid surfaces is investigated. The mechanisms through which energy is transferred to the surface are described within a classical image dipole picture of the interaction. More sophisticated models for the dielectric response of the solid surface add important new decay channels for the energy dissipation. The predictions and applicability of three of these refined theories are discussed.

  8. Electronic energy transfer from molecules to metal and semiconductor surfaces, and chemisorption-induced changes in optical response of the nickel (111) surface

    International Nuclear Information System (INIS)

    Whitmore, P.M.

    1982-10-01

    The evolution of molecular excited states near solid surfaces is investigated. The mechanisms through which energy is transferred to the surface are described within a classical image dipole picture of the interaction. More sophisticated models for the dielectric response of the solid surface add important new decay channels for the energy dissipation. The predictions and applicability of three of these refined theories are discussed

  9. Investigation of inelastic scattering of ultracold neutrons with small energy transfer at solid state surfaces

    International Nuclear Information System (INIS)

    Lychagin, E.V.; Muzychka, A.Yu.; Nekhaev, G.V.; Strelkov, A.V.; Shvetsov, V.N.; Nesvizhevskij, V.V.; Tal'daev, R.R.

    2001-01-01

    Inelastic scattering of neutrons with small energy transfer of ∼10 -7 eV was investigated using gravitational UCN spectrometer. The probability of such a process at stainless steel and beryllium surfaces was measured. It was also estimated at copper surface. The measurement showed that the detected flux of neutrons scattered at beryllium and copper surfaces is ∼ 2 times higher at room temperature compared to that at the liquid nitrogen temperature. (author)

  10. Evaluation of Encapsulant Adhesion to Surface Metallization of Photovoltaic Cells: Preprint

    Energy Technology Data Exchange (ETDEWEB)

    Tracy, Jared; Dauskardt, Reinhold; Bosco, Nick

    2017-06-14

    Delamination of encapsulant materials from PV cell surfaces often appears to originate at regions with metallization. Using a fracture mechanics based metrology, the adhesion of EVA encapsulant to screen printed silver metallization was evaluated. At room temperature, the fracture energy, Gc [J/m2], of the EVA/silver interface (952 J/m2) was ~70% lower than that of the EVA/AR coating (>2900 J/m2) and ~60% lower than that of the EVA to the surface of cell (2265 J/m2). After only 300 hours of damp heat aging, the adhesion energy of the silver interface dropped to and plateaued at ~50-60 J/m2, while that of the EVA/AR coating and EVA/cell remained mostly unchanged. Elemental surface analysis showed that the EVA separates from the silver in a purely adhesive manner, indicating that bonds at the interface were likely displaced in the presence of humidity and elevated temperature, and may explain the propensity for delamination to occur at metallized surfaces in the field.

  11. Evaluation of upper limb muscle fatigue based on surface electromyography.

    Science.gov (United States)

    Zhou, Qianxiang; Chen, Yuhong; Ma, Chao; Zheng, Xiaohui

    2011-10-01

    Fatigue is believed to be a major contributory factor to occupational injuries in machine operators. The development of accurate and usable techniques to measure operator fatigue is therefore important. In this study, we used a novel method based on surface electromyography (sEMG) of the biceps brachii and the Borg scale to evaluate local muscle fatigue in the upper limb after isometric muscle action. Thirteen young males performed isometric actions with the upper limb at different force levels. sEMG activities of the biceps brachii were recorded during the actions. Borg scales were used to evaluate the subjective sensation of local fatigue of the biceps brachii after the actions. sEMG activities were analyzed using the one-third band octave method, and an equation to determine the degree of fatigue was derived based on the relationship between the variable and the Borg scale. The results showed that the relationship could be expressed by a conic curve, and could be used to evaluate muscle fatigue during machine operation.

  12. Shallow groundwater effect on land surface temperature and surface energy balance under bare soil conditions: modeling and description

    Directory of Open Access Journals (Sweden)

    F. Alkhaier

    2012-07-01

    Full Text Available Understanding when and how groundwater affects surface temperature and energy fluxes is significant for utilizing remote sensing in groundwater studies and for integrating aquifers within land surface models. To investigate the shallow groundwater effect under bare soil conditions, we numerically exposed two soil profiles to identical metrological forcing. One of the profiles had shallow groundwater. The different responses that the two profiles manifested were inspected regarding soil moisture, temperature and energy balance at the land surface. The findings showed that the two profiles differed in three aspects: the absorbed and emitted amounts of energy, the portioning out of the available energy and the heat fluency in the soil. We concluded that due to their lower albedo, shallow groundwater areas reflect less shortwave radiation and consequently get a higher magnitude of net radiation. When potential evaporation demand is sufficiently high, a large portion of the energy received by these areas is consumed for evaporation. This increases the latent heat flux and reduces the energy that could have heated the soil. Consequently, lower magnitudes of both sensible and ground heat fluxes are caused to occur. The higher soil thermal conductivity in shallow groundwater areas facilitates heat transfer between the top soil and the subsurface, i.e. soil subsurface is more thermally connected to the atmosphere. For the reliability of remote sensors in detecting shallow groundwater effect, it was concluded that this effect can be sufficiently clear to be detected if at least one of the following conditions occurs: high potential evaporation and high contrast between day and night temperatures. Under these conditions, most day and night hours are suitable for shallow groundwater depth detection.

  13. Energy spectra and charge states of light atoms scattered by solid surface

    International Nuclear Information System (INIS)

    Parilis, E.S.; Verleger, V.K.

    1980-01-01

    The theories of backscattering and charge state formation of light atoms (H, D, and He) for the energy range 1 keV 0 0 and theta. The dependence of epsilonsub(max) on theta determines the mean effective range for the scattering at the angle theta. The appearance of surface peaks in the energy spectra of neutrals below energy E 0 + , Hsup(*), and H - . (orig.)

  14. Evaluation of Energy Use in Public Housing in Lagos, Nigeria: Prospects for Renewable Energy Sources

    Directory of Open Access Journals (Sweden)

    Isidore Chukwunweike Ezema

    2016-02-01

    Full Text Available Even though domestic energy can be from either renewable or non-renewable sources, the former is preferred because of its role in reducing both the operational energy intensity and carbon footprint. Given the positive role renewable energy plays in the energy mix, this paper examined the pattern of operational energy use with particular reference to the renewable and non-renewable energy content in medium and high density public residential buildings in Lagos, Nigeria. A survey research method was adopted for primary data collection while data analysis was by descriptive statistics. The study found that renewable energy use in the residential units is very low. In contrast, there was high dependence of the occupants on non-renewable direct fuel combustion through the use of fossil fuel-driven privately-owned electricity generators for electricity supply as a result of the inadequate supply from the national grid. In addition to the relatively high operational energy intensity observed in the studied buildings, the findings have implications for the safety, health and wellbeing of the building occupants as well as for carbon emissions from the buildings and for overall environmental sustainability. Recommendations to increase renewable energy use in new buildings and as retrofits in existing buildings were made. Article History: Received Oct 18, 2015; Received in revised form January 14, 2016; Accepted January 30, 2016; Available online How to Cite This Article: Ezema, I.C., Olotuah, A.O., and Fagbenle, O.I, S. (2016 Evaluation of Energy Use in Public Housing in Lagos, Nigeria: Prospects for Renewable Energy Sources. Int. Journal of Renewable Energy Development, 5(1,15-24. http://dx.doi.org/10.14710/ijred.5.1.15-24 

  15. Agro-energy supply chain planning: a procedure to evaluate economic, energy and environmental sustainability

    Directory of Open Access Journals (Sweden)

    Fabrizio Ginaldi

    2012-07-01

    Full Text Available The increasing demand for energy and expected shortage in the medium term, solicit innovative energy strategies to fulfill the increasing gap between demand-supply. For this purpose it is important to evaluate the potential supply of the energy crops and finding the areas of EU where it is most convenient. This paper proposes an agro-energy supply chain approach to planning the biofuel supply chain at a regional level. The proposed methodology is the result of an interdisciplinary team work and is aimed to evaluate the potential supply of land for the energy production and the efficiency of the processing plants considering simultaneously economic, energy and environmental targets. The crop simulation, on the basis of this approach, takes into account environmental and agricultural variables (soil, climate, crop, agronomic technique that affect yields, energy and economic costs of the agricultural phase. The use of the Dijkstra’s algorithm allows minimizing the biomass transport path from farm to collecting points and the processing plant, to reduce both the transport cost and the energy consumption. Finally, a global sustainability index (ACSI, Agro-energy Chain Sustainability Index is computed combining economic, energy and environmental aspects to evaluate the sustainability of the Agroenergy supply chain (AESC on the territory. The empirical part consists in a pilot study applied to the whole plain of Friuli Venezia Giulia (FVG a region situated in the North-Eastern part of Italy covering about 161,300 ha. The simulation has been applied to the maize cultivation using three different technologies (different levels of irrigation and nitrogen fertilization: low, medium and high input. The higher input technologies allow to achieve higher crop yields, but affect negatively both the economic and energy balances. Low input levels provides, on the average, the most favourable energy and economic balances. ACSI indicates that low inputs levels

  16. Effect of ion irradiation on the surface energy of deposited coatings

    Science.gov (United States)

    Eremin, E. N.; Guchenko, S. A.; Kasymov, S. S.; Yurov, V. M.; Vedyashkin, M. V.

    2017-01-01

    We investigated multi-element coatings exposed to argon ion bombardment. The coatings were irradiated using a multi-ampere hollow-cathode ion source. The arc current was 1 A, and the potential of the substrate was maintained equal to 300 V. The surface tension (surface energy) of the coatings was measured before and after irradiation through the size-dependence of the microhardness and electrical resistivity of coatings on their thickness. Ion irradiation was found to affect the surface energy of the coatings in different ways. This is due to both the structure of the coating and its elemental composition.

  17. DETERMINING THE VALUE OF SURFACE FREE ENERGY ON THE BASIS OF THE CONTACT ANGLE

    Directory of Open Access Journals (Sweden)

    Mariusz Kłonica

    2017-03-01

    Full Text Available This paper presents the results of tests concerning the value of surface free energy on the basis of measurements of contact angle with measure liquids: distilled water and diiodomethane. The surface of steel-316L samples was modified in an ozone atmosphere, and the concentration of ozone and the conditioning time of the samples in the reaction chamber were changed. The results of tests concerning the measurements of the value of surface free energy were subject to analysis. Also analysed were the components of SFE: the polar and dispersive components. The obtained test results were analysed in statistical terms. The paper ends with conclusions.

  18. Thermodynamic imbalance, surface energy, and segregation reveal the true origin of nanotube synthesis.

    Science.gov (United States)

    Mohammad, S Noor

    2012-03-02

    Extensive analyses of thermodynamic imbalance, surface energy, and segregation of nanotubes on nanoparticle surfaces are performed. A model for surface energy i developed. In addition, nanotube growth both by vapor-phase and solid-phase mechanisms is described. Segregation of the nanotube species to the periphery of the nanoparticle, the creation of an amorphous shell at this periphery, a droplet created in this shell, and the mediation of this droplet for supersaturation and nucleation of the nanotube species may be the true causes of nanotube growth. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Survival probability in small angle scattering of low energy alkali ions from alkali covered metal surfaces

    International Nuclear Information System (INIS)

    Neskovic, N.; Ciric, D.; Perovic, B.

    1982-01-01

    The survival probability in small angle scattering of low energy alkali ions from alkali covered metal surfaces is considered. The model is based on the momentum approximation. The projectiles are K + ions and the target is the (001)Ni+K surface. The incident energy is 100 eV and the incident angle 5 0 . The interaction potential of the projectile and the target consists of the Born-Mayer, the dipole and the image charge potentials. The transition probability function corresponds to the resonant electron transition to the 4s projectile energy level. (orig.)

  20. Energy and angle resolved ion scattering spectroscopy: new possibilities for surface analysis

    International Nuclear Information System (INIS)

    Hellings, G.J.A.

    1986-01-01

    In this thesis the design and development of a novel, very sensitive and high-resolving spectrometer for surface analysis is described. This spectrometer is designed for Energy and Angle Resolved Ion Scattering Spectroscopy (EARISS). There are only a few techniques that are sensitive enough to study the outermost atomic layer of surfaces. One of these techniques, Low-Energy Ion Scattering (LEIS), is discussed in chapter 2. Since LEIS is destructive, it is important to make a very efficient use of the scattered ions. This makes it attractive to simultaneously carry out energy and angle dependent measurements (EARISS). (Auth.)

  1. 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)

  2. Evaluation of energy system analysis techniques for identifying underground facilities

    Energy Technology Data Exchange (ETDEWEB)

    VanKuiken, J.C.; Kavicky, J.A.; Portante, E.C. [and others

    1996-03-01

    This report describes the results of a study to determine the feasibility and potential usefulness of applying energy system analysis techniques to help detect and characterize underground facilities that could be used for clandestine activities. Four off-the-shelf energy system modeling tools were considered: (1) ENPEP (Energy and Power Evaluation Program) - a total energy system supply/demand model, (2) ICARUS (Investigation of Costs and Reliability in Utility Systems) - an electric utility system dispatching (or production cost and reliability) model, (3) SMN (Spot Market Network) - an aggregate electric power transmission network model, and (4) PECO/LF (Philadelphia Electric Company/Load Flow) - a detailed electricity load flow model. For the purposes of most of this work, underground facilities were assumed to consume about 500 kW to 3 MW of electricity. For some of the work, facilities as large as 10-20 MW were considered. The analysis of each model was conducted in three stages: data evaluation, base-case analysis, and comparative case analysis. For ENPEP and ICARUS, open source data from Pakistan were used for the evaluations. For SMN and PECO/LF, the country data were not readily available, so data for the state of Arizona were used to test the general concept.

  3. Low energy helium ion irradiation induced nanostructure formation on tungsten surface

    International Nuclear Information System (INIS)

    Al-Ajlony, A.; Tripathi, J.K.; Hassanein, A.

    2017-01-01

    We report on the low energy helium ion irradiation induced surface morphology changes on tungsten (W) surfaces under extreme conditions. Surface morphology changes on W surfaces were monitored as a function of helium ion energy (140–300 eV), fluence (2.3 × 10 24 –1.6 × 10 25 ions m −2 ), and flux (2.0 × 10 20 –5.5 × 10 20 ion m −2 s −1 ). All the experiments were performed at 900° C. Our study shows significant effect of all the three ion irradiation parameters (ion flux, fluence, and energy) on the surface morphology. However, the effect of ion flux is more pronounced. Variation of helium ion fluence allows to capture the very early stages of fuzz growth. The observed fuzz growth and morphology changes were understood in the realm of various possible phenomena. The study has relevance and important impact in the current and future nuclear fusion applications. - Highlights: •Reporting formation of W nanostructure (fuzz) due to low energy He ion beam irradiation. •Observing the very early stages for the W-Fuzz formation. •Tracking the surface morphological evolution during the He irradiation. •Discussing in depth our observation and drawing a possible scenario that explain this phenomenon. •Studying various ions irradiation parameters such as flux, fluence, and ions energy.

  4. Evaluating regional body surface motion during breathing using stereophotogrammetry

    Science.gov (United States)

    Adams, L. P.; Rüther, H.; Klein, M.

    The stereophotometric analysis of biological forms in medicine has been usefully employed for many years. Generally, the methods adopted have involved the use of stereo pairs of traditional photographs or radiographs. Although very successful, the traditional methods are time-consuming. Developments in solid-state and videoscan cameras, in computer hardware and in image processing technology have lead to real-time photogrammetry (RTP) or near-real-time photogrammetry (NRTP). It is anticipated that RTP and NRTP will play a vital role in biostereometric studies. This paper discusses the development of a low-cost PC-based NRTP system and the possibility of using NRTP in an ongoing biostereometric study which has been developed for studying regional body surface motion in the evaluation of respiratory muscle function and in which digital cameras will be substituted for analogue cameras and computer digitisation will be substituted for manual observation.

  5. Inter-comparison of four remote sensing based surface energy balance methods to retrieve surface evapotranspiration and water stress of irrigated fields in semi-arid climate

    Science.gov (United States)

    Chirouze, J.; Boulet, G.; Jarlan, L.; Fieuzal, R.; Rodriguez, J. C.; Ezzahar, J.; Er-Raki, S.; Bigeard, G.; Merlin, O.; Garatuza-Payan, J.; Watts, C.; Chehbouni, G.

    2013-01-01

    Remotely sensed surface temperature can provide a good proxy for water stress level and is therefore particularly useful to estimate spatially distributed evapotranspiration. Instantaneous stress levels or instantaneous latent heat flux are deduced from the surface energy balance equation constrained by this equilibrium temperature. Pixel average surface temperature depends on two main factors: stress and vegetation fraction cover. Methods estimating stress vary according to the way they treat each factor. Two families of methods can be defined: the contextual methods, where stress levels are scaled on a given image between hot/dry and cool/wet pixels for a particular vegetation cover, and single-pixel methods which evaluate latent heat as the residual of the surface energy balance for one pixel independently from the others. Four models, two contextual (S-SEBI and a triangle method, inspired by Moran et al., 1994) and two single-pixel (TSEB, SEBS) are applied at seasonal scale over a four by four km irrigated agricultural area in semi-arid northern Mexico. Their performances, both at local and spatial standpoints, are compared relatively to energy balance data acquired at seven locations within the area, as well as a more complex soil-vegetation-atmosphere transfer model forced with true irrigation and rainfall data. Stress levels are not always well retrieved by most models, but S-SEBI as well as TSEB, although slightly biased, show good performances. Drop in model performances is observed when vegetation is senescent, mostly due to a poor partitioning both between turbulent fluxes and between the soil/plant components of the latent heat flux and the available energy. As expected, contextual methods perform well when extreme hydric and vegetation conditions are encountered in the same image (therefore, esp. in spring and early summer) while they tend to exaggerate the spread in water status in more homogeneous conditions (esp. in winter).

  6. SURFACE INTEGRITY EVALUATION OF TURNING WITH AUTO-ROTATING TOOL

    Directory of Open Access Journals (Sweden)

    Jozef Struharnansky

    2016-09-01

    Full Text Available The technical practice requirements comes to have increased demands on higher productivity, speed and quality of the machining process of various materials. Hard to machine materials, whose machining led to the development of turning with rotating cutting edge are not an exception. The machining process of auto-rotating tool is more complicated than the conventional process of turning, especially for the process of reshaping cutting layers into chips. There is a significant load in the system, that may affect the life of the cutting edge of the tool as well as the whole system and also in the final extent of the qualitative parameters of the workpiece (product / product. The article specifies the knowledge and findings of measurement in machining material 100Cr6 with an auto-rotating tool. The measurements were conducted to evaluate the integrity of the surface (roughness of the workpiece to the impacts of cutting conditions, in particular the feed and the cutting edge inclination. It also analyzes the presence (size, character, action of residual stresses concentrated in the surface layers of the workpiece by changing the cutting conditions.

  7. Energy storage and dispersion of surface acoustic waves trapped in a periodic array of mechanical resonators

    DEFF Research Database (Denmark)

    Dühring, Maria Bayard; Laude, Vincent; Khelif, Abdelkrim

    2009-01-01

    confined to the electrode as compared to the total mechanical energy is calculated and is found to be increasing for increasing aspect ratio and to tend to a definite limit for the two families of surface waves. This observation is in support of the interpretation that high aspect ratio electrodes act......It has been shown previously that surface acoustic waves can be efficiently trapped and slowed by steep ridges on a piezoelectric substrate, giving rise to two families of shear-horizontal and vertically polarized surface waves. The mechanisms of energy storage and dispersion are explored by using...... the finite element method to model surface acoustic waves generated by high aspect ratio electrodes. A periodic model is proposed including a perfectly matched layer to simulate radiation conditions away from the sources, from which the modal distributions are found. The ratio of the mechanical energy...

  8. Spatiotemporal variability in surface energy balance across tundra, snow and ice in Greenland

    DEFF Research Database (Denmark)

    Lund, Magnus; Stiegler, Christian; Abermann, Jakob

    2017-01-01

    The surface energy balance (SEB) is essential for understanding the coupled cryosphere–atmosphere system in the Arctic. In this study, we investigate the spatiotemporal variability in SEB across tundra, snow and ice. During the snow-free period, the main energy sink for ice sites is surface melt....... For tundra, energy is used for sensible and latent heat flux and soil heat flux leading to permafrost thaw. Longer snow-free period increases melting of the Greenland Ice Sheet and glaciers and may promote tundra permafrost thaw. During winter, clouds have a warming effect across surface types whereas during...... summer clouds have a cooling effect over tundra and a warming effect over ice, reflecting the spatial variation in albedo. The complex interactions between factors affecting SEB across surface types remain a challenge for understanding current and future conditions. Extended monitoring activities coupled...

  9. Surface energy-tunable iso decyl acrylate based molds for low pressure-nanoimprint lithography

    Science.gov (United States)

    Tak, Hyowon; Tahk, Dongha; Jeong, Chanho; Lee, Sori; Kim, Tae-il

    2017-10-01

    We presented surface energy-tunable nanoscale molds for unconventional lithography. The mold is highly robust, transparent, has a minimized haze, does not contain additives, and is a non-fluorinated isodecyl acrylate and trimethylolpropane triacrylate based polymer. By changing the mixing ratio of the polymer components, the cross-linking density, mechanical modulus, and surface energy (crucial factors in low pressure ((1-2) × 105 N m-2) low pressure-nanoimprint lithography (LP-NIL)), can be controlled. To verify these properties of the molds, we also characterized the surface energy by measuring the contact angles and calculating the work of adhesion among the wafer, polymer film, and mold for successful demolding in nanoscale structures. Moreover, the molds showed high optical clarity and precisely tunable mechanical and surface properties, capable of replicating sub-100 nm patterns by thermal LP-NIL and UV-NIL.

  10. Accurate adsorption energies of small molecules on oxide surfaces: CO-MgO(001).

    Science.gov (United States)

    Boese, A Daniel; Sauer, Joachim

    2013-10-21

    A hybrid MP2:DFT + D optimization method is applied using a 3 × 3 × 2 cluster model (Mg9O9) embedded in a 4 × 4 × 4 slab model. The calculated CO-Mg(2+) distance is 248 pm, and the calculated CO frequency (blue) shift is 20 cm(-1), 6 cm(-1) larger than the experimental value. For the structure obtained, MP2 calculations with basis set extrapolation on a series of cluster models of increasing size are performed. Taking into account the difference in the periodic limit at the DFT + D level, 20.9 ± 0.7 kJ mol(-1) is obtained as the estimate for the full periodic MP2 limit for the energy of CO desorption from the MgO(001) surface. CCSD(T) corrections are evaluated for the Mg9O9 cluster model using an augmented double-zeta basis set. Basis set extension effects are examined for smaller models. For a loading of Θ = 1/8, the estimated CCSD(T) value is 21.0 ± 1.0 kJ mol(-1), which is 0.4 ± 1.0 kJ mol(-1) larger than the (electronic) desorption energy derived in this study from TPD desorption barriers reported in the literature.

  11. Evaluation of energy saving tasks performed by the energy transmission and distribution companies; Denmark; Evaluering af energiselskabernes energibespareaktiviteter

    Energy Technology Data Exchange (ETDEWEB)

    Togeby, M. (Ea Energianalyse A/S, Copenhagen (Denmark))

    2012-05-15

    The evaluation is described in the Agreement of 20 November 2009 between the Danish Climate and Energy Minister and the distribution companies for electricity, natural gas, district heating and oil about the companies' future energy conservation efforts. The evaluation was conducted to provide recommendations for adjusting the system. The results of the evaluation show that energy companies and utilities meet the overall savings obligation. In 2011, 2,098 GWh savings are recorded, which is more than the obligation. The evaluation shows that the net effect is about 760 GWh (36%). When looking at types of energy companies, then the oil companies' activities generally have a low net effect and additionally is assessed to be low in relation to the district heating companies' renovation of the district heating network. The greatest additionally exists among large savings in the industry. The means that energy companies use to achieve savings obligations are significantly different today than a few years ago. Today there are grants for more than 85% of registered savings. Before 2006 primarily information and advice was used. Thus an estimated 400 million DKK annually is used for grants. Socio-economics is positive for the part of the effort that is aimed at businesses. The socio-economic value of the savings is calculated to be twice as large as the total cost when you only look at the industry. The system can thus be readily seen as a useful instrument to promote energy conservation in industry. For households, it is estimated that the net effect is 20% of the reported savings, while for industry the net effect is estimated to be 45%. Also, for renovations of the heat distribution networks the net effect is estimated to be low. (LN)

  12. Towards hot electron mediated charge exchange in hyperthermal energy ion-surface interactions

    DEFF Research Database (Denmark)

    Ray, M. P.; Lake, R. E.; Thomsen, Lasse Bjørchmar

    2010-01-01

    electrons useful for driving chemical reactions at surfaces. Using the binary collision approximation and a nonadiabatic model that takes into account the time-varying nature of the ion–surface interaction, the energy loss of the ions is reproduced. The energy loss for Na + ions incident on the devices......We have made Na + and He + ions incident on the surface of solid state tunnel junctions and measured the energy loss due to atomic displacement and electronic excitations. Each tunnel junction consists of an ultrathin film metal–oxide–semiconductor device which can be biased to create a band of hot...... shows that the primary energy loss mechanism is the atomic displacement of Au atoms in the thin film of the metal–oxide–semiconductor device. We propose that neutral particle detection of the scattered flux from a biased device could be a route to hot electron mediated charge exchange....

  13. Effect of microwave-assisted heating on chalcopyrite leaching of kinetics, interface temperature and surface energy

    Directory of Open Access Journals (Sweden)

    Tong Wen

    Full Text Available The microwave-assisted leaching was a new approach to intensify the copper recovery from chalcopyrite by hydrometallurgy. In this work, the effect of microwave-assisted heating on chalcopyrite leaching of kinetics, interfacial reaction temperature and surface energy were investigated. The activation energy of chalcopyrite leaching was affected indistinctively by the microwave-assisted heating (39.1 kJ/mol compared with the conventional heating (43.9 kJ/mol. However, the boiling point of the leaching system increased through microwave-assisted heating. Because of the improved boiling point and the selective heating of microwave, the interfacial reaction temperature increased significantly, which gave rise to the increase of the leaching recovery of copper. Moreover, the surface energy of the chalcopyrite through microwave-assisted heating was also enhanced, which was beneficial to strengthen the leaching of chalcopyrite. Keywords: Microwave-assisted heating, Chalcopyrite, Leaching kinetics, Interface temperature, Surface energy

  14. Accident Risks In The Energy Sector: Comparative Evaluations

    International Nuclear Information System (INIS)

    Hirschberg, S.; Burgherr, P.

    2005-01-01

    Severe accidents are considered one of the most controversial issues in current comparative studies of the environmental and health impact of energy systems. The present work focuses on severe accident scenarios relating to fossil energy chains (coal, oil and gas), nuclear power and hydro-power. The scope of the study is not limited to the power production (conversion) step of these energy chains, but, wherever applicable, also includes full energy chains. With the exception of the nuclear chain, the focus of the present work is on the evaluation of the historical experience of accidents. The basis for this evaluation is the comprehensive database ENSAD (Energy-Related Severe Accident Database), which has been established at PSI. For hypothetical nuclear accidents, a probabilistic technique has also been employed. The broader picture, derived from examination of full energy chains, leads, on a world-wide basis, to the conclusion that immediate fatality rates are much higher for the fossil chains than expected if only power plants are considered. Generally, immediate fatality rates are significantly higher for non-OECD countries than for OECD countries, and, in the case of hydro and nuclear, the difference is rather dramatic. In addition to aggregated values, frequency-consequence curves are also provided, since they not only reflect implicitly a ranking based on aggregated values, but also include such information as the observed, or predicted, chain-specific maximum extent of damages. Finally, damage and external costs of severe accidents for the different energy chains have been estimated, based on the unit cost values for the various consequence types. (author)

  15. Experiment Evaluation of Skin Friction Drag by Surface Tailoring

    Science.gov (United States)

    Manigandan, S.; Gopal krishna, K.; Gagan Kumar, K.; Gunasekar, P.; Nithya, S.

    2017-08-01

    Reduction of drag is an important role of aerodynamic specialist in real time world. The performance of forward moving object improved when the drag is reduced. Skin friction drag caused when the fluid tending to shear along the surface of the body and it is dependent on energy expenditure. Initial research concluded that nearly 20 to 40% of total drag is skin friction drag, based on flight forward velocity. This means a lot of fuel burned. In this paper we investigate a methodology to reduce the skin friction drag by implementing different kinds of exterior treatments. The ideology inspired from the world fastest moving oceanic creature. Structures are fabricated based on the replica of scales of the oceanic creature. The outer skin of the aerofoil NACA0012 is modified like shark scales. Then it is tested using open type sub sonic wind tunnel. In addition to that, the leading edge thickness effect also studied. The turbulent flow phenomenon is validated at different velocities and compared with numerical results using STAR CCM+. From the plots and graphical results, it is found that the skin friction drag is generated less due to reduction of transverse shear stress present in turbulent flow and skin friction drag depends on boundary layer thickness and on the percentage of chord of flow separation. In addition to this, the result delivers that the ordinary polished surface produces more drag than the modified scales. The outlook of this technology is excrescence for different applications. This open section wind tunnel testing produces 10-15% reduction in drag and can be turn to high values when the experiment is conducted in closed section wind tunnel with real time atmospheric conditions, which can be done as a future work.

  16. Method Evaluations for Adsorption Free Energy Calculations at the Solid/Water Interface through Metadynamics, Umbrella Sampling, and Jarzynski's Equality.

    Science.gov (United States)

    Wei, Qichao; Zhao, Weilong; Yang, Yang; Cui, Beiliang; Xu, Zhijun; Yang, Xiaoning

    2018-03-19

    Considerable interest in characterizing protein/peptide-surface interactions has prompted extensive computational studies on calculations of adsorption free energy. However, in many cases, each individual study has focused on the application of free energy calculations to a specific system; therefore, it is difficult to combine the results into a general picture for choosing an appropriate strategy for the system of interest. Herein, three well-established computational algorithms are systemically compared and evaluated to compute the adsorption free energy of small molecules on two representative surfaces. The results clearly demonstrate that the characteristics of studied interfacial systems have crucial effects on the accuracy and efficiency of the adsorption free energy calculations. For the hydrophobic surface, steered molecular dynamics exhibits the highest efficiency, which appears to be a favorable method of choice for enhanced sampling simulations. However, for the charged surface, only the umbrella sampling method has the ability to accurately explore the adsorption free energy surface. The affinity of the water layer to the surface significantly affects the performance of free energy calculation methods, especially at the region close to the surface. Therefore, a general principle of how to discriminate between methodological and sampling issues based on the interfacial characteristics of the system under investigation is proposed. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Impact of highway construction on land