WorldWideScience

Sample records for surface energy parameters

  1. Estimation of Key Parameters of the Coupled Energy and Water Model by Assimilating Land Surface Data

    Science.gov (United States)

    Abdolghafoorian, A.; Farhadi, L.

    2017-12-01

    Accurate estimation of land surface heat and moisture fluxes, as well as root zone soil moisture, is crucial in various hydrological, meteorological, and agricultural applications. Field measurements of these fluxes are costly and cannot be readily scaled to large areas relevant to weather and climate studies. Therefore, there is a need for techniques to make quantitative estimates of heat and moisture fluxes using land surface state observations that are widely available from remote sensing across a range of scale. In this work, we applies the variational data assimilation approach to estimate land surface fluxes and soil moisture profile from the implicit information contained Land Surface Temperature (LST) and Soil Moisture (SM) (hereafter the VDA model). The VDA model is focused on the estimation of three key parameters: 1- neutral bulk heat transfer coefficient (CHN), 2- evaporative fraction from soil and canopy (EF), and 3- saturated hydraulic conductivity (Ksat). CHN and EF regulate the partitioning of available energy between sensible and latent heat fluxes. Ksat is one of the main parameters used in determining infiltration, runoff, groundwater recharge, and in simulating hydrological processes. In this study, a system of coupled parsimonious energy and water model will constrain the estimation of three unknown parameters in the VDA model. The profile of SM (LST) at multiple depths is estimated using moisture diffusion (heat diffusion) equation. In this study, the uncertainties of retrieved unknown parameters and fluxes are estimated from the inverse of Hesian matrix of cost function which is computed using the Lagrangian methodology. Analysis of uncertainty provides valuable information about the accuracy of estimated parameters and their correlation and guide the formulation of a well-posed estimation problem. The results of proposed algorithm are validated with a series of experiments using a synthetic data set generated by the simultaneous heat and

  2. [Energy dispersive spectrum analysis of surface compositions of selective laser melting cobalt-chromium alloy fabricated by different processing parameters].

    Science.gov (United States)

    Qian, Liang; Zeng, Li; Wei, Bin; Gong, Yao

    2015-06-01

    To fabricate selective laser melting cobalt-chromium alloy samples by different processing parameters, and to analyze the changes of energy dispersive spectrum(EDS) on their surface. Nine groups were set up by orthogonal experimental design according to different laser powers,scanning speeds and powder feeding rates(laser power:2500-3000 W, scanning speed: 5-15 mm/s, powder feeding rate: 3-6 r/min). Three cylinder specimens(10 mm in diameter and 3 mm in thickness) were fabricated in each group through Rofin DL 035Q laser cladding system using cobalt-chromium alloy powders which were developed independently by our group.Their surface compositions were then measured by EDS analysis. Results of EDS analysis of the 9 groups fabricated by different processing parameters(Co:62.98%-67.13%,Cr:25.56%-28.50%,Si:0.49%-1.23%) were obtained. They were similar to the compositions of cobalt-chromium alloy used in dental practice. According to EDS results, the surface compositions of the selective laser melting cobalt-chromium alloy samples are stable and controllable, which help us gain a preliminary sight into the range of SLM processing parameters. Supported by "973" Program (2012CB910401) and Research Fund of Science and Technology Committee of Shanghai Municipality (12441903001 and 13140902701).

  3. Dispersive Surface Energy and Acid-Base Parameters of Tosylate Functionalized Poly(ethylene glycol via Inverse Gas Chromatography

    Directory of Open Access Journals (Sweden)

    Feyza Sesigur

    2014-01-01

    Full Text Available An inverse gas chromatographic (IGC study of the sorption properties of poly(ethylene glycol modified with tosylate (PEG-TOS was presented. PEG-TOS was synthesized via the tosylation of the corresponding poly(ethylene glycol (PEG with p-toluenesulfonyl chloride in the basic medium. The synthesized PEG-Tos was characterized by FTIR-ATR and 1HNMR techniques. The retention diagrams of n-hexane, n-heptane, n-octane, n-nonane, n-decane, dichloromethane, chloroform, acetone, tetrahydrofuran, ethyl acetate, and ethanol on the PEG and PEG-Tos were plotted at temperatures in K between 303 and 373 by inverse gas chromatography technique. The dispersive component of the surface-free energy, γSD, of studied adsorbent surface was estimated using retention times of different nonpolar organics in the infinite dilution region. Thermodynamic parameters of adsorption (free energy, ΔGAS, enthalpy, ΔHAS, and entropy, ΔSAS, dispersive components of the surface energies, γSD, and the acid, KA, and base, KD, constants for the PEG and PEG-Tos were calculated and the results were discussed.

  4. Parameter uncertainty, refreezing and surface energy balance modelling at Austfonna ice cap, Svalbard, over 2004–2008

    NARCIS (Netherlands)

    Oestby, T.I.; Schuler, T.V.; Hagen, J.O.; Hock, Regine; Reijmer, C.H.

    2013-01-01

    We apply a physically based coupled surface energy balance and snowpack model to a site close to the equilibrium line on Austfonna ice cap, Svalbard, over the 2004–08 melt seasons, to explain contributions to the energy available for melting and to quantify the significance of refreezing. The model

  5. 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...

  6. The utilization of surface free-energy parameters for the selection of a suitable binder in fluidized bed granulation.

    Science.gov (United States)

    Planinsek, O; Pisek, R; Trojak, A; Srcic, S

    2000-10-10

    Surface free energy was determined for model substances pentoxyfilline, acyclovir, lactose and binding agents (that were used in the granulation process) hydroxypropilmethyl cellulose (HPMC) and polyvinylpyrrolidone (PVP) were determined by contact angle measurements. The methods of Wu, Good-van Oss and Della Volpe were used for solid-surface free-energy calculation. Spreading coefficients (S) were calculated and correlated with granulate properties. Granulates consisted of model drug and binding agent, and were produced in fluid bed granulator Glatt powder coater granulator GPCG1 by means of spraying the colloidal solution of binder on the model substance. Granules contained either 5% or 10% binder. Inverse granules, however, were also produced by spraying the model drug (i.e. pentoxyfilline and lactose) on the binding agent (HPMC, PVP). Particle size distribution, friability, true density, bulk density and tapped density of the granulates were determined. Although many different parameters influence the granule properties, it has been found that the interactions between the drug and the binder play a very important role. Spreading coefficients were found to be in good correlation with the friability of granulates. Positive spreading coefficient values of the binder over the model substance correlate well with the low friability of the granules containing lower amount of binder, i.e. 5%. In the group of the same binder, the spreading coefficient values decrease from pentoxyfilline over lactose to acyclovir. Friability results show that, for the system under consideration, PVP offers certain advantages over the grade of HPMC employed. The increase of the binder amount from 5 to 10% resulted in more friable granulates. Lower work of cohesion of the binder (PVP and HPMC) than the work of adhesion between binder and the model substances is considered responsible for the higher friability of the granules. The inverse granulation process, where the suspension of the

  7. 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].

  8. 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.

  9. 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.

  10. 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.

  11. Useful surface parameters for biomaterial discrimination.

    Science.gov (United States)

    Etxeberria, Marina; Escuin, Tomas; Vinas, Miquel; Ascaso, Carlos

    2015-01-01

    Topographical features of biomaterials' surfaces are determinant when addressing their application site. Unfortunately up to date there has not been an agreement regarding which surface parameters are more representative in discriminating between materials. Discs (n = 16) of different currently used materials for implant prostheses fabrication, such as cast cobalt-chrome, direct laser metal soldered (DLMS) cobalt-chrome, titanium grade V, zirconia (Y-TZP), E-glass fiber-reinforced composite and polyetheretherketone (PEEK) were manufactured. Nanoscale topographical surface roughness parameters generated by atomic force microscopy (AFM), microscale surface roughness parameters obtained by white light interferometry (WLI) and water angle values obtained by the sessile-water-drop method were analyzed in order to assess which parameter provides the best optimum surface characterization method. Correlations between nanoroughness, microroughness, and hydrophobicity data were performed to achieve the best parameters giving the highest discriminatory power. A subset of six parameters for surface characterization were proposed. AFM and WLI techniques gave complementary information. Wettability did not correlate with any of the nanoroughness parameters while it however showed a weak correlation with microroughness parameters. © Wiley Periodicals, Inc.

  12. Effect of Burnishing Parameters on Surface Finish

    Science.gov (United States)

    Shirsat, Uddhav; Ahuja, Basant; Dhuttargaon, Mukund

    2017-08-01

    Burnishing is cold working process in which hard balls are pressed against the surface, resulting in improved surface finish. The surface gets compressed and then plasticized. This is a highly finishing process which is becoming more popular. Surface quality of the product improves its aesthetic appearance. The product made up of aluminum material is subjected to burnishing process during which kerosene is used as a lubricant. In this study factors affecting burnishing process such as burnishing force, speed, feed, work piece diameter and ball diameter are considered as input parameters while surface finish is considered as an output parameter In this study, experiments are designed using 25 factorial design in order to analyze the relationship between input and output parameters. The ANOVA technique and F-test are used for further analysis.

  13. EXAFS Energy Shift and Structural Parameters

    International Nuclear Information System (INIS)

    Kelly, Shelly D.; Ravel, Bruce

    2007-01-01

    In EXAFS analysis, the energy shift parameter is used to align the theoretical calculated spectrum to the energy grid of the measured spectrum. Unrealistically large energy shift values, sometimes in excess of 20 eV, are at times published in research articles. We therefore see the need for a concise discussion of the EXAFS energy shift parameter. This paper is intended as a learning tool for the proper alignment of theory to measured EXAFS spectra and proper interpretation of the energy shift parameter

  14. The Effect of Sputtering Parameters and Doping of Copper on Surface Free Energy and Magnetic Properties of Iron and Iron Nitride Nano Thin Films on Polymer Substrate

    Directory of Open Access Journals (Sweden)

    Waheed Khan

    2017-02-01

    Full Text Available The objective of this study was to deposit thin films on PET polymer substrate and examine the functional properties systematically. Their properties have been studied as a function of the N2-Ar flow rates, deposition time span and Cu doping. Iron nitride film deposited on both sides exhibits ferromagnetic phases, γ′-Fe4N and ε-Fe3N co-existed, shows negligible magnetic anisotropy. Other samples show the evolution of N-rich (FeN, Fe2N and N-poor (Fe16N2, Fe3N, Fe4N phases under different deposition time conditions. XPS analysis and free energy calculations confirmed that co-sputtered Fe-Cu thin films are more stable than layer deposited counterparts. From VSM results it is evident that the dominant phase, changes steadily from the ferromagnetic α-Fe (N to the paramagnetic ξ-Fe2N with the increase of nitrogen flow rates and the ordering of the nitrogen atoms. Binding energy increases steadily from 733 eV to 740 eV with the increasing thickness of thin films from 74 nm to 94 nm. It was observed that surface energy decreases as the contact angle of glycol increases and changes the thin film surface from polar to nonpolar. TEM images indicate that cubic γ′-Fe4N and ε-Fe3N nano particles oriented in preferred directions dispersed uniformly in the amorphous iron nitride matrix.

  15. 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

  16. 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...

  17. Parameter optimization for surface flux transport models

    Science.gov (United States)

    Whitbread, T.; Yeates, A. R.; Muñoz-Jaramillo, A.; Petrie, G. J. D.

    2017-11-01

    Accurate prediction of solar activity calls for precise calibration of solar cycle models. Consequently we aim to find optimal parameters for models which describe the physical processes on the solar surface, which in turn act as proxies for what occurs in the interior and provide source terms for coronal models. We use a genetic algorithm to optimize surface flux transport models using National Solar Observatory (NSO) magnetogram data for Solar Cycle 23. This is applied to both a 1D model that inserts new magnetic flux in the form of idealized bipolar magnetic regions, and also to a 2D model that assimilates specific shapes of real active regions. The genetic algorithm searches for parameter sets (meridional flow speed and profile, supergranular diffusivity, initial magnetic field, and radial decay time) that produce the best fit between observed and simulated butterfly diagrams, weighted by a latitude-dependent error structure which reflects uncertainty in observations. Due to the easily adaptable nature of the 2D model, the optimization process is repeated for Cycles 21, 22, and 24 in order to analyse cycle-to-cycle variation of the optimal solution. We find that the ranges and optimal solutions for the various regimes are in reasonable agreement with results from the literature, both theoretical and observational. The optimal meridional flow profiles for each regime are almost entirely within observational bounds determined by magnetic feature tracking, with the 2D model being able to accommodate the mean observed profile more successfully. Differences between models appear to be important in deciding values for the diffusive and decay terms. In like fashion, differences in the behaviours of different solar cycles lead to contrasts in parameters defining the meridional flow and initial field strength.

  18. 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.

  19. 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.

  20. MISR Level 2 Surface parameters V002

    Data.gov (United States)

    National Aeronautics and Space Administration — This Level 2 Land Surface product contains information on land directional reflectance properties,albedos(spectral & PAR integrated),FPAR,asssociated radiation...

  1. On the spectra and coherence of some surface meteorological parameters in the Arabian Sea

    Digital Repository Service at National Institute of Oceanography (India)

    RameshKumar, M.R.; Fernandes, A.A.

    . In addition to peaks in the annual, semiannual and four-month periodicities, the various surface parameters exhibited some energy at 2, 3 and 4 year cycles. It was also found that most of the surface meteorological parameters were coherent (at 95% confidence...

  2. High Temperature Surface Parameters for Solar Power

    National Research Council Canada - National Science Library

    Butler, C. F; Jenkins, R. J; Rudkin, R. L; Laughridge, F. I

    1960-01-01

    ... at a given distance from the sun. Thermal conversion efficiencies with a concentration ratio of 50 have been computed for each surface when exposed to solar radiation at the Earth's mean orbital radius...

  3. Optimization of surface roughness parameters in dry turning

    OpenAIRE

    R.A. Mahdavinejad; H. Sharifi Bidgoli

    2009-01-01

    Purpose: The precision of machine tools on one hand and the input setup parameters on the other hand, are strongly influenced in main output machining parameters such as stock removal, toll wear ratio and surface roughnes.Design/methodology/approach: There are a lot of input parameters which are effective in the variations of these output parameters. In CNC machines, the optimization of machining process in order to predict surface roughness is very important.Findings: From this point of view...

  4. Variability of surface meteorological parameters over the Arabian Sea

    Digital Repository Service at National Institute of Oceanography (India)

    RameshKumar, M.R.; Fernandes, A.A.

    The trends and periodicities of surface meteorological parameters (sea surface temperature, air temperature, cloudiness, wind speed and sea level pressure) over the western, central, eastern and southern Arabian Sea regions are studied...

  5. Characterization of energy exchange parameters in the Himalayan foothills Pakistan

    Science.gov (United States)

    Khalid, Bushra; Kumar, Mukul; Cholaw, Bueh; Aziz Khan, Junaid; Hayat Khan, Azmat

    2017-04-01

    The characterization of energy exchange parameters for spring season (April-May) has been done for Margalla hills national park (MHNP) Islamabad, Pakistan. It is important because Islamabad city lies in the foothills of Himalayas and micro meteorological activity makes the climate of surrounding areas. The activity on Himalaya's foothills (i.e., Margalla hills) regulate weather and also provide fresh water to the lakes and ponds by late afternoon thunder showers. This research is also important from the perspective of rain water harvesting in Islamabad, Pakistan. The objective of this study is to characterize the energy exchange parameters in the foothills of great Himalayas particularly on MHNP. Landsat ETM+ imageries have been used for calculating the land surface temperature (LST), normalized difference vegetation index (NDVI), and normalized difference moisture index (NDMI). SPOT 5 image has been used for land use/land cover classification over MHNP. The turbulent fluxes have been calculated by computing the values acquired from the processing of satellite imageries and real time observation data sets. The comparisons have been made between the land and atmospheric temperature and moisture to see the difference and its impacts on weather of twin cities i.e., Islamabad and Rawalpindi. The energy exchange parameters have been characterized by analyzing the impacts of weather parameters and turbulent fluxes on MHNP and surrounding cities. The potential rain water harvesting sites have been marked in the foothills. Weather and surface conditions become more favorable for the growth of vegetation by the end of April as the spring season reaches at its peak. There is the start of growing season in the month of April whereas the vegetation becomes thick over time during the month of May over Margalla hills however, the energy exchange parameters follow the same pattern in May as in April. The relative humidity remains between 18 - 55 % and the atmospheric temperature

  6. Physical parameter optimization by Response Surface Methodology ...

    African Journals Online (AJOL)

    Response Surface Methodology (RSM) is an empirical technique involving the use of Design Expert software to derive a predictive model similar to regression analysis. This present study explains the significant application of RSM in optimization of lipase production by Aspergillus niger. The experimental validation of the ...

  7. 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

  8. 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.

  9. 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 ...

  10. 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 ...

  11. 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

  12. A global data set of land-surface parameters

    International Nuclear Information System (INIS)

    Claussen, M.; Lohmann, U.; Roeckner, E.; Schulzweida, U.

    1994-01-01

    A global data set of land surface parameters is provided for the climate model ECHAM developed at the Max-Planck-Institut fuer Meteorologie in Hamburg. These parameters are: background (surface) albedo α, surface roughness length z 0y , leaf area index LAI, fractional vegetation cover or vegetation ratio c y , and forest ratio c F . The global set of surface parameters is constructed by allocating parameters to major exosystem complexes of Olson et al. (1983). The global distribution of ecosystem complexes is given at a resolution of 0.5 0 x 0.5 0 . The latter data are compatible with the vegetation types used in the BIOME model of Prentice et al. (1992) which is a potential candidate of an interactive submodel within a comprehensive model of the climate system. (orig.)

  13. Comparison of energy parameters in various dryers

    International Nuclear Information System (INIS)

    Motevali, Ali; Minaei, Saeid; Banakar, Ahmad; Ghobadian, Barat; Khoshtaghaza, Mohammad Hadi

    2014-01-01

    Highlights: • The amount of SEC and efficiency compared to in seven dryer. • Using the thermal pump in solar dryer have increased efficiency. • Maximum SEC was obtained in vacuum dryer. • Maximum efficiency was obtained microwave dryer. - Abstract: This study aimed at investigating the energy output, thermal output, drying efficiency and specific energy in various drying methods for drying of chamomile. These methods included convective, infrared, convective–infrared, microwave, microwave–convective, microwave–vacuum, vacuum, and hybrid photovoltaic–thermal solar (with/without heat pump). Results of data analysis showed that the highest energy output of 49.99% belonged to the microwave dryer, while the lowest 1.41% belonged to the vacuum dryer. Moreover, the maximum and minimum thermal outputs being 78.22% and 2.68% were associated with the vacuum–microwave and vacuum dryers, respectively. In the hot-air-related dryers, drying efficiency increased with temperature. In microwave-related dryers, however, drying efficiency first increased (up to a microwave power of 300 W) and then decreased with further increase in microwave power. Assessment of the specific energy requirement in various dryers showed that the highest and lowest values belonged to the vacuum and microwave methods with 318.42 and 4.32 MJ/kg w , respectively. Additionally, results of analysis indicated that adding a heat pump to the photovoltaic solar dryer increases drying efficiency, energy output and thermal output, while it reduces the required specific energy

  14. One-parameter family of solitons from minimal surfaces

    Indian Academy of Sciences (India)

    School of Mathematics, Harish Chandra Research Institute, Allahabad 211 019, India. E-mail: rkmn@mri.ernet.in. MS received 29 December 2011; revised 9 February 2012. Abstract. In this paper, we discuss a one parameter family of complex Born–Infeld solitons arising from a one parameter family of minimal surfaces.

  15. One-parameter family of solitons from minimal surfaces

    Indian Academy of Sciences (India)

    In this paper, we discuss a one parameter family of complex Born–Infeld solitons arising from a one parameter family of minimal surfaces. The process enables us to generate a new solution of the B–I equation from a given complex solution of a special type (which are abundant). We illustrate this with many examples.

  16. One-parameter family of solitons from minimal surfaces

    Indian Academy of Sciences (India)

    Abstract. In this paper, we discuss a one parameter family of complex Born–Infeld solitons arising from a one parameter family of minimal surfaces. The process enables us to generate a new solution of the B–I equation from a given complex solution of a special type (which are abundant). We illustrate this with many ...

  17. Comparison Between 2D And 3D Surface Roughness Parameters ...

    African Journals Online (AJOL)

    As part of a research programme, extensive electro discharge machining (EDM) was done so as to generate different spark eroded surfaces. Through surface texture measurements, it has been confirmed that the use of 2D parameters alone is indeed misleading. Thus, in order to comprehensively represent the topography ...

  18. Observations of the atmospheric surface layer parameters over a ...

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    1999-08-11

    Aug 11, 1999 ... This paper discusses the observations of the Atmospheric Surface Layer (ASL) parameters dur- ing the solar eclipse of August 11th, 1999. Intensive surface layer experiments were conducted at. Ahmedabad (23◦21 N, 72◦36 E), the western part of India, which was close to the totality path. This rare event ...

  19. Determining the Effect of Cutting Parameters on Surface Roughness ...

    African Journals Online (AJOL)

    The aim of present research focuses on the prediction of machining parameters that improve the quality of surface finish. The surface roughness is one of the important properties of work piece quality in the CNC (Computer Numerical Control) turning process. An effective approach of optimization techniques genetic ...

  20. Reaction Kinetic Parameters and Surface Thermodynamic Properties of Cu2O Nanocubes

    Directory of Open Access Journals (Sweden)

    Xingxing Li

    2015-07-01

    Full Text Available Cuprous oxide (Cu2O nanocubes were synthesized by reducing Cu(OH2 in the presence of sodium citrate at room temperature. The samples were characterized in detail by field-emission scanning electron microscopy, transmission electron microscopy, high-resolution transmission electron microscopy, X-ray powder diffraction, and N2 absorption (BET specific surface area. The equations for acquiring reaction kinetic parameters and surface thermodynamic properties of Cu2O nanocubes were deduced by establishment of the relations between thermodynamic functions of Cu2O nanocubes and these of the bulk Cu2O. Combined with thermochemical cycle, transition state theory, basic theory of chemical thermodynamics, and in situ microcalorimetry, reaction kinetic parameters, specific surface enthalpy, specific surface Gibbs free energy, and specific surface entropy of Cu2O nanocubes were successfully determined. We also introduced a universal route for gaining reaction kinetic parameters and surface thermodynamic properties of nanomaterials.

  1. Packing parameters effect on injection molding of polypropylene nanostructured surfaces

    DEFF Research Database (Denmark)

    Calaon, Matteo; Tosello, Guido; Hansen, Hans Nørgaard

    2012-01-01

    In today´s industry, applications involving surface patterning of sub-μm to nanometer scale structures have shown a high growth potential. To investigate the injection molding capability of replicating sub-μm surface texture on a large scale area, a 30x80 mm2 tool insert with surface structures...... having a diameter of 500 nm was employed. The tool insert surface was produced using chemical-based-batch techniques such aluminum anodization and nickel electroplating. During the injection molding process, polypropylene (PP) was employed as material and packing phase parameters (packing time, packing...

  2. Reducing surface roughness by optimising the turning parameters

    Directory of Open Access Journals (Sweden)

    Senthil Kumar, K.

    2013-08-01

    Full Text Available Modern manufacturers worldwide look for the cheapest quality-manufactured machined components to compete in the market. Good surface quality is desired for the proper functioning of the parts produced. The surface quality is influenced by the cutting speed, feed rate, depth of cut, and many other parameters. In this paper, the Taguchi method a powerful tool to design optimisation for quality is used to find the optimal machining parameters for the turning operation. An orthogonal array, the signal-to-noise (S/N ratio, and the analysis of variance (ANOVA are employed to investigate the machining characteristics of super duplex stainless steel bars using uncoated carbide cutting tools. The effect of machining parameters on surface roughness was discovered. Confirmation tests were conducted at optimal conditions to compare the experimental results with the predicted values.

  3. Estimation of shape model parameters for 3D surfaces

    DEFF Research Database (Denmark)

    Erbou, Søren Gylling Hemmingsen; Darkner, Sune; Fripp, Jurgen

    2008-01-01

    is applied to a database of 3D surfaces from a section of the porcine pelvic bone extracted from 33 CT scans. A leave-one-out validation shows that the parameters of the first 3 modes of the shape model can be predicted with a mean difference within [-0.01,0.02] from the true mean, with a standard deviation......Statistical shape models are widely used as a compact way of representing shape variation. Fitting a shape model to unseen data enables characterizing the data in terms of the model parameters. In this paper a Gauss-Newton optimization scheme is proposed to estimate shape model parameters of 3D...... surfaces using distance maps, which enables the estimation of model parameters without the requirement of point correspondence. For applications with acquisition limitations such as speed and cost, this formulation enables the fitting of a statistical shape model to arbitrarily sampled data. The method...

  4. Energy Expenditure of Trotting Gait Under Different Gait Parameters

    Science.gov (United States)

    Chen, Xian-Bao; Gao, Feng

    2017-07-01

    Robots driven by batteries are clean, quiet, and can work indoors or in space. However, the battery endurance is a great problem. A new gait parameter design energy saving strategy to extend the working hours of the quadruped robot is proposed. A dynamic model of the robot is established to estimate and analyze the energy expenditures during trotting. Given a trotting speed, optimal stride frequency and stride length can minimize the energy expenditure. However, the relationship between the speed and the optimal gait parameters is nonlinear, which is difficult for practical application. Therefore, a simplified gait parameter design method for energy saving is proposed. A critical trotting speed of the quadruped robot is found and can be used to decide the gait parameters. When the robot is travelling lower than this speed, it is better to keep a constant stride length and change the cycle period. When the robot is travelling higher than this speed, it is better to keep a constant cycle period and change the stride length. Simulations and experiments on the quadruped robot show that by using the proposed gait parameter design approach, the energy expenditure can be reduced by about 54% compared with the 100 mm stride length under 500 mm/s speed. In general, an energy expenditure model based on the gait parameter of the quadruped robot is built and the trotting gait parameters design approach for energy saving is proposed.

  5. Ground level enhancement (GLE) energy spectrum parameters model

    Science.gov (United States)

    Qin, G.; Wu, S.

    2017-12-01

    We study the ground level enhancement (GLE) events in solar cycle 23 with the four energy spectra parameters, the normalization parameter C, low-energy power-law slope γ 1, high-energy power-law slope γ 2, and break energy E0, obtained by Mewaldt et al. 2012 who fit the observations to the double power-law equation. we divide the GLEs into two groups, one with strong acceleration by interplanetary (IP) shocks and another one without strong acceleration according to the condition of solar eruptions. We next fit the four parameters with solar event conditions to get models of the parameters for the two groups of GLEs separately. So that we would establish a model of energy spectrum for GLEs for the future space weather prediction.

  6. Statistics of ductile fracture surfaces: the effect of material parameters

    DEFF Research Database (Denmark)

    Ponson, Laurent; Cao, Yuanyuan; Bouchaud, Elisabeth

    2013-01-01

    distributed. The three dimensional analysis permits modeling of a three dimensional material microstructure and of the resulting three dimensional stress and deformation states that develop in the fracture process region. Material parameters characterizing void nucleation are varied and the statistics......The effect of material parameters on the statistics of fracture surfaces is analyzed under small scale yielding conditions. Three dimensional calculations of ductile crack growth under mode I plane strain, small scale yielding conditions are carried out using an elastic-viscoplastic constitutive...... of the resulting fracture surfaces is investigated. All the fracture surfaces are found to be self-affine over a size range of about two orders of magnitude with a very similar roughness exponent of 0.56 ± 0.03. In contrast, the full statistics of the fracture surfaces is found to be more sensitive to the material...

  7. Study of excitation energy dependence of nuclear level density parameter

    International Nuclear Information System (INIS)

    Mohanto, G.; Nayak, B.K.; Saxena, A.

    2016-01-01

    In the present study, we have populated CN by fusion reaction and excitation energy of the intermediate nuclei is determined after first chance α-emission to investigate excitation energy dependence of the NLD parameter. Evaporated neutron spectra were measured following alpha evaporation for obtaining NLD parameter for the reaction 11 B + 197 Au, populating CN 208 Po. This CN after evaporating an α-particle populates intermediate nucleus 204 Pb. The 204 Pb has magic number of Z=82. Our aim is to study the excitation energy dependence of NLD parameter for closed shell nuclei

  8. 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

  9. 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.

  10. 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.

  11. 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 ...

  12. Observations of the atmospheric surface layer parameters over a ...

    Indian Academy of Sciences (India)

    The spectra of the wind components and temperature indicated decrease in spectral power by one order in magnitude during the eclipse period. The rate of dissipation of turbulent kinetic energy is found to decrease by more than one order during the eclipse period. The stability parameter showed a change from unstable to ...

  13. 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.

  14. Land surface and climate parameters and malaria features in Vietnam

    Science.gov (United States)

    Liou, Y. A.; Anh, N. K.

    2017-12-01

    Land surface parameters may affect local microclimate, which in turn alters the development of mosquito habitats and transmission risks (soil-vegetation-atmosphere-vector borne diseases). Forest malaria is a chromic issue in Southeast Asian countries, in particular, such as Vietnam (in 1991, approximate 2 million cases and 4,646 deaths were reported (https://sites.path.org)). Vietnam has lowlands, sub-tropical high humidity, and dense forests, resulting in wide-scale distribution and high biting rate of mosquitos in Vietnam, becoming a challenging and out of control scenario, especially in Vietnamese Central Highland region. It is known that Vietnam's economy mainly relies on agriculture and malaria is commonly associated with poverty. There is a strong demand to investigate the relationship between land surface parameters (land cover, soil moisture, land surface temperature, etc.) and climatic variables (precipitation, humidity, evapotranspiration, etc.) in association with malaria distribution. GIS and remote sensing have been proven their powerful potentials in supporting environmental and health studies. The objective of this study aims to analyze physical attributes of land surface and climate parameters and their links with malaria features. The outcomes are expected to illustrate how remotely sensed data has been utilized in geohealth applications, surveillance, and health risk mapping. In addition, a platform with promising possibilities of allowing disease early-warning systems with citizen participation will be proposed.

  15. 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

  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. Luminescence model with quantum impact parameter for low energy ions

    CERN Document Server

    Cruz-Galindo, H S; Martínez-Davalos, A; Belmont-Moreno, E; Galindo, S

    2002-01-01

    We have modified an analytical model of induced light production by energetic ions interacting in scintillating materials. The original model is based on the distribution of energy deposited by secondary electrons produced along the ion's track. The range of scattered electrons, and thus the energy distribution, depends on a classical impact parameter between the electron and the ion's track. The only adjustable parameter of the model is the quenching density rho sub q. The modification here presented, consists in proposing a quantum impact parameter that leads to a better fit of the model to the experimental data at low incident ion energies. The light output response of CsI(Tl) detectors to low energy ions (<3 MeV/A) is fitted with the modified model and comparison is made to the original model.

  18. Impact of Oscillation Parameters on Surface Quality of Cast Billets

    Directory of Open Access Journals (Sweden)

    Cibulka J.

    2016-03-01

    Full Text Available The paper is focused on impact of different oscillation parameters on surface quality of peritectic steel grades cast into billets 150x150 mm. Hydraulic oscillation used for this purpose was temporarily installed on one strand of the billet caster. Hydraulic oscillation enables, in comparison to ordinary used electromechanical oscillation, flexible set-up of basic parameters of the oscillation cycle (negative strip time and its ratio. Proper oscillation mode is capable to assure regular oscillation marks development, good lubrication in the mould and adequate compression of the solidifying shell. Impact of an oscillation mode providing negative strip time 0.085 s and its ratio -50 % on surface quality of cast billets is compared with standard oscillation mode applied on strands equipped with electromechanical oscillation characterized with variable negative strip time between 0.084 and 0.096 s and fixed negative strip ratio to -14 %.

  19. Surface brightness parameters as tests of galactic evolution

    International Nuclear Information System (INIS)

    Tinsley, B.M.

    1976-01-01

    It is shown that surface brightness parameters defined in terms of an isophotal radius are insensitive to galactic evolution, because the effects of luminosity evolution on the flux and isophotal radius almost cancel each other. Surface brightness parameters defined in terms of a metric radius are able to give fairly direct information on evolution, but only if the metric scale of each galaxy in the sample is determined by photometry of the galaxy itself. If, instead, a metric radius is estimated by means of a fiducial value of q 0 , the brightness-redshift relation yields only a function of both evoluting and the unknown cosmological model, which is very similar to the function obtained from the Hubble diagram

  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. Effect of surface parameter of interband surface mode frequencies of finite diatomic chain

    International Nuclear Information System (INIS)

    Puszkarski, H.

    1982-07-01

    The surface modes of a finite diatomic chain of alternating atoms (M 1 not= M 2 ) are investigated. The surface force constants are assumed to differ from the bulk ones, with the resulting surface parameter a-tilde identical on both ends of the chain. Criteria, governing the existence of interband surface (IBS) modes with frequencies lying in the forbidden gap between acoustical and optical bulk bands for natural (a = 1) as well as non-natural (a not= 1) surface defect, are analysed by the difference equation method. It is found that the IBS modes localize, depending on the value of the surface parameter a, either at the surface of lighter atoms (if a-tilde is positive), or at that of heavier atoms (if a-tilde is negative). Two, one of no IBS modes are found to exist in the chain depending on the relation between the mass ratio and surface parameter - quantities on which the surface localization increment t-tilde depends. If two modes are present (one acoustical and the other optical), their frequencies are disposed symmetrically with respect to the middle of the forbidden gap, provided the surface defect is natural, or asymmetrically - if it is other than natural. If the localization of the IBS mode exceeds a well defined critical value tsub(c), the mode frequency becomes complex, indicating that the mode undergoes a damping. A comparison of the present results and those obtained by Wallis for the diatomic chain with natural surface defect is also given. (author)

  2. Design parameters for measurements of local catalytic activity on surfaces

    DEFF Research Database (Denmark)

    Johansson, Martin; Johannessen, Tue; Jørgensen, Jan Hoffmann

    2006-01-01

    Computational fluid dynamics in combination with experiments is used to characterize a gas sampling device for measurements of the local catalytic activity on surfaces. The device basically consists of a quartz capillary mounted concentrically inside an aluminum tube. Reactant gas is blown toward...... the catalytic surface through the annulus between the tubes, and the gas is sampled close to the surface by the capillary. The influence of various design parameters on the lateral resolution and sensitivity of the measurements is investigated. It is found that the cuter diameter of the annulus sets the upper......, the limits of the range in reaction rate, which can be Studied are estimated. (c) 2005 Elsevier B.V. All rights reserved....

  3. 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.

  4. Estimation of the solubility parameters of model plant surfaces and agrochemicals: a valuable tool for understanding plant surface interactions.

    Science.gov (United States)

    Khayet, Mohamed; Fernández, Victoria

    2012-11-14

    Most aerial plant parts are covered with a hydrophobic lipid-rich cuticle, which is the interface between the plant organs and the surrounding environment. Plant surfaces may have a high degree of hydrophobicity because of the combined effects of surface chemistry and roughness. The physical and chemical complexity of the plant cuticle limits the development of models that explain its internal structure and interactions with surface-applied agrochemicals. In this article we introduce a thermodynamic method for estimating the solubilities of model plant surface constituents and relating them to the effects of agrochemicals. Following the van Krevelen and Hoftyzer method, we calculated the solubility parameters of three model plant species and eight compounds that differ in hydrophobicity and polarity. In addition, intact tissues were examined by scanning electron microscopy and the surface free energy, polarity, solubility parameter and work of adhesion of each were calculated from contact angle measurements of three liquids with different polarities. By comparing the affinities between plant surface constituents and agrochemicals derived from (a) theoretical calculations and (b) contact angle measurements we were able to distinguish the physical effect of surface roughness from the effect of the chemical nature of the epicuticular waxes. A solubility parameter model for plant surfaces is proposed on the basis of an increasing gradient from the cuticular surface towards the underlying cell wall. The procedure enabled us to predict the interactions among agrochemicals, plant surfaces, and cuticular and cell wall components, and promises to be a useful tool for improving our understanding of biological surface interactions.

  5. Estimation of the solubility parameters of model plant surfaces and agrochemicals: a valuable tool for understanding plant surface interactions

    Science.gov (United States)

    2012-01-01

    Background Most aerial plant parts are covered with a hydrophobic lipid-rich cuticle, which is the interface between the plant organs and the surrounding environment. Plant surfaces may have a high degree of hydrophobicity because of the combined effects of surface chemistry and roughness. The physical and chemical complexity of the plant cuticle limits the development of models that explain its internal structure and interactions with surface-applied agrochemicals. In this article we introduce a thermodynamic method for estimating the solubilities of model plant surface constituents and relating them to the effects of agrochemicals. Results Following the van Krevelen and Hoftyzer method, we calculated the solubility parameters of three model plant species and eight compounds that differ in hydrophobicity and polarity. In addition, intact tissues were examined by scanning electron microscopy and the surface free energy, polarity, solubility parameter and work of adhesion of each were calculated from contact angle measurements of three liquids with different polarities. By comparing the affinities between plant surface constituents and agrochemicals derived from (a) theoretical calculations and (b) contact angle measurements we were able to distinguish the physical effect of surface roughness from the effect of the chemical nature of the epicuticular waxes. A solubility parameter model for plant surfaces is proposed on the basis of an increasing gradient from the cuticular surface towards the underlying cell wall. Conclusions The procedure enabled us to predict the interactions among agrochemicals, plant surfaces, and cuticular and cell wall components, and promises to be a useful tool for improving our understanding of biological surface interactions. PMID:23151272

  6. Partial compensation interferometry for measurement of surface parameter error of high-order aspheric surfaces

    Science.gov (United States)

    Hao, Qun; Li, Tengfei; Hu, Yao

    2018-01-01

    Surface parameters are the properties to describe the shape characters of aspheric surface, which mainly include vertex radius of curvature (VROC) and conic constant (CC). The VROC affects the basic properties, such as focal length of an aspheric surface, while the CC is the basis of classification for aspheric surface. The deviations of the two parameters are defined as surface parameter error (SPE). Precisely measuring SPE is critical for manufacturing and aligning aspheric surface. Generally, SPE of aspheric surface is measured directly by curvature fitting on the absolute profile measurement data from contact or non-contact testing. And most interferometry-based methods adopt null compensators or null computer-generated holograms to measure SPE. To our knowledge, there is no effective way to measure SPE of highorder aspheric surface with non-null interferometry. In this paper, based on the theory of slope asphericity and the best compensation distance (BCD) established in our previous work, we propose a SPE measurement method for high-order aspheric surface in partial compensation interferometry (PCI) system. In the procedure, firstly, we establish the system of two element equations by utilizing the SPE-caused BCD change and surface shape change. Then, we can simultaneously obtain the VROC error and CC error in PCI system by solving the equations. Simulations are made to verify the method, and the results show a high relative accuracy.

  7. 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 ...

  8. 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.

  9. 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.

  10. Effects of XPS operational parameters on investigated sample surfaces

    International Nuclear Information System (INIS)

    Mrad, O.; Ismail, I.

    2013-04-01

    In this work, we studied the effects of the operating conditions of the xray photoelectron spectroscopy analysis technique (XPS) on the investigated samples. Firstly, the performances of the whole system have been verified as well as the accuracy of the analysis. Afterwards, the problem of the analysis of insulating samples caused by the charge buildup on the surface has been studied. The use of low-energy electron beam (<100 eV) to compensate the surface charge has been applied. The effect of X-ray on the samples have been assessed and was found to be nondestructive within the analysis time. The effect of low- and high-energy electron beams on the sample surface have been investigated. Highenergy electrons were found to have destructive effect on organic samples. The sample heating procedure has been tested and its effect on the chemical stat of the surface was followed. Finally, the ion source was used to determine the elements distribution and the chemical stat of different depths of the sample. A method has been proposed to determine these depths (author).

  11. Identification of parameters for embodied energy measurement: A literature review

    Energy Technology Data Exchange (ETDEWEB)

    Dixit, Manish Kumar; Fernandez-Solis, Jose L.; Lavy, Sarel; Culp, Charles H. [College of Architecture, Texas A and M University, 3137 TAMU, College Station, TX 77843-3137 (United States)

    2010-08-15

    The building construction industry consumes a large amount of resources and energy and, owing to current global population growth trends, this situation is projected to deteriorate in the near future. Buildings consume approximately 40 percent of total global energy: during the construction phase in the form of embodied energy and during the operation phase as operating energy. Embodied energy is expended in the processes of building material production (mining and manufacture), on-site delivery, construction and assembly on-site, renovation and final demolition. Recent studies have considered the significance of embodied energy inherent in building materials, with a specific focus on this fraction of sequestered energy. Current interpretations of embodied energy are quite unclear and vary greatly, and embodied energy databases suffer from problems of variation and incomparability. Furthermore, there is no reliable template, standard or protocol regarding embodied energy computations that could address these problems in embodied energy inventories. This paper focuses on the analysis of existing literature in order to identify differing parameters so that development of a consistent and comparable database can be facilitated. (author)

  12. 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.

  13. 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.

  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. The role of urban form as an energy management parameter

    International Nuclear Information System (INIS)

    Futcher, Julie Ann; Mills, Gerald

    2013-01-01

    Urban areas are recognised to be significant global energy consumers, and therefore high CO 2 emitters, making energy management at urban scales a relevant research focus. However, one of the main obstacles faced with upgrading existing urban systems to meet target energy reductions is the current rate of refurbishment and new build, where it is estimated that 75% of existing buildings will still be in place by 2050. Moreover limited renewable resources and predicted warming trends place further limitations on policies aimed at carbon management. This paper examines current thinking around energy management associated with building operational and regulated loads and the role of urban form. Its focus is on cooling loads for office buildings in central London and offers a new perspective on energy management at an urban scale by demonstrating (within the 25% redevelopment rate) that when building energy management is considered within an urban context, the overall performance of an urban system can be significantly improved. The work highlights the often overlooked role of urban form on building energy performance (both individually and in combination) and demonstrates that as we move towards a low energy future; the role of urban form becomes increasing significant. - Highlight: ► The work reports on the energy performance patterns of modern office building groups. ► Mutual shading from adjacent buildings significantly lowers cooling loads. ► Demonstrates the role of urban form as an urban energy management parameter.

  16. Parameter uncertainties in the design and optimization of cantilever piezoelectric energy harvesters

    Science.gov (United States)

    Franco, V. R.; Varoto, P. S.

    2017-09-01

    A crucial issue in piezoelectric energy harvesting is the efficiency of the mechanical to electrical conversion process. Several techniques have been investigated in order to obtain a set of optimum design parameters that will lead to the best performance of the harvester in terms of electrical power generation. Once an optimum design is reached it is also important to consider uncertainties in the selected parameters that in turn can lead to loss of performance in the energy conversion process. The main goal of this paper is to perform a comprehensive discussion of the effects of multi-parameter aleatory uncertainties on the performance and design optimization of a given energy harvesting system. For that, a typical energy harvester consisting of a cantilever beam carrying a tip mass and partially covered by piezoelectric layers on top and bottom surfaces is considered. A distributed parameter electromechanical modal of the harvesting system is formulated and validated through experimental tests. First, the SQP (Sequential Quadratic Planning) optimization is employed to obtain an optimum set of parameters that will lead to best performance of the harvester. Second, once the optimum harvester configuration is found random perturbations are introduced in the key parameters and Monte Carlo simulations are performed to investigate how these uncertainties propagate and affect the performance of the device studied. Numerically simulated results indicate that small variations in some design parameters can cause a significant variation in the output electrical power, what strongly suggests that uncertainties must be accounted for in the design of beam energy harvesting systems.

  17. Symmetry-adapted order parameters and free energies for solids undergoing order-disorder phase transitions

    Science.gov (United States)

    Natarajan, Anirudh Raju; Thomas, John C.; Puchala, Brian; Van der Ven, Anton

    2017-10-01

    Accurate thermodynamic descriptions are a key ingredient to kinetic theories that describe the mesoscale evolution of a solid undergoing ordering or decomposition reactions. We introduce a general approach to identify order parameters for order-disorder reactions and to calculate first-principles free-energy surfaces as a function of these order parameters. The symmetry of the disordered phase is used to formulate order parameters as linear combinations of sublattice compositions of a reference supercell. The order parameters can distinguish the disordered phase from the symmetrically equivalent variants of a particular ordered phase. A thermodynamic formalism is then developed to rigorously define a coarse-grained free energy as a function of order parameters. Bias potentials are added to the potential energy to enable sampling of the unstable regions within the order-parameter domain. Monte Carlo sampling in the biased ensemble is combined with free-energy integration to calculate high-temperature free energies. We illustrate the approach by analyzing the free energies of order-disorder transitions on a two-dimensional triangular lattice and in the technologically important Ni-Al alloy.

  18. Optimization of Experimental Model Parameter Identification for Energy Storage Systems

    Directory of Open Access Journals (Sweden)

    Rosario Morello

    2013-09-01

    Full Text Available The smart grid approach is envisioned to take advantage of all available modern technologies in transforming the current power system to provide benefits to all stakeholders in the fields of efficient energy utilisation and of wide integration of renewable sources. Energy storage systems could help to solve some issues that stem from renewable energy usage in terms of stabilizing the intermittent energy production, power quality and power peak mitigation. With the integration of energy storage systems into the smart grids, their accurate modeling becomes a necessity, in order to gain robust real-time control on the network, in terms of stability and energy supply forecasting. In this framework, this paper proposes a procedure to identify the values of the battery model parameters in order to best fit experimental data and integrate it, along with models of energy sources and electrical loads, in a complete framework which represents a real time smart grid management system. The proposed method is based on a hybrid optimisation technique, which makes combined use of a stochastic and a deterministic algorithm, with low computational burden and can therefore be repeated over time in order to account for parameter variations due to the battery’s age and usage.

  19. 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 ...

  20. 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...

  1. Energy status parameters, hypoxia fraction and radiocurability across tumor types

    International Nuclear Information System (INIS)

    Gerweck, L.E.; Koutcher, J.; Zaidi, S.T.

    1995-01-01

    Under full nutrient in vitro conditions, the cellular adenylate energy charge of six different rodent and human tumor cell types was identical, i.e., 0.94 ± 0.01, suggesting the potential utility of this parameter as a cell (and tissue) independent marker of nutrient deprivation and hypoxia, across tumor types. The adenylate energy charge values of tumors, arising from these cells, was reduced and variable ranging from 0.72 to 0.91 for the various tumor types. However, neither the tumor adenylate energy charge, NTP/Pi, nor PCr/Pi ratios correlated with the radiobiologic hypoxic cell fractions across tumor types. The reduced adenylate energy charge in vivo suggests varying degrees of nutrient deprivation in the different tumor types, however, factors other than or in addition to hypoxia likely contribute to tumor energy status. (orig.)

  2. 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.

  3. Surface quality of human corneal lenticules after femtosecond laser surgery for myopia comparing different laser parameters.

    Science.gov (United States)

    Kunert, Kathleen S; Blum, Marcus; Duncker, Gernot I W; Sietmann, Rabea; Heichel, Jens

    2011-09-01

    To determine the surface characteristics of human corneal lenticules after femtosecond laser surgery for myopia. The Carl Zeiss Meditec AG VisuMax® femtosecond laser system was used for refractive correction called Femtosecond Lenticule Extraction on 24 myopic eyes. The surface regularity on the refractive corneal lenticules recovered was evaluated by assessing scanning electron microscopy images using an established scoring system. Three different energy levels 150, 180, and 195 nJ were compared (n = 8 in each group). Surface irregularities were caused by tissue bridges, cavitation bubbles, or scratches. The surface regularity index (R(2) = 0.74) decreased as pulse energy increased. The average surface regularity score obtained was 7.5 for 150 nJ, 7.25 for 180 nJ, and 6.25 for 195 nJ. The human corneal lenticules created with the VisuMax® femtosecond laser system are of predictable, good-quality surface. This study shows the influence of pulse energy on surface regularity in human eyes. Further studies should focus on optimization of laser parameters as well as surgical technique to improve the regularity of the corneal stromal bed and so make the advantages of the femtosecond laser technology over conventional techniques clearer in the future.

  4. Optimization of vibratory welding process parameters using response surface methodology

    Energy Technology Data Exchange (ETDEWEB)

    Singh, Pravin Kumar; Kumar, S. Deepak; Patel, D.; Prasad, S. B. [National Institute of Technology Jamshedpur, Jharkhand (India)

    2017-05-15

    The current investigation was carried out to study the effect of vibratory welding technique on mechanical properties of 6 mm thick butt welded mild steel plates. A new concept of vibratory welding technique has been designed and developed which is capable to transfer vibrations, having resonance frequency of 300 Hz, into the molten weld pool before it solidifies during the Shielded metal arc welding (SMAW) process. The important process parameters of vibratory welding technique namely welding current, welding speed and frequency of the vibrations induced in molten weld pool were optimized using Taguchi’s analysis and Response surface methodology (RSM). The effect of process parameters on tensile strength and hardness were evaluated using optimization techniques. Applying RSM, the effect of vibratory welding parameters on tensile strength and hardness were obtained through two separate regression equations. Results showed that, the most influencing factor for the desired tensile strength and hardness is frequency at its resonance value, i.e. 300 Hz. The micro-hardness and microstructures of the vibratory welded joints were studied in detail and compared with those of conventional SMAW joints. Comparatively, uniform and fine grain structure has been found in vibratory welded joints.

  5. 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.

  6. Teknik Reduksi Energi pada Perancangan Data Logger Parameter Matahari

    Directory of Open Access Journals (Sweden)

    M. Ikhsan

    2014-04-01

    Full Text Available The research discusses about the energy saving techniques in the design of data logger devices based on AVR microcontroller for monitoring parameters of the air temperature and sunlight intensity in the visible light spectrum. These energy reduction techniques include hardware aspects such as the use of the minimum system, peripherals power supply control and software such as sleep-mode. When the intensity of sun light increases, the interrupt pin will activate the system, otherwise the system is in a state of sleep-mode. The electrical energy consumption of the data logger is continuously observed and recorded on an external memory (SD card in real-time as so the 24 hours energy consumption can be known and the long-term-used energy can be predicted. Based on the results of measurements and calculations it is known that it takes energy of 8.23 Wh to turn the data logger for 24hours. With this reduction technique, the data logger energy consumption can be reduced by 68.5%.Keywords: data logger, energy saving, sun, sleep mode, interrupt

  7. 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

  8. Controlling Morphological Parameters of Anodized Titania Nanotubes for Optimized Solar Energy Applications

    Directory of Open Access Journals (Sweden)

    Michael Hu

    2012-10-01

    Full Text Available Anodized TiO2 nanotubes have received much attention for their use in solar energy applications including water oxidation cells and hybrid solar cells [dye-sensitized solar cells (DSSCs and bulk heterojuntion solar cells (BHJs]. High surface area allows for increased dye-adsorption and photon absorption. Titania nanotubes grown by anodization of titanium in fluoride-containing electrolytes are aligned perpendicular to the substrate surface, reducing the electron diffusion path to the external circuit in solar cells. The nanotube morphology can be optimized for the various applications by adjusting the anodization parameters but the optimum crystallinity of the nanotube arrays remains to be realized. In addition to morphology and crystallinity, the method of device fabrication significantly affects photon and electron dynamics and its energy conversion efficiency. This paper provides the state-of-the-art knowledge to achieve experimental tailoring of morphological parameters including nanotube diameter, length, wall thickness, array surface smoothness, and annealing of nanotube arrays.

  9. Effects of major parameters on micro-combustion for thermophotovoltaic energy conversion

    International Nuclear Information System (INIS)

    Pan, J.F.; Huang, J.; Li, D.T.; Yang, W.M.; Tang, W.X.; Xue, H.

    2007-01-01

    For a micro-thermophotovoltaic (TPV) energy conversion device, high surface to volume ratio in the micro-combustor provides a great potential to achieve high surface radiation power output per unit energy input. This work investigated experimentally the effects of three major parameters on micro-combustion, namely hydrogen to oxygen mixing ratio, nozzle to combustor diameter ratio, and wall thickness to combustor diameter ratio. The results show that the high average wall temperature can be achieved at slightly oxygen rich mixing ratios. Nozzle to combustor diameter ratio affects both the magnitude and uniformity of wall temperature distribution. The newly designed thin wall combustor which yields a reduction of axial heat conduction loss is able to increase wall temperature more than 150 K. Optimized design of these parameters will have significant impact on the enhancement of radiation heat output in micro-TPV energy conversion

  10. FURSMASA: a new approach to rapid scoring functions that uses a MD-averaged potential energy grid and a solvent-accessible surface area term with parameters GA fit to experimental data.

    Science.gov (United States)

    Pearlman, David A; Rao, B Govinda; Charifson, Paul

    2008-05-15

    We demonstrate a new approach to the development of scoring functions through the formulation and parameterization of a new function, which can be used both for rapidly ranking the binding of ligands to proteins and for estimating relative aqueous molecular solubilities. The intent of this work is to introduce a new paradigm for creation of scoring functions, wherein we impose the following criteria upon the function: (1) simple; (2) intuitive; (3) requires no postparameterization tweaking; (4) can be applied (without reparameterization) to multiple target systems; and (5) can be rapidly evaluated for any potential ligand. Following these criteria, a new function, FURSMASA (function for rapid scoring using an MD-averaged grid and the accessible surface area) has been developed. Three novel features of the function include: (1) use of an MD-averaged potential energy grid for ligand-protein interactions, rather than a simple static grid; (2) inclusion of a term that depends on the change in the solvent-accessible surface area changes on an atomic (not molecular) basis; and (3) use of the recently derived predictive index (PI) target when optimizing the function, which focuses the function on its intended purpose of relative ranking. A genetic algorithm is used to optimize the function against test data sets that include ligands for the following proteins: IMPDH, p38, gyrase B, HIV-1, and TACE, as well as the Syracuse Research solubility database. We find that the function is predictive, and can simultaneously fit all the test data sets with cross-validated predictive indices ranging from 0.68 to 0.82. As a test of the ability of this function to predict binding for systems not in the training set, the resulting fitted FURSAMA function is then applied to 23 ligands of the COX-2 enzyme. Comparing the results for COX-2 against those obtained using a variety of well-known rapid scoring functions demonstrates that FURSMASA outperforms all of them in terms of the PI and

  11. 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

  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. Convergence of surface diffusion parameters with model crystal size

    Science.gov (United States)

    Cohen, Jennifer M.; Voter, Arthur F.

    1994-07-01

    A study of the variation in the calculated quantities for adatom diffusion with respect to the size of the model crystal is presented. The reported quantities include surface diffusion barrier heights, pre-exponential factors, and dynamical correction factors. Embedded atom method (EAM) potentials were used throughout this effort. Both the layer size and the depth of the crystal were found to influence the values of the Arrhenius factors significantly. In particular, exchange type mechanisms required a significantly larger model than standard hopping mechanisms to determine adatom diffusion barriers of equivalent accuracy. The dynamical events that govern the corrections to transition state theory (TST) did not appear to be as sensitive to crystal depth. Suitable criteria for the convergence of the diffusion parameters with regard to the rate properties are illustrated.

  15. 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.

  16. 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.

  17. [Backscattering Characteristics of Machining Surfaces and Retrieval of Surface Multi-Parameters].

    Science.gov (United States)

    Tao, Hui-rong; Zhang, Fu-min; Qu, Xing-hua

    2015-07-01

    For no cooperation target laser ranging, the backscattering properties of the long-range and real machined surfaces are uncertain which seriously affect the ranging accuracy. It is an important bottleneck restricting the development of no cooperation ranging technology. In this paper, the backscattering characteristics of three typical machining surfaces (vertidal milling processing method, horizontal milling processing method and plain grinding processing method) under the infrared laser irradiation with 1550 nm were measured. The relation between the surface nachining texture, incident azimuth, roughness and the backscattering distribution were analyzed and the reasons for different processing methods specific backscattering field formed were explored. The experimental results show that the distribution of backscattering spectra is greatly affected by the machined processing methods. Incident angle and roughness have regularity effect on the actual rough surface of each mode. To be able to get enough backscattering, knowing the surface texture direction and the roughness of machined metal is essential for the optimization of the non-contact measurement program in industry. On this basis, a method based on an artificial neural network (ANN) and genetic algorithm (GA), is proposed to retrieve the surface multi-parameters of the machined metal. The generalized regression neural network (GRNN) was investigated and used in this application for the backscattering modeling. A genetic algorithm was used to retrieve the multi-parameters of incident azimuth angle, roughness and processing methods of machined metal sur face. Another processing method of sample (planer processing method) was used to validate data. The final results demonstrated that the method presented was efficient in parameters retrieval tasks. This model can accurately distinguish processing methods and the relative error of incident azimuth and roughness is 1.21% and 1.03%, respectively. The inversion

  18. Energy dependence of radiation interaction parameters of some organic compounds

    Science.gov (United States)

    Singh, Mohinder; Tondon, Akash; Sandhu, B. S.; Singh, Bhajan

    2018-04-01

    Gamma rays interact with a material through photoelectric absorption, Compton scattering, Rayleigh scattering and Pair production in the intermediate energy range. The probability of occurrence of a particular type of process depends on the energy of incident gamma rays, atomic number of the material, scattering angle and geometrical conditions. Various radiological parameters for organic compounds, namely ethylene glycol (C2H6O2), propylene glycol (C3H8O2), glycerin (C3H8O3), isoamyl alcohol (C5H12O), butanone (C4H8O), acetophenone (C8H8O2), cyclohexanone (C6H10O), furfural (C5H4O2), benzaldehyde (C7H6O), cinnamaldehyde (C9H8O), glutaraldehyde (C5H8O2), aniline (C6H7N), benzyl amine (C6H7N), nitrobenzene (C6H5NO2), ethyl benzene (C8H10), ethyl formate (C3H6O2) and water (H2O) are presented at 81, 122, 356 and 511 keV energies employing NaI(Tl) scintillation detector in narrow-beam transmission geometry. The radiation interaction parameters such as mass attenuation, molar extinction and mass energy absorption coefficients, half value layer, total atomic and effective electronic cross-sections and CT number have been evaluated for these organic compounds. The general trend of values of mass attenuation coefficients, half value layer, molar extinction coefficients, total atomic and effective electronic cross-sections and mass energy absorption coefficients shows a decrease with increase in incident gamma photon energy. The values of CT number are found to increases linearly with increase of effective atomic number (Zeff). The variation in CT number around Zeff ≈ 3.3 shows the peak like structure with respect to water and the correlation between CT number and linear attenuation coefficient is about 0.99. Appropriate equations are fitted to these experimentally determined parameters for the organic compounds at incident photon energy ranging from 81 keV to 511 keV used in the present study. Experimental values are compared with the theoretical data obtained using Win

  19. The apparent effect of sample surface damage on the dielectric parameters of GaAs

    Energy Technology Data Exchange (ETDEWEB)

    Engelbrecht, J.A.A. [Physics Department, Nelson Mandela Metropolitan University, P.O. Box 77000, Port Elizabeth 6031 (South Africa)], E-mail: Japie.Engelbrecht@nmmu.ac.za; Hashe, N.G. [Physics Department, Nelson Mandela Metropolitan University, P.O. Box 77000, Port Elizabeth 6031 (South Africa); Hillie, K.T. [CSIR-NML Laboratory, P.O. Box 395, Pretoria 0001 (South Africa); Claassens, C.H. [Physics Department, University of the Free State, Bloemfontein 9300 (South Africa)

    2007-12-15

    The dielectric and optical parameters determined by infrared reflectance spectroscopy and computer simulation of a set of GaAs substrates of various surface topologies are reported. The influence of surface damage on the parameters is noted.

  20. The apparent effect of sample surface damage on the dielectric parameters of GaAs

    International Nuclear Information System (INIS)

    Engelbrecht, J.A.A.; Hashe, N.G.; Hillie, K.T.; Claassens, C.H.

    2007-01-01

    The dielectric and optical parameters determined by infrared reflectance spectroscopy and computer simulation of a set of GaAs substrates of various surface topologies are reported. The influence of surface damage on the parameters is noted

  1. Order parameters for the high-energy spectra of pulsars

    Science.gov (United States)

    Torres, Diego F.

    2018-03-01

    Neutron stars are a common compact endpoint of the life of stars. Magnetized and rotating neutron stars emit beams of radiation, which can only be seen when the observer and the beam stand aligned. Periodic recurrence of such alignment gives rise to pulsations and to the name `pulsar' for the star itself. We present a physical model for the non-thermal emission of pulsars. With just four physical parameters, we fit the spectra of the γ- and X-ray pulsars across seven orders of magnitude in energy. We find that all detections can be encompassed in a continuous variation of the model parameters. The model explains the appearance of sub-exponential cutoffs at high energies as a natural consequence of synchro-curvature-dominated losses, unveiling that curvature-only emission plays a less significant role—if any—in the spectrum of most pulsars. The model also explains the flattening of the X-ray spectra at soft energies as a result of propagating particles being subject to synchrotron losses all along their trajectories. Using this model, we analyse how observations in γ-rays can predict the detectability of the pulsar in X-rays, and vice versa.

  2. Parameter studies on the energy balance closure problem using large-eddy simulation

    Science.gov (United States)

    De Roo, Frederik; Banerjee, Tirtha; Mauder, Matthias

    2017-04-01

    The imbalance of the surface energy budget in eddy-covariance measurements is still a pending problem. A possible cause is the presence of land surface heterogeneity. Heterogeneities of the boundary layer scale or larger are most effective in influencing the boundary layer turbulence, and large-eddy simulations have shown that secondary circulations within the boundary layer can affect the surface energy budget. However, the precise influence of the surface characteristics on the energy imbalance and its partitioning is still unknown. To investigate the influence of surface variables on all the components of the flux budget under convective conditions, we set up a systematic parameter study by means of large-eddy simulation. For the study we use a virtual control volume approach, and we focus on idealized heterogeneity by considering spatially variable surface fluxes. The surface fluxes vary locally in intensity and these patches have different length scales. The main focus lies on heterogeneities of length scales of the kilometer scale and one decade smaller. For each simulation, virtual measurement towers are positioned at functionally different positions. We discriminate between the locally homogeneous towers, located within land use patches, with respect to the more heterogeneous towers, and find, among others, that the flux-divergence and the advection are strongly linearly related within each class. Furthermore, we seek correlators for the energy balance ratio and the energy residual in the simulations. Besides the expected correlation with measurable atmospheric quantities such as the friction velocity, boundary-layer depth and temperature and moisture gradients, we have also found an unexpected correlation with the temperature difference between sonic temperature and surface temperature. In additional simulations with a large number of virtual towers, we investigate higher order correlations, which can be linked to secondary circulations. In a companion

  3. Effects of morphology parameters on anti-icing performance in superhydrophobic surfaces

    Science.gov (United States)

    Nguyen, Thanh-Binh; Park, Seungchul; Lim, Hyuneui

    2018-03-01

    In this paper, we report the contributions of actual ice-substrate contact area and nanopillar height to passive anti-icing performance in terms of adhesion force and freezing time. Well-textured nanopillars with various parameters were fabricated via colloidal lithography and a dry etching process. The nanostructured quartz surface was coated with low-energy material to confer water-repellent properties. These superhydrophobic surfaces were investigated to determine the parameters essential for reducing adhesion strength and delaying freezing time. A well-textured surface with nanopillars of very small top diameter, regardless of height, could reduce adhesion force and delay freezing time in a subsequent de-icing process. Small top diameters of nanopillars also ensured the metastable Cassie-Baxter state based on energy barrier calculations. The results demonstrated the important role of areal fraction in anti-icing efficiency, and the negligible contribution of texture height. This insight into icing phenomena should lead to design of improved ice-phobic surfaces in the future.

  4. 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.

  5. 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.

  6. 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.

  7. Energy parameter estimation in solar powered wireless sensor networks

    KAUST Repository

    Mousa, Mustafa

    2014-02-24

    The operation of solar powered wireless sensor networks is associated with numerous challenges. One of the main challenges is the high variability of solar power input and battery capacity, due to factors such as weather, humidity, dust and temperature. In this article, we propose a set of tools that can be implemented onboard high power wireless sensor networks to estimate the battery condition and capacity as well as solar power availability. These parameters are very important to optimize sensing and communications operations and maximize the reliability of the complete system. Experimental results show that the performance of typical Lithium Ion batteries severely degrades outdoors in a matter of weeks or months, and that the availability of solar energy in an urban solar powered wireless sensor network is highly variable, which underlines the need for such power and energy estimation algorithms.

  8. 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)

  9. Multi-Parameter Analysis of Surface Finish in Electro-Discharge Machining of Tool Steels

    Directory of Open Access Journals (Sweden)

    Cornelia Victoria Anghel

    2006-10-01

    Full Text Available The paper presents a multi- parameter analysis of surface finish imparted to tool-steel plates by electro-discharge machining (EDM is presented. The interrelationship between surface texture parameters and process parameters is emphasized. An increased number of parameters is studied including amplitude, spacing, hybrid and fractal parameters,, as well. The correlation of these parameters with the machining conditions is investigated. Observed characteristics become more pronounced, when intensifying machining conditions. Close correlation exists between certain surface finish parameters and EDM input variables and single and multiple statistical regression models are developed.

  10. Exploring parameter constraints on quintessential dark energy: The exponential model

    International Nuclear Information System (INIS)

    Bozek, Brandon; Abrahamse, Augusta; Albrecht, Andreas; Barnard, Michael

    2008-01-01

    We present an analysis of a scalar field model of dark energy with an exponential potential using the Dark Energy Task Force (DETF) simulated data models. Using Markov Chain Monte Carlo sampling techniques we examine the ability of each simulated data set to constrain the parameter space of the exponential potential for data sets based on a cosmological constant and a specific exponential scalar field model. We compare our results with the constraining power calculated by the DETF using their 'w 0 -w a ' parametrization of the dark energy. We find that respective increases in constraining power from one stage to the next produced by our analysis give results consistent with DETF results. To further investigate the potential impact of future experiments, we also generate simulated data for an exponential model background cosmology which cannot be distinguished from a cosmological constant at DETF 'Stage 2', and show that for this cosmology good DETF Stage 4 data would exclude a cosmological constant by better than 3σ

  11. Differential regulation of metabolic parameters by energy deficit and hunger.

    Science.gov (United States)

    Kitka, Tamás; Tuza, Sebestyén; Varga, Balázs; Horváth, Csilla; Kovács, Péter

    2015-10-01

    Hypocaloric diet decreases both energy expenditure (EE) and respiratory exchange rate (RER), affecting the efficacy of dieting inversely. Energy deficit and hunger may be modulated separately both in human and animal studies by drug treatment or food restriction. Thus it is important to separate the effects of energy deficit and hunger on EE and RER. Three parallel and analogous experiments were performed using three pharmacologically distinct anorectic drugs: rimonabant, sibutramine and tramadol. Metabolic parameters of vehicle- and drug-treated and pair-fed diet-induced obese mice from the three experiments underwent common statistical analysis to identify effects independent of the mechanisms of action. Diet-induced obesity (DIO) test of tramadol was also performed to examine its anti-obesity efficacy. RER was decreased similarly by drug treatments and paired feeding throughout the experiment irrespective of the cause of reduced food intake. Contrarily, during the passive phase, EE was decreased more by paired feeding than by both vehicle and drug treatment irrespective of the drug used. In the active phase, EE was influenced by the pharmacological mechanisms of action. Tramadol decreased body weight in the DIO test. Our results suggest that RER is mainly affected by the actual state of energy balance; conversely, EE is rather influenced by hunger. Therefore, pharmacological medications that decrease hunger may enhance the efficacy of a hypocaloric diet by maintaining metabolic rate. Furthermore, our results yield the proposal that effects of anorectic drugs on EE and RER should be determined compared to vehicle and pair-fed groups, respectively, in animal models. Copyright © 2015 Elsevier Inc. All rights reserved.

  12. 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.

  13. How to Select the most Relevant Roughness Parameters of a Surface: Methodology Research Strategy

    Science.gov (United States)

    Bobrovskij, I. N.

    2018-01-01

    In this paper, the foundations for new methodology creation which provides solving problem of surfaces structure new standards parameters huge amount conflicted with necessary actual floors quantity of surfaces structure parameters which is related to measurement complexity decreasing are considered. At the moment, there is no single assessment of the importance of a parameters. The approval of presented methodology for aerospace cluster components surfaces allows to create necessary foundation, to develop scientific estimation of surfaces texture parameters, to obtain material for investigators of chosen technological procedure. The methods necessary for further work, the creation of a fundamental reserve and development as a scientific direction for assessing the significance of microgeometry parameters are selected.

  14. Parameters-related uncertainty in modeling sugar cane yield with an agro-Land Surface Model

    Science.gov (United States)

    Valade, A.; Ciais, P.; Vuichard, N.; Viovy, N.; Ruget, F.; Gabrielle, B.

    2012-12-01

    Agro-Land Surface Models (agro-LSM) have been developed from the coupling of specific crop models and large-scale generic vegetation models. They aim at accounting for the spatial distribution and variability of energy, water and carbon fluxes within soil-vegetation-atmosphere continuum with a particular emphasis on how crop phenology and agricultural management practice influence the turbulent fluxes exchanged with the atmosphere, and the underlying water and carbon pools. A part of the uncertainty in these models is related to the many parameters included in the models' equations. In this study, we quantify the parameter-based uncertainty in the simulation of sugar cane biomass production with the agro-LSM ORCHIDEE-STICS on a multi-regional approach with data from sites in Australia, La Reunion and Brazil. First, the main source of uncertainty for the output variables NPP, GPP, and sensible heat flux (SH) is determined through a screening of the main parameters of the model on a multi-site basis leading to the selection of a subset of most sensitive parameters causing most of the uncertainty. In a second step, a sensitivity analysis is carried out on the parameters selected from the screening analysis at a regional scale. For this, a Monte-Carlo sampling method associated with the calculation of Partial Ranked Correlation Coefficients is used. First, we quantify the sensitivity of the output variables to individual input parameters on a regional scale for two regions of intensive sugar cane cultivation in Australia and Brazil. Then, we quantify the overall uncertainty in the simulation's outputs propagated from the uncertainty in the input parameters. Seven parameters are identified by the screening procedure as driving most of the uncertainty in the agro-LSM ORCHIDEE-STICS model output at all sites. These parameters control photosynthesis (optimal temperature of photosynthesis, optimal carboxylation rate), radiation interception (extinction coefficient), root

  15. 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.

  16. 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.

  17. a Research on Monitoring Surface Deformation and Relationships with Surface Parameters in Qinghai Tibetan Plateau Permafrost

    Science.gov (United States)

    Mi, S. J.; Li, Y. T.; Wang, F.; Li, L.; Ge, Y.; Luo, L.; Zhang, C. L.; Chen, J. B.

    2017-09-01

    The Qinghai Tibetan Plateau permafrost has been the largest permafrost region in middle-low latitude in the world for its high altitude. For the large area permafrost, especially surface deformation brought by it, have serious influence on the road engineering, road maintaining and regional economic development. Consequently, it is essential to monitor the surface deformation and study factors that influent it. We monitored an area named Wudaoliang from July 25, 2015 to June 1, 2016 and 15 Sentinel images were obtained during this time. The area we chose is about 35 kilometers long and 2 kilometers wide, and the national road 109 of China passes through the area. The traditional PS-INSAR (Persistent Scatterer Interferometric Synthetic Aperture Radar) method is not suitable because less historical images in the research area and leading to the number of PS (Persistent Scatterer) points is not enough to obtain accurate deformation results. Therefore, in this paper, we used another method which named QUASI-PSInSAR (QUASI Persistent Scatterer Interferometric Synthetic Aperture Radar) to acquire deformation for it has the advantage to weaken or eliminate the effects of spatial and temporal correlation, which has proved by other scholar. After processing 15 images in the SARproz software, we got the conclusions that, 1) the biggest deformation velocity in the whole area was about 127.9mm/year and about 109.3 mm/year in the road; 2) apparent deformation which have surface deformation more than 30mm/year was about 1.7Km in the road. Meanwhile, soil moisture(SM), Land surface temperature (LST) and surface water(SW), which are primary parameters of the land surface over the same time were reversed by using Sentinel data, Landsat data and ZY-3 data, respectively. After analyzing SM, LST , SW and deformation, we obtained that wet areas which had bigger SM, lower LST and more SW, had greater percentage of severe deformation than arid areas; besides, deformation pattern were

  18. Estimating the Parameters of Deformation Action by Ultrasonic Surface Hardening of Metals

    Science.gov (United States)

    Rakhimyanov, Kharis M.; Rakhimyanov, Konstantin Kh; Rakhimyanov, Andrey Kh

    2017-10-01

    Developing the effective technologies of detail machining greatly depends on understanding the processes laid down in their basis. The technological methods based on electro-physical processes are considered to be attractive. These are the methods of surface plastic deforming which use the energy of ultrasonic oscillations. The peculiarities of these methods are characterized by high intensity and impulse character of the ultrasonic action. The paper presents the results of mathematical modeling of deformation processes under the impact of the ultrasonic tool on the surface layer of metals and alloys. The theoretical approach to studying the process of ultrasonic deforming allowed us to determine the mode parameters of impact and their quantitative correlations with the main characteristics of the deformation process.

  19. Electronic parameters and top surface chemical stability of RbPb2Br5

    International Nuclear Information System (INIS)

    Atuchin, V.V.; Isaenko, L.I.; Kesler, V.G.; Pokrovsky, L.D.; Tarasova, A.Yu.

    2012-01-01

    Highlights: ► Bridgman growth of RbPb 2 Br 5 crystal. ► Electronic structure measurements with XPS. ► Optical crystalline surface fabrication. - Abstract: The RbPb 2 Br 5 crystal has been grown by Bridgman method. The electronic structure of RbPb 2 Br 5 has been measured with XPS for a powder sample. High chemical stability of RbPb 2 Br 5 surface is verified by weak intensity of O 1s core level recorded by XPS and structural RHEED measurements. Chemical bonding effects have been observed by the comparative analysis of element core levels and crystal structure of RbPb 2 Br 5 and several rubidium- and lead-containing bromides using binding energy difference parameters Δ Rb = (BE Rb 3d − BE Br 3d) and Δ Pb = (BE Pb 4f 7/2 − BE Br 3d).

  20. 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.

  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. 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.

  3. 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

  4. DFTB Parameters for the Periodic Table, Part 2: Energies and Energy Gradients from Hydrogen to Calcium.

    Science.gov (United States)

    Oliveira, Augusto F; Philipsen, Pier; Heine, Thomas

    2015-11-10

    In the first part of this series, we presented a parametrization strategy to obtain high-quality electronic band structures on the basis of density-functional-based tight-binding (DFTB) calculations and published a parameter set called QUASINANO2013.1. Here, we extend our parametrization effort to include the remaining terms that are needed to compute the total energy and its gradient, commonly referred to as repulsive potential. Instead of parametrizing these terms as a two-body potential, we calculate them explicitly from the DFTB analogues of the Kohn-Sham total energy expression. This strategy requires only two further numerical parameters per element. Thus, the atomic configuration and four real numbers per element are sufficient to define the DFTB model at this level of parametrization. The QUASINANO2015 parameter set allows the calculation of energy, structure, and electronic structure of all systems composed of elements ranging from H to Ca. Extensive benchmarks show that the overall accuracy of QUASINANO2015 is comparable to that of well-established methods, including PM7 and hand-tuned DFTB parameter sets, while coverage of a much larger range of chemical systems is available.

  5. Mapping Biophysical Parameters for Land Surface Modeling over the Continental US Using MODIS and Landsat

    Directory of Open Access Journals (Sweden)

    Lahouari Bounoua

    2015-01-01

    Full Text Available In terms of the space cities occupy, urbanization appears as a minor land transformation. However, it permanently modifies land’s ecological functions, altering its carbon, energy, and water fluxes. It is therefore necessary to develop a land cover characterization at fine spatial and temporal scales to capture urbanization’s effects on surface fluxes. We develop a series of biophysical vegetation parameters such as the fraction of photosynthetically active radiation, leaf area index, vegetation greenness fraction, and roughness length over the continental US using MODIS and Landsat products for 2001. A 13-class land cover map was developed at a climate modeling grid (CMG merging the 500 m MODIS land cover and the 30 m impervious surface area from the National Land Cover Database. The landscape subgrid heterogeneity was preserved using fractions of each class from the 500 m and 30 m into the CMG. Biophysical parameters were computed using the 8-day composite Normalized Difference Vegetation Index produced by the North American Carbon Program. In addition to urban impact assessments, this dataset is useful for the computation of surface fluxes in land, vegetation, and urban models and is expected to be widely used in different land cover and land use change applications.

  6. 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)

  7. 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

  8. Application of response surface methodology in process parameters ...

    African Journals Online (AJOL)

    Administrator

    2011-09-05

    Sep 5, 2011 ... explored by investigating four parameters namely the concentration ratio of hydrogen peroxide to phenol - ((H2O2):(Phenol)), mass ratio of hydrogen peroxide to ferrous ions - ((H2O2):(Fe2+)), initial phenol concentration .... total organic carbon (TOC) using a combustion/non-dispersive infrared gas analysis ...

  9. Effect of machining parameters on surface finish of Inconel 718 in end milling

    Directory of Open Access Journals (Sweden)

    Sarkar Bapi

    2017-01-01

    Full Text Available Surface finish is an important criteria in machining process and selection of proper machining parameters is important to obtain good surface finish. In the present work effects of the machining parameters in end milling of Inconel 718 were investigated. Central composite design was used to design the total number of experiments. A Mathematical model for surface roughness has been developed using response surface methodology. In this study, the influence of cutting parameters such as cutting speed, feed rate and depth of cut on surface roughness was analyzed. The study includes individual effect of cutting parameters on surface roughness as well as their interaction. The analysis of variance (ANOVA was employed to find the validity of the developed model. The results show that depth of cut mostly affected the surface roughness. It is also observed that surface roughness values are comparable in both dry and wet machining conditions.

  10. Observations of the atmospheric surface layer parameters over a ...

    Indian Academy of Sciences (India)

    R. Narasimhan (Krishtel eMaging) 1461 1996 Oct 15 13:05:22

    1999-08-11

    Aug 11, 1999 ... kinetic energy to heat by viscous forces and α the Kolmogorov's constant. For estimating the dis- sipation rate ε, the universal constant α in the. Kolmogorov's expression for one dimensional wind spectrum, is taken as 0.55 (Kaimal and Finnigan. 1994). The time evolution of the rate of dissipation of turbulent ...

  11. 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...

  12. 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

  13. Bayesian estimation of regularization parameters for deformable surface models

    Energy Technology Data Exchange (ETDEWEB)

    Cunningham, G.S.; Lehovich, A.; Hanson, K.M.

    1999-02-20

    In this article the authors build on their past attempts to reconstruct a 3D, time-varying bolus of radiotracer from first-pass data obtained by the dynamic SPECT imager, FASTSPECT, built by the University of Arizona. The object imaged is a CardioWest total artificial heart. The bolus is entirely contained in one ventricle and its associated inlet and outlet tubes. The model for the radiotracer distribution at a given time is a closed surface parameterized by 482 vertices that are connected to make 960 triangles, with nonuniform intensity variations of radiotracer allowed inside the surface on a voxel-to-voxel basis. The total curvature of the surface is minimized through the use of a weighted prior in the Bayesian framework, as is the weighted norm of the gradient of the voxellated grid. MAP estimates for the vertices, interior intensity voxels and background count level are produced. The strength of the priors, or hyperparameters, are determined by maximizing the probability of the data given the hyperparameters, called the evidence. The evidence is calculated by first assuming that the posterior is approximately normal in the values of the vertices and voxels, and then by evaluating the integral of the multi-dimensional normal distribution. This integral (which requires evaluating the determinant of a covariance matrix) is computed by applying a recent algorithm from Bai et. al. that calculates the needed determinant efficiently. They demonstrate that the radiotracer is highly inhomogeneous in early time frames, as suspected in earlier reconstruction attempts that assumed a uniform intensity of radiotracer within the closed surface, and that the optimal choice of hyperparameters is substantially different for different time frames.

  14. 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.

  15. 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.

  16. 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

  17. Effect of High-Speed Milling Parameters on Surface Metamorphic Layer of TC17 Titanium Alloy

    Directory of Open Access Journals (Sweden)

    TAN Liang

    2017-12-01

    Full Text Available In order to provide the relatively accurate experimental basis for optimizing parameters and controlling surface metamorphic layer, ball end high-speed milling experiments of TC17 titanium alloy were carried out utilizing one of experimental design techniques based on the response surface methodology. The surface roughness prediction model was built, variance analyses were applied to check the significances of surface roughness model and input parameters, the effect of parameters on surface roughness was analyzed. Meanwhile, the residual stress, microhardness and microstructure under the condition of high, medium and low level of parameters were investigated. Results indicate that the model can predict the surface roughness effectively and feed per tooth and radial depth of cut have an obvious effect on surface roughness. Compressive residual stresses are detected on all milled surfaces and surface residual stresses are increased with the increase of the level of the milling parameters. The compressive residual stress layer is approximately 20 μm regardless of milling parameters level used. The process of thermal softening, then work hardening, and finally tending to stabilize are observed in the microhardness profiles. Grains of the surface layer are broken and bent, the thickness of plastic deformation layer is approximately 10 μm.

  18. 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....

  19. Pinus sylvestris L. needle surface wettability parameters as indicators of atmospheric environment pollution impacts: Novel contact angle hysteresis methodology

    Science.gov (United States)

    Pogorzelski, Stanisław J.; Rochowski, Pawel; Szurkowski, Janusz

    2014-02-01

    An investigation of water contact angles (CAs), contact angle hysteresis (CAH) was carried out for 1-year to 4-year old needles (Pinus sylvestris) collected in urban (Gdansk) and rural (Karsin) locations using an original measuring technique based on the geometry of the drop on a vertical filament. Concentrations of air pollutants (SO2, NOx, C6H6, and suspended particular matter - SPM) currently considered to be most important in causing direct damage to vegetation were simultaneously monitored. A set of the surface wettability parameters: the apparent surface free energy γSV, adhesive film tension Π, work of adhesion WA, and spreading WS, were determined from CAH data using the approach developed by Chibowski (2003) to quantify the surface energetics of the needle substrata affected by aging and pollution impacts. This formalism relates the total apparent surface free energy of the solid γSV with only three measurable quantities: the surface tension of the probe liquid γLV and its advancing θA and receding θR contact angle hysteresis. Since CAH depends on the outermost wax layer surface roughness and spatial physicochemical heterogeneity of a solid surface, CA data were corrected using surface architecture profiles registered with confocal scanning laser microscopy. It was found that the roughness parameter r is significantly negatively correlated (R = -0.74) with the needle age (collected at Karsin). The needle surface aging process resulted in its surface hydrophilization (CA↓ and CAH↓ with γSV↑ and WA↑). A temporal evolution of the needles wettability was traced with the data point distribution in the 2D space of CAH plotted versus WS. The wettability parameters were closely correlated to pollutant concentrations as evidenced from Spearman's rank correlation procedure (R = 0.63-0.91; p biological systems.

  20. 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)

  1. Comparison of energy and yield parameters in maize crop

    International Nuclear Information System (INIS)

    Memon, S.Q.; Mirjat, M.S.; Amjad, N.

    2013-01-01

    The aim of this study was to determine direct and indirect input energy in maize production and to investigate the efficiency of energy consumption in maize crop. Result showed that emergence percent, plant height, number of grains per cob and grain yield were the highest in deep tillage as compared to conventional and zero tillage. Total energy input and output were the highest in deep tillage with NPK at the rate 150-75-75kg/ha. The net energy gain was found the highest in deep tillage followed by conventional tillage and the lowest net energy gain in zero tillage. (author)

  2. A new four-parameter empirical potential energy function for ...

    Indian Academy of Sciences (India)

    Abstract. A new empirical four-parameter function is proposed for the construction of potential curves of 15 stable states of diatomic molecules. The parameters are evaluated in terms of experimentally known spectroscopic constants. On comparing its performance with other functions, the proposed function is found to be ...

  3. Investigation of Compost Fertilizer Granulation Parameters Using Response Surface Methodology

    Directory of Open Access Journals (Sweden)

    Y Ghasemi

    2015-03-01

    Full Text Available Nowadays compost fertilizers are suitable alternative to chemical fertilizers, due to the threats for human health and agriculture products. The most important problems for applying the compost fertilizer in the farm are: transportation (high volume, high moisture content, spreading problem, impurity such as dust and storage. To solve the problems mentioned, pressing process such as converting the compost to pellets and granules are suggested. In this research the effects of some granulation parameters on the percent of useful granules in a laboratory scale rotating drum was evaluated. The percentage of useful granules decreased by increasing the granulation time and increased by increasing the percentage of drum filling. The optimal conditions for granules production was achieved at drum rotational speed of 40.38 rpm, granulation time of 15 min, drum filling of 10% and molasse percentage of 40.97. According to these conditions, the response for useful granule was estimated as 81.6% with R2 of 0.924.

  4. 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.

  5. 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...

  6. Global High Resolution Sea Surface Flux Parameters From Multiple Satellites

    Science.gov (United States)

    Zhang, H.; Reynolds, R. W.; Shi, L.; Bates, J. J.

    2007-05-01

    Advances in understanding the coupled air-sea system and modeling of the ocean and atmosphere demand increasingly higher resolution data, such as air-sea fluxes of up to 3 hourly and every 50 km. These observational requirements can only be met by utilizing multiple satellite observations. Generation of such high resolution products from multiple-satellite and in-situ observations on an operational basis has been started at the U.S. National Oceanic and Atmospheric Administration (NOAA) National Climatic Data Center. Here we describe a few products that are directly related to the computation of turbulent air-sea fluxes. Sea surface wind speed has been observed from in-situ instruments and multiple satellites, with long-term observations ranging from one satellite in the mid 1987 to six or more satellites since mid 2002. A blended product with a global 0.25° grid and four snapshots per day has been produced for July 1987 to present, using a near Gaussian 3-D (x, y, t) interpolation to minimize aliases. Wind direction has been observed from fewer satellites, thus for the blended high resolution vector winds and wind stresses, the directions are taken from the NCEP Re-analysis 2 (operationally run near real time) for climate consistency. The widely used Reynolds Optimum Interpolation SST analysis has been improved with higher resolutions (daily and 0.25°). The improvements use both infrared and microwave satellite data that are bias-corrected by in- situ observations for the period 1985 to present. The new versions provide very significant improvements in terms of resolving ocean features such as the meandering of the Gulf Stream, the Aghulas Current, the equatorial jets and other fronts. The Ta and Qa retrievals are based on measurements from the AMSU sounder onboard the NOAA satellites. Ta retrieval uses AMSU-A data, while Qa retrieval uses both AMSU-A and AMSU-B observations. The retrieval algorithms are developed using the neural network approach. Training

  7. 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

  8. 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.

  9. Complementary nature of surface and atmospheric parameters associated with Haiti earthquake of 12 January 2010

    Directory of Open Access Journals (Sweden)

    Ramesh P. Singh

    2010-06-01

    Full Text Available The present paper describes surface (surface air temperature and atmospheric parameters (relative humidity, surface latent heat flux over the epicenter (18°27´25´´ N 72°31´59´´ W of Haiti earthquake of 12 January 2010. Our analysis shows pronounced changes in surface and atmospheric parameters few days prior to the main earthquake event. Changes in relative humidity are found from the surface up to an altitude of 500 hPa clearly show atmospheric perturbations associated with the earthquake event. The purpose of this paper is to show complementary nature of the changes observed in surface, atmospheric and meteorological parameters. The total ozone concentration is found to be lowest on the day of earthquake and afterwards found to be increased within a week of earthquake. The present results show existence of coupling between lithosphere-atmosphere associated with the deadly Haiti earthquake.

  10. 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.

  11. Implementing surface parameter aggregation rules in the CCM3 global climate model: regional responses at the land surface

    Directory of Open Access Journals (Sweden)

    M. A. Arain

    1999-01-01

    Full Text Available The land-surface parameters required as input to a GCM grid box (typically a few degrees are often set to be those of the dominant vegetation type within the grid box. This paper discusses the use and effect of aggregation rules for specifying effective values of these land cover parameters by taking into account the relative proportion of each land-cover type within each individual grid box. Global land-cover classification data at 1 km resolution were used to define Biosphere Atmosphere Transfer Scheme (BATS specific aggregate (using aggregation rules land-cover parameters. Comparison of the values of the aggregate parameters and those defined using the single dominant vegetation type (default parameters shows significant differences in some regions, particularly in the semi-desert and in forested regions, e.g. the Sahara Desert and the tropical forest of South America. These two different sets of parameters were used as input data for two 10-year simulations of the NCAR CCM3 model coupled to the BATS land-surface scheme. Statistical analyses comparing the results of the two model runs showed that the resulting effects on the land-surface diagnostics are significant only in specific regions. For example, the sensible heat flux in the Sahara Desert calculated for the aggregate parameter run increased due to the marked increase in the minimum stomatal resistance and the decrease in fractional vegetation cover in the aggregate parameters over the default parameters. The modelled global precipitation and surface air temperature fields were compared to observations: there is a general improvement in the performance of the aggregate parameter run over the default parameter run in areas where the differences between the aggregate and default parameter run are significant. However, most of the difference between the modelled and observed fields is attributable to other model deficiencies. It can be concluded that the use of aggregation rules to derive

  12. Improving weather predictability by including land-surface model parameter uncertainty

    Science.gov (United States)

    Orth, Rene; Dutra, Emanuel; Pappenberger, Florian

    2016-04-01

    The land surface forms an important component of Earth system models and interacts nonlinearly with other parts such as ocean and atmosphere. To capture the complex and heterogenous hydrology of the land surface, land surface models include a large number of parameters impacting the coupling to other components of the Earth system model. Focusing on ECMWF's land-surface model HTESSEL we present in this study a comprehensive parameter sensitivity evaluation using multiple observational datasets in Europe. We select 6 poorly constrained effective parameters (surface runoff effective depth, skin conductivity, minimum stomatal resistance, maximum interception, soil moisture stress function shape, total soil depth) and explore their sensitivity to model outputs such as soil moisture, evapotranspiration and runoff using uncoupled simulations and coupled seasonal forecasts. Additionally we investigate the possibility to construct ensembles from the multiple land surface parameters. In the uncoupled runs we find that minimum stomatal resistance and total soil depth have the most influence on model performance. Forecast skill scores are moreover sensitive to the same parameters as HTESSEL performance in the uncoupled analysis. We demonstrate the robustness of our findings by comparing multiple best performing parameter sets and multiple randomly chosen parameter sets. We find better temperature and precipitation forecast skill with the best-performing parameter perturbations demonstrating representativeness of model performance across uncoupled (and hence less computationally demanding) and coupled settings. Finally, we construct ensemble forecasts from ensemble members derived with different best-performing parameterizations of HTESSEL. This incorporation of parameter uncertainty in the ensemble generation yields an increase in forecast skill, even beyond the skill of the default system. Orth, R., E. Dutra, and F. Pappenberger, 2016: Improving weather predictability by

  13. 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

  14. Effect of Irradiation Parameters on Morphology of Polishing DF2 (AISI-O1 Surface by Nd:YAG Laser

    Directory of Open Access Journals (Sweden)

    Wei Guo

    2007-01-01

    Full Text Available Pulse Nd:YAG laser was used to polish DF2 cold work steel. Influence of irradiation parameters on the 3D surface morphology was studied by 3D profilometer, scanning electron microscopy (SEM, and atomic force microscope (AFM. Results among the tests showed when DF2 specimens were irradiated with parameters of (i laser input energy P=1 J, (ii pulse feedrate=300 mm/min, (iii pulse duration (PD =3 milliseconds, and (iv pulse frequency f=20∼25 Hz, laser polishing of DF2 cold work steel seemed to be successful.

  15. 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

  16. 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.

  17. 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.

  18. Influence of the excitation parameters of the mechanical subsystem on effectiveness of energy harvesting system

    Science.gov (United States)

    Buchacz, A.; Banaś, W.; Płaczek, M.

    2015-11-01

    Piezoelectric transducers are used more and more often in modern technical devices. The wide range of their possible applications is a result of the possibility to use both direct and reverse piezoelectric effect. Nowadays, application of piezoelectric transducers in energy harvesting systems is getting more and more popular. It is caused by the easy way to convert energy of mechanical vibration to the electric voltage using piezoelectric transducers. This paper presents results of influence analysis of the vibrating mechanical subsystem's excitation parameters on the effectiveness of the system designed for energy harvesting. The considered vibrating system is a composite plate with piezoelectric transducer bonded to its surface. Vibrations of the system are excited by means of an actuator with possibility to change the excitation amplitude and frequency. Recovering of electrical energy from mechanical vibrations is possible by using the direct piezoelectric effect - generation of the electric voltage while the transducer is mechanically deformed. In carried out test Macro Fiber Composite (MFC) piezoelectric transducers were used. It was proved that the time that is necessary for switch on the output voltage in analyzed system depends on the frequency of the excitation.

  19. Optimization of design parameters of low-energy buildings

    Science.gov (United States)

    Vala, Jiří; Jarošová, Petra

    2017-07-01

    Evaluation of temperature development and related consumption of energy required for heating, air-conditioning, etc. in low-energy buildings requires the proper physical analysis, covering heat conduction, convection and radiation, including beam and diffusive components of solar radiation, on all building parts and interfaces. The system approach and the Fourier multiplicative decomposition together with the finite element technique offers the possibility of inexpensive and robust numerical and computational analysis of corresponding direct problems, as well as of the optimization ones with several design variables, using the Nelder-Mead simplex method. The practical example demonstrates the correlation between such numerical simulations and the time series of measurements of energy consumption on a small family house in Ostrov u Macochy (35 km northern from Brno).

  20. Analysis of WEDM Process Parameters on Surface Roughness and Kerf using Taguchi Method

    Directory of Open Access Journals (Sweden)

    Asfana Banu

    2017-12-01

    Full Text Available In obtaining the best quality of engineering parts, the quality of machined surface plays an essential role. The fatigue strength, wear resistance, and corrosion of workpiece are some of the aspects of the qualities that can be improved. This paper investigates the effect of wire electrical discharge machining (WEDM process parameters on surface roughness and kerf on stainless steel using distilled water as dielectric fluid and brass wire as tool electrode. The selected process parameters are voltage open, wire speed, wire tension, voltage gap, and off time. Empirical models using Taguchi method were developed for the estimation of surface roughness and kerf. The analysis revealed that off time has major influence on surface roughness and kerf. The optimum machining parameters for minimum surface roughness and kerf were found to be 10 V open voltage, 2.84 µs off time, 12 m/min wire speed, 6.3 N wire tension, and 54.91 V voltage gap.

  1. Influence of Wire Electrical Discharge Machining (WEDM) process parameters on surface roughness

    Science.gov (United States)

    Yeakub Ali, Mohammad; Banu, Asfana; Abu Bakar, Mazilah

    2018-01-01

    In obtaining the best quality of engineering components, the quality of machined parts surface plays an important role. It improves the fatigue strength, wear resistance, and corrosion of workpiece. This paper investigates the effects of wire electrical discharge machining (WEDM) process parameters on surface roughness of stainless steel using distilled water as dielectric fluid and brass wire as tool electrode. The parameters selected are voltage open, wire speed, wire tension, voltage gap, and off time. Empirical model was developed for the estimation of surface roughness. The analysis revealed that off time has a major influence on surface roughness. The optimum machining parameters for minimum surface roughness were found to be at a 10 V open voltage, 2.84 μs off time, 12 m/min wire speed, 6.3 N wire tension, and 54.91 V voltage gap.

  2. Enamel surface topography analysis for diet discrimination. A methodology to enhance and select discriminative parameters

    Science.gov (United States)

    Francisco, Arthur; Blondel, Cécile; Brunetière, Noël; Ramdarshan, Anusha; Merceron, Gildas

    2018-03-01

    Tooth wear and, more specifically, dental microwear texture is a dietary proxy that has been used for years in vertebrate paleoecology and ecology. DMTA, dental microwear texture analysis, relies on a few parameters related to the surface complexity, anisotropy and heterogeneity of the enamel facets at the micrometric scale. Working with few but physically meaningful parameters helps in comparing published results and in defining levels for classification purposes. Other dental microwear approaches are based on ISO parameters and coupled with statistical tests to find the more relevant ones. The present study roughly utilizes most of the aforementioned parameters in their more or less modified form. But more than parameters, we here propose a new approach: instead of a single parameter characterizing the whole surface, we sample the surface and thus generate 9 derived parameters in order to broaden the parameter set. The identification of the most discriminative parameters is performed with an automated procedure which is an extended and refined version of the workflows encountered in some studies. The procedure in its initial form includes the most common tools, like the ANOVA and the correlation analysis, along with the required mathematical tests. The discrimination results show that a simplified form of the procedure is able to more efficiently identify the desired number of discriminative parameters. Also highlighted are some trends like the relevance of working with both height and spatial parameters, as well as the potential benefits of dimensionless surfaces. On a set of 45 surfaces issued from 45 specimens of three modern ruminants with differences in feeding preferences (grazing, leaf-browsing and fruit-eating), it is clearly shown that the level of wear discrimination is improved with the new methodology compared to the other ones.

  3. 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

  4. 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

  5. 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

  6. 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.

  7. 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.

  8. Estimation of CE–CVM energy parameters from miscibility gap data

    Indian Academy of Sciences (India)

    Home; Journals; Bulletin of Materials Science; Volume 28; Issue 2. Estimation of CE–CVM energy parameters from miscibility gap data. G Srinivasa Gupta G ... As a starting point, a method has been devised to estimate the values of energy parameters from consolute point (miscibility gap maximum) data. Empirical relations ...

  9. 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.

  10. 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

  11. The influence of the surface parameter changes onto the phonon states in ultrathin crystalline films

    Science.gov (United States)

    Šetrajčić, Jovan P.; Ilić, Dušan I.; Jaćimovski, Stevo K.

    2018-04-01

    In this paper, we have analytically investigated how the changes in boundary surface parameters influence the phonon dispersion law in ultrathin films of the simple cubic crystalline structure. Spectra of possible phonon states are analyzed using the method of two-time dependent Green's functions and for the diverse combination of boundary surface parameters, this problem was presented numerically and graphically. It turns out that for certain values and combinations of parameters, displacement of dispersion branches outside of bulk zone occurs, leading to the creation of localized phonon states. This fact is of great importance for the heat removal, electrical conductivity and superconducting properties of ultrathin films.

  12. 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.

  13. Analysis of land surface parameters and turbulence characteristics over the Tibetan Plateau and surrounding region

    Science.gov (United States)

    Wang, Yinjun; Xu, Xiangde; Liu, Huizhi; Li, Yueqing; Li, Yaohui; Hu, Zeyong; Gao, Xiaoqing; Ma, Yaoming; Sun, Jihua; Lenschow, Donald H.; Zhong, Shiyuan; Zhou, Mingyu; Bian, Xindi; Zhao, Ping

    2016-08-01

    Based on the results from 11 flux sites during the third Tibetan Plateau (TP) Experiment (TIPEX III), land surface parameters and the turbulence characteristics of the atmospheric surface layer over the TP and surrounding region are analyzed. Monin-Obukhov similarity theory has been used to calculate the aerodynamic roughness length z0m and the excess resistance to heat transfer kB- 1 = ln(z0m/z0h), and the factors that cause variations of z0m and kB- 1 are investigated. The main drivers for the diurnal variations of surface albedo (α) at different sites are solar elevation, solar radiation, and soil moisture. The eddy correlation method is utilized to inversely calculate bulk transfer coefficients for momentum (CD) and heat (CH) at different sites. The relationships between CD and CH and the wind speed at 10 m follow a power law for unstable stratification. For stable stratification, both CD and CH increase with increasing wind speed when wind speed is less than 5 m/s. Diurnal variations of turbulent fluxes are compared at different sites, and the relationships between turbulent fluxes and other variables are analyzed. Wind speed variance normalized by the friction velocity (σu/u*, σv/u*, σw/u*) for neutral stratification (Cu1, Cv1, Cw1), and temperature and humidity variance normalized by a temperature and humidity scale (σT/T*, σq/q*) under free convection (z/L < -0.1) (CT, Cq) are fitted with similarity relations. The differences in similarity constants (Cu1, Cv1, Cw1, CT, Cq) at different sites are discussed. For stable stratification, cases are divided into weakly stable conditions and intermittent turbulence, and the critical values for these two states are determined. Shear and buoyancy terms in the turbulence kinetic energy equation for different stratifications are analyzed.

  14. 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.

  15. 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.

  16. 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.

  17. 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...

  18. Inverse modeling of hydrologic parameters using surface flux and runoff observations in the Community Land Model

    Science.gov (United States)

    Sun, Y.; Hou, Z.; Huang, M.; Tian, F.; Leung, L. Ruby

    2013-12-01

    This study demonstrates the possibility of inverting hydrologic parameters using surface flux and runoff observations in version 4 of the Community Land Model (CLM4). Previous studies showed that surface flux and runoff calculations are sensitive to major hydrologic parameters in CLM4 over different watersheds, and illustrated the necessity and possibility of parameter calibration. Both deterministic least-square fitting and stochastic Markov-chain Monte Carlo (MCMC)-Bayesian inversion approaches are evaluated by applying them to CLM4 at selected sites with different climate and soil conditions. The unknowns to be estimated include surface and subsurface runoff generation parameters and vadose zone soil water parameters. We find that using model parameters calibrated by the sampling-based stochastic inversion approaches provides significant improvements in the model simulations compared to using default CLM4 parameter values, and that as more information comes in, the predictive intervals (ranges of posterior distributions) of the calibrated parameters become narrower. In general, parameters that are identified to be significant through sensitivity analyses and statistical tests are better calibrated than those with weak or nonlinear impacts on flux or runoff observations. Temporal resolution of observations has larger impacts on the results of inverse modeling using heat flux data than runoff data. Soil and vegetation cover have important impacts on parameter sensitivities, leading to different patterns of posterior distributions of parameters at different sites. Overall, the MCMC-Bayesian inversion approach effectively and reliably improves the simulation of CLM under different climates and environmental conditions. Bayesian model averaging of the posterior estimates with different reference acceptance probabilities can smooth the posterior distribution and provide more reliable parameter estimates, but at the expense of wider uncertainty bounds.

  19. Energy of surface states for 3D magnetic Schrödinger operators

    DEFF Research Database (Denmark)

    Nasrallah, Marwa

    In this dissertation, we study the Schrödinger operator with magnetic field in a three dimensional domain with compact smooth boundary. Functions in the domain of the operator satisfy (magnetic) Neumann condition on the boundary. The operator depends on the semi-classical parameter....... As this parameter becomes small, certain eigenfunctions of the operator are localized near the boundary of the domain, hence they will be called surface states. The main result of this dissertation is the calculation of the leading order terms of the energy and the number of surface states when the semi-classical...

  20. 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.)

  1. 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.

  2. 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)

  3. 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.

  4. 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.

  5. Investigation of the influence of pretreatment parameters on the surface characteristics of amorphous metal for use in power industry

    Science.gov (United States)

    Nieroda, Jolanta; Rybak, Andrzej; Kmita, Grzegorz; Sitarz, Maciej

    2018-05-01

    Metallic glasses are metallic materials, which exhibit an amorphous structure. These are mostly three or more component alloys, and some of them are magnetic metals. Materials of this kind are characterized by high electrical resistivity and at the same time exhibit very good magnetic properties (e.g. low-magnetization loss). The above mentioned properties are very useful in electrical engineering industry and this material is more and more popular as a substance for high-efficiency electrical devices production. This industry area is still evolving, and thus even higher efficiency of apparatus based on amorphous material is expected. A raw material must be carefully investigated and characterized before the main production process is started. Presented work contains results of complementary examination of amorphous metal Metglas 2605. Studies involve two ways to obtain clean and oxidized surface with high reactivity, namely degreasing followed by annealing process and plasma treatment. The amorphous metal parameters were examined by means of several techniques: surface free energy (SFE) measurements by sessile drop method, X-ray Photoelectron Spectroscopy (XPS), Scanning Electron Microscopy (SEM), X-ray Diffraction (XRD), and both ex situ and in situ Raman spectroscopy. Additionally, influence of plasma parameters on wetting properties were optimized in systematic way with Design of Experiments (DOE) method. A wide range of used methods allow to fully investigate the amorphous metal material during preliminary preparation of surface. Obtained results provide information about appropriate parameters that should be applied in order to obtain highly reactive surface with functional oxide layer on it.

  6. Choosing of rational parameters of vibrational cleaning of sieving surfaces during materials classification

    OpenAIRE

    Кадильникова, Татьяна Михайловна; Силина, Наталья Александровна

    2012-01-01

    The article considers the issues of creation of energy-efficient technologies of vibrational cleaning of sieving surfaces during the classification of bulk solids of various sizes. The effects of vibration on the bulk solids were studied, its positive impact on the distribution of material on the work surface and the passage of solids through the sieve fractions of the mesh were determined. The article presents the dynamic scheme of vibrational cleaning of sieving surfaces during the classifi...

  7. 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.

  8. Modeling and Parameter Optimization for Surface Roughness and Residual Stress in Dry Turning Process

    Directory of Open Access Journals (Sweden)

    M. H. El-Axir

    2017-10-01

    Full Text Available The influence of some turning variables and tool overhang on surface roughness parameters and residual stress induced due to machining 6061-T6 aluminum alloy is investigated in this paper. Four input parameters (cutting speed, feed rate, depth of cut and tool overhang are considered. Tests are carried out by precision turning operation on a lathe. Design of experiment techniques, i.e. response surface methodology (RSM and Taguchi's technique have been used to accomplish the objective of the experimental study. Surface roughness parameters are measured using a portable surface roughness device while residual stresses are measured employing deflection-etching technique using electrochemical analysis. The results obtained reveal that feed and rotational speed play significant role in determining the average surface roughness. Furthermore, the depth of cut and tool overhang are less significant parameters, whereas tool overhang interacts with feed rate. The best result of surface roughness was obtained using low or medium values of overhang with low speed and /or feed rate. Minimum maximum tensile residual stress can be obtained with a combination of tool overhang of 37 mm with very low depth of cut, low rotational speed and feed rate of 0.188 mm/rev.

  9. Reliability of surface electromyography timing parameters in gait in cervical spondylotic myelopathy.

    LENUS (Irish Health Repository)

    Malone, Ailish

    2012-02-01

    The aims of this study were to validate a computerised method to detect muscle activity from surface electromyography (SEMG) signals in gait in patients with cervical spondylotic myelopathy (CSM), and to evaluate the test-retest reliability of the activation times designated by this method. SEMG signals were recorded from rectus femoris (RF), biceps femoris (BF), tibialis anterior (TA), and medial gastrocnemius (MG), during gait in 12 participants with CSM on two separate test days. Four computerised activity detection methods, based on the Teager-Kaiser Energy Operator (TKEO), were applied to a subset of signals and compared to visual interpretation of muscle activation. The most accurate method was then applied to all signals for evaluation of test-retest reliability. A detection method based on a combined slope and amplitude threshold showed the highest agreement (87.5%) with visual interpretation. With respect to reliability, the standard error of measurement (SEM) of the timing of RF, TA and MG between test days was 5.5% stride duration or less, while the SEM of BF was 9.4%. The timing parameters of RF, TA and MG designated by this method were considered sufficiently reliable for use in clinical practice, however the reliability of BF was questionable.

  10. A parametric study of laser interference surface patterning of dental zirconia: Effects of laser parameters on topography and surface quality.

    Science.gov (United States)

    Roitero, Erica; Lasserre, Federico; Anglada, Marc; Mücklich, Frank; Jiménez-Piqué, Emilio

    2017-01-01

    The aim of this work is to generate micrometric linear patterns with different topography on dental grade zirconia by means of UV laser interference and to assess the quality of the produced surface, both in term of the geometry produced and of the surface damage induced in the material. The third harmonic of a Q-switched Nd:YAG laser (355nm, pulse duration of 10ns and repetition rate of 1Hz) was employed to pattern the surface of 3Y-TZP with micrometric-spaced lines. The resulting topography was characterized with White Light Interferometry and Scanning electron microscopy: pattern depth (H), amplitude roughness parameters (S a , filtered-S a ), Fourier spatial analysis and collateral damages were related to laser fluence and number of pulses employed. With our experimental setup, line-patterning of zirconia surfaces can be achieved with periodicities comprised within 5 and 15μm. Tuning laser parameters allows varying independently pattern depth, overall roughness and surface finish. Increasing both fluence and number of pulses allows producing deeper patterns (maximum achievable depth of 1μm). However, increasing the number of pulses has a detrimental effect on the quality of the produced lines. Surface damage (intergranular cracking, open porosity and nano-droplets formation) can be generated, depending on laser parameters. This work provides a parametric analysis of surface patterning by laser interference on 3Y-TZP. Best conditions in terms of quality of the produced pattern and minimum material damage are obtained for low number of pulses with high laser fluence. With the employed method we can produce zirconia materials with controlled topography that are expected to enhance biological response and mechanical performance of dental components. Copyright © 2016 The Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

  11. Using of standard marine radar for determination of a water surface and an atmosphere near-surface layer parameters

    Science.gov (United States)

    Bogatov, Nikolay A.; Bakhanov, Victor V.; Ermoshkin, Aleksei V.; Kazakov, Vasily I.; Kemarskaya, Olga N.; Titov, Victor I.; Troitskaya, Yulia I.

    2014-10-01

    At present time radar methods of the seas and oceans diagnostics are actively developing. Using of the radar stations based on satellites and planes allows to receive information on a sea surface and a atmosphere near-surface layer with coverage of big water surface areas independently of day time. The developed methods of satellite radio images processing can be applied to marine radar stations. In Institute of Applied Physics RAS works on sea surface diagnostics systems development on the basis of standard marine radar are actively conducted. Despite smaller coverage of the territory in comparison with satellite data, marine radar have possibility to record spatially temporary radar images and to receive information on a surrounding situation quickly. This work deals with results of the researches which were conducted within the international expedition in the Atlantic Ocean in the autumn of 2012 on a route Rotterdam (Netherlands) - Ushuaya (Argentina) - Antarctica — Ushuaya. During this expedition a complex measurements of a sea surface, a atmosphere near-surface layer parameters and subsurface currents in the wide range of hydroweather conditions, including the storm were carried out. The system developed in IAP RAS on the basis of a marine radar ICOM MR-1200RII and the ADC (Analog Digital Converter) block for data recording on the personal computer was used. Display of a non-uniform near-surface current on sea surface radar images in storm conditions is shown. By means of the high-speed anemometer and meteorological station the measurements of the atmosphere parameters were carried out. Comparison of the anemometer data with calculated from radar images is carried out. Dependence of radar cross section from wind speed in the wide range of wind speeds, including storm conditions is investigated. Possibility of marine radar using for surface waves intensity and ice situation estimates also as icebergs detection is shown.

  12. Study on the influence of helical milling parameters on surface roughness of titanium alloy

    Directory of Open Access Journals (Sweden)

    Chunhui JI

    2015-06-01

    Full Text Available As a new technology, helical milling has been widely used in hole-making of titanium alloy, and the surface roughness is an important indicator for evaluating the quality of titanium alloy hole. In this paper, the helical milling experiments are carried out to study the effect of machining parameters on the surface roughness with the model established in Matlab. It is proved that the model can well predict the influence of the helical milling parameters on surface roughness. With screw pitch increasing, the surface roughness of titanium hole firstly decreases and then increases in the range of 0.15~0.25 mm/rev. However, the surface roughness increases gradually at first and then decreases with the increasing of the feed per tooth in the range of 0.03~0.05 mm/tooth. Similarly, with the increasing of spindle speed, the surface roughness firstly increases, then decreases, and again gradually increases smoothly in the range of 2 500~3 500 r/min. The results in the work can provide experimental basis for optimizing cutting parameters and decreasing surface roughness in helical milling process.

  13. Identification of Parameters Affecting the Variability of Energy Use in Residential Buildings

    DEFF Research Database (Denmark)

    Gianniou, Panagiota; Heller, Alfred; Nielsen, Per Sieverts

    2016-01-01

    Energy use of buildings varies significantly. When aggregating the demand profiles of a group of buildings, the variations of energy demand are critical to determine the aggregated load profile. Especially when dimensioning district energy systems, it is important to know the variability of energy...... demand that can guarantee the efficient operation of the system. For this reason, it is useful to distinguish the parameters that affect building energy performance the most and to estimate the magnitude of these variations on each parameter. The aim of the present study is to identify the parameters...... that lead to the largest variations in energy performance of residential buildings in Denmark. A set of sensitivity analysis has been carried out using an extensive search algorithm. These sensitivity analyses were then applied for modelling a reference building representing Danish single-family houses...

  14. Medium energy measurements of N-N parameters

    International Nuclear Information System (INIS)

    Ambrose, D.; Bachman, M.; Coffey, P.; Glass, G.; Jobst, B.; McNaughton, K.H.; Nguyen, C.; Riley, P.J.

    1993-01-01

    The authors report here progress made during the three year period January 1, 1990, to December 31, 1993, for the Department of Energy Three-Year Grant No. DE-FG05-88ER40446, third year. A major part of the work has been associated with nucleon-nucleon (N-N) research carried out at the Nucleon Physics Laboratory (NPL) at the Los Alamos Meson Physics Facility (LAMPF). During this period they also completed data acquisition and analyses of a TRIUMF experiment, but they have no further plans for experimental work at TRIUMF. Other research has been and will be continued to be carried out at BNL, and involves two rare kaon decay experiments, BNL E791, now completed, and a second generation rare kaon decay experiment, E871, which has just this summer completed an engineering test run. The authors are now also members of a proposed experiment, STAR, (Solenoidal Tracker at RHIC) to be carried out at the Relativistic Heavy Ion Collider facility, RHIC, at BNL. The past three years have been a time of rapid change in the focus of the experimental program. A LAMPF experiment, E1097, in which they spent a large amount of effort during the past three years, was terminated due to funding shortages after they had fabricated the detector, but before data acquisition, and consequently they increased their participation in the rare kaon experiment at BNL, E871. It now appears that there will be no LAMPF N-N program after 1993, so that the research efforts will concentrate on the BNL rare kaon decay measurement, E871, and on STAR. The authors expect that STAR, which requires the fabrication of a large colliding beam detector facility, will use an increasing amount of their research efforts during the next few years. In what follows they describe recent progress on the LAMPF and TRIUMF N-N measurements, on the BNL rare kaon decay work, and on the initial work with the STAR group

  15. Modified polarimetric bidirectional reflectance distribution function with diffuse scattering: surface parameter estimation

    Science.gov (United States)

    Zhan, Hanyu; Voelz, David G.

    2016-12-01

    The polarimetric bidirectional reflectance distribution function (pBRDF) describes the relationships between incident and scattered Stokes parameters, but the familiar surface-only microfacet pBRDF cannot capture diffuse scattering contributions and depolarization phenomena. We propose a modified pBRDF model with a diffuse scattering component developed from the Kubelka-Munk and Le Hors et al. theories, and apply it in the development of a method to jointly estimate refractive index, slope variance, and diffuse scattering parameters from a series of Stokes parameter measurements of a surface. An application of the model and estimation approach to experimental data published by Priest and Meier shows improved correspondence with measurements of normalized Mueller matrix elements. By converting the Stokes/Mueller calculus formulation of the model to a degree of polarization (DOP) description, the estimation results of the parameters from measured DOP values are found to be consistent with a previous DOP model and results.

  16. Software measurement standards for areal surface texture parameters: part 2—comparison of software

    International Nuclear Information System (INIS)

    Harris, P M; Smith, I M; Giusca, C; Leach, R K; Wang, C

    2012-01-01

    A companion paper in this issue describes reference software for the evaluation of areal surface texture parameters, focusing on the definitions of the parameters and giving details of the numerical algorithms employed in the software to implement those definitions. The reference software is used as a benchmark against which software in a measuring instrument can be compared. A data set is used as input to both the software under test and the reference software, and the results delivered by the software under test are compared with those provided by the reference software. This paper presents a comparison of the results returned by the reference software with those reported by proprietary software for surface texture measurement. Differences between the results can be used to identify where algorithms and software for evaluating the parameters differ. They might also be helpful in identifying where parameters are not sufficiently well-defined in standards. (paper)

  17. 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.

  18. 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

  19. Influence of simulation assumptions and input parameters on energy balance calculations of residential buildings

    International Nuclear Information System (INIS)

    Dodoo, Ambrose; Tettey, Uniben Yao Ayikoe; Gustavsson, Leif

    2017-01-01

    In this study, we modelled the influence of different simulation assumptions on energy balances of two variants of a residential building, comprising the building in its existing state and with energy-efficient improvements. We explored how selected parameter combinations and variations affect the energy balances of the building configurations. The selected parameters encompass outdoor microclimate, building thermal envelope and household electrical equipment including technical installations. Our modelling takes into account hourly as well as seasonal profiles of different internal heat gains. The results suggest that the impact of parameter interactions on calculated space heating of buildings is somewhat small and relatively more noticeable for an energy-efficient building in contrast to a conventional building. We find that the influence of parameters combinations is more apparent as more individual parameters are varied. The simulations show that a building's calculated space heating demand is significantly influenced by how heat gains from electrical equipment are modelled. For the analyzed building versions, calculated final energy for space heating differs by 9–14 kWh/m 2 depending on the assumed energy efficiency level for electrical equipment. The influence of electrical equipment on calculated final space heating is proportionally more significant for an energy-efficient building compared to a conventional building. This study shows the influence of different simulation assumptions and parameter combinations when varied simultaneously. - Highlights: • Energy balances are modelled for conventional and efficient variants of a building. • Influence of assumptions and parameter combinations and variations are explored. • Parameter interactions influence is apparent as more single parameters are varied. • Calculated space heating demand is notably affected by how heat gains are modelled.

  20. Effects of process parameters on surface roughness in abrasive waterjet cutting of aluminium

    Science.gov (United States)

    Chithirai Pon Selvan, M.; Mohana Sundara Raju, N.; Sachidananda, H. K.

    2012-12-01

    Abrasive waterjet cutting is a novel machining process capable of processing wide range of hard-to-cut materials. Surface roughness of machined parts is one of the major machining characteristics that play an important role in determining the quality of engineering components. This paper shows the influence of process parameters on surface roughness ( R a) which is an important cutting performance measure in abrasive waterjet cutting of aluminium. Taguchi's design of experiments was carried out in order to collect surface roughness values. Experiments were conducted in varying water pressure, nozzle traverse speed, abrasive mass flow rate and standoff distance for cutting aluminium using abrasive waterjet cutting process. The effects of these parameters on surface roughness have been studied based on the experimental results.

  1. A general scheme for the estimation of oxygen binding energies on binary transition metal surface alloys

    DEFF Research Database (Denmark)

    Greeley, Jeffrey Philip; Nørskov, Jens Kehlet

    2005-01-01

    A simple scheme for the estimation of oxygen binding energies on transition metal surface alloys is presented. It is shown that a d-band center model of the alloy surfaces is a convenient and appropriate basis for this scheme; variations in chemical composition, strain effects, and ligand effects...... are all incorporated into the binding energy analysis through this parameter. With few exceptions, the agreement of the results from the simple model with full DFT calculations on hundreds of binary surface alloys is remarkable. The scheme should therefore provide a fast and effective method...... for the estimation of oxygen binding energies on a wide variety of transition metal alloys. (c) 2005 Elsevier B.V. All rights reserved....

  2. Experimental determination of the thermal contact conductance between two solid surfaces by the energy pulse technique

    International Nuclear Information System (INIS)

    Rubin, Gerson Antonio

    1979-01-01

    An experimental procedure for the determination of the thermal contact conductance between two solid surfaces as a function of the contact pressure and the energy of the laser radiation has been developed using the laser pulse method. A rubi laser with variable energy levels was employed as a radiating pulse energy source. The laser beam was allowed to impinge perpendicularly on the front face of a electrolytic iron 73 4 . The temperature fluctuations resulting on the back surface of the sample was detected by a thermocouple, which Is coupled to a PDP-11/45 Computer 32 Kbytes of memory, through a Analog-Digital Converter. A theoretical function, derived exclusively for the problem mentioned in this work, was adjusted by a method of least square fitting of experimental results. This adjustment yielded the value of a parameter related to the contact conductance between two surfaces. The experimental error obtained for the thermal contact conductance was +- 4.9%. (author)

  3. Role of roughness parameters on the tribology of randomly nano-textured silicon surface.

    Science.gov (United States)

    Gualtieri, E; Pugno, N; Rota, A; Spagni, A; Lepore, E; Valeri, S

    2011-10-01

    This experimental work is oriented to give a contribution to the knowledge of the relationship among surface roughness parameters and tribological properties of lubricated surfaces; it is well known that these surface properties are strictly related, but a complete comprehension of such correlations is still far to be reached. For this purpose, a mechanical polishing procedure was optimized in order to induce different, but well controlled, morphologies on Si(100) surfaces. The use of different abrasive papers and slurries enabled the formation of a wide spectrum of topographical irregularities (from the submicro- to the nano-scale) and a broad range of surface profiles. An AFM-based morphological and topographical campaign was carried out to characterize each silicon rough surface through a set of parameters. Samples were subsequently water lubricated and tribologically characterized through ball-on-disk tribometer measurements. Indeed, the wettability of each surface was investigated by measuring the water droplet contact angle, that revealed a hydrophilic character for all the surfaces, even if no clear correlation with roughness emerged. Nevertheless, this observation brings input to the purpose, as it allows to exclude that the differences in surface profile affect lubrication. So it is possible to link the dynamic friction coefficient of rough Si samples exclusively to the opportune set of surface roughness parameters that can exhaustively describe both height amplitude variations (Ra, Rdq) and profile periodicity (Rsk, Rku, Ic) that influence asperity-asperity interactions and hydrodynamic lift in different ways. For this main reason they cannot be treated separately, but with dependent approach through which it was possible to explain even counter intuitive results: the unexpected decreasing of friction coefficient with increasing Ra is justifiable by a more consistent increasing of kurtosis Rku.

  4. Influence of the Surface and Cloud Nonuniformities in the Solar Energy Fluxes in the Arctic

    Science.gov (United States)

    Rozwadowska, A.; Cahalan, R. F.; Einaudi, Franco (Technical Monitor)

    2000-01-01

    Solar energy fluxes reaching the surface and absorbed by it are basic components of the energy balance of the Arctic. They depend mainly on the solar zenith angle, a state of the atmosphere, especially the cloudiness, and the surface albedo. However, they can also be modified by variabilities in the surface albedo and cloud optical thickness. The surface of the Arctic can be highly nonuniform. The surface of the Arctic Ocean, which covers the huge part of the Arctic can be view as a mosaic of sea water, sea ice, snow and, in the melting period, melting ponds. In our paper, results are presented of Monte Carlo simulations of the expected influence of nonuniform cloud structure and nonuniform surface albedo on radiative fluxes at the Arctic surface. In particular, the plane parallel biases in the surface absorptance and atmospheric transmittance are studied. The bias is defined as the difference between the real absorptance or transmittance (i.e. nonuniform conditions) averaged over a given area, and the uniform or plane parallel case with the same mean cloud optical thickness and the same mean surface albedo. The dependence of the biases is analysed with respect to the following: domain averaged values of the cloud optical thickness and surface albedo, scales of their spatial variabilities, correlation between cloud optical thickness and cloud albedo variabilities, cloud height, and the solar zenith angle. Ranges of means and standard deviations of the input parameters typical of Arctic conditions are obtained from the SHEBA experiment.

  5. Sensitivity analysis of efficiency thermal energy storage on selected rock mass and grout parameters using design of experiment method

    International Nuclear Information System (INIS)

    Wołoszyn, Jerzy; Gołaś, Andrzej

    2014-01-01

    Highlights: • Paper propose a new methodology to sensitivity study of underground thermal storage. • Using MDF model and DOE technique significantly shorter of calculations time. • Calculation of one time step was equal to approximately 57 s. • Sensitivity study cover five thermo-physical parameters. • Conductivity of rock mass and grout material have a significant impact on efficiency. - Abstract: The aim of this study was to investigate the influence of selected parameters on the efficiency of underground thermal energy storage. In this paper, besides thermal conductivity, the effect of such parameters as specific heat, density of the rock mass, thermal conductivity and specific heat of grout material was investigated. Implementation of this objective requires the use of an efficient computational method. The aim of the research was achieved by using a new numerical model, Multi Degree of Freedom (MDF), as developed by the authors and Design of Experiment (DoE) techniques with a response surface. The presented methodology can significantly reduce the time that is needed for research and to determine the effect of various parameters on the efficiency of underground thermal energy storage. Preliminary results of the research confirmed that thermal conductivity of the rock mass has the greatest impact on the efficiency of underground thermal energy storage, and that other parameters also play quite significant role

  6. Satellite remotely-sensed land surface parameters and their climatic effects for three metropolitan regions

    Science.gov (United States)

    Xian, George

    2008-01-01

    By using both high-resolution orthoimagery and medium-resolution Landsat satellite imagery with other geospatial information, several land surface parameters including impervious surfaces and land surface temperatures for three geographically distinct urban areas in the United States – Seattle, Washington, Tampa Bay, Florida, and Las Vegas, Nevada, are obtained. Percent impervious surface is used to quantitatively define the spatial extent and development density of urban land use. Land surface temperatures were retrieved by using a single band algorithm that processes both thermal infrared satellite data and total atmospheric water vapor content. Land surface temperatures were analyzed for different land use and land cover categories in the three regions. The heterogeneity of urban land surface and associated spatial extents were shown to influence surface thermal conditions because of the removal of vegetative cover, the introduction of non-transpiring surfaces, and the reduction in evaporation over urban impervious surfaces. Fifty years of in situ climate data were integrated to assess regional climatic conditions. The spatial structure of surface heating influenced by landscape characteristics has a profound influence on regional climate conditions, especially through urban heat island effects.

  7. Disappearance of flow as a function of impact parameter and energy in nucleus-nucleus collisions

    International Nuclear Information System (INIS)

    Sullivan, J.P.; Peter, J.; Cussol, D.; Bizard, G.; Brou, R.; Louvel, M.; Patry, J.P.; Regimbart, R.; Steckmeyer, J.C.; Tamain, B.; Cassagnou, Y.; Legrain, R.; Rosato, E.; Hagel, K.; Jin, G.M.; Crema, E.

    1990-05-01

    The dependence of collective nuclear flow on impact parameter and beam energy from 25 to 85 MeV/u has been measured for Ar + Al with the 4π array Mur + Tonneau. The flow of the particles emitted from the interaction region is attributed to scattering at negative angles. When the energy increases, compression gradually opposes this negative scattering, until the flow falls to zero. This is obtained at a beam energy in the range 70-80 MeV/u for impact parameters below 2 fm and increases with the impact parameter. This study as a function of the impact parameter and the energy should allow information both on the nucleon-nucleon cross section in medium and the EOS of nuclear matter to be obtained

  8. 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...

  9. 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.

  10. 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.

  11. 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

  12. 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

  13. 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

  14. 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)

  15. 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...

  16. 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.

  17. 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.

  18. 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....

  19. 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

  20. 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

  1. 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.

  2. 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.

  3. 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

  4. 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.

  5. Analysis on Binding Energy and Auger Parameter for Estimating Size and Stoichiometry of ZnO Nanorods

    Directory of Open Access Journals (Sweden)

    Santanu Bera

    2012-01-01

    Full Text Available ZnO nanorods prepared through chemical vapor deposition technique are characterized by microscopic and X-ray photoelectron spectroscopy (XPS techniques to correlate the effects of size on the binding energy of Zn 2p3/2 photoelectrons. A positive shift in Zn 2p3/2-binding energy as compared to that in bulk ZnO is assumed to be the effect of size of ZnO tips. The shift in binding energy has been explained in terms of relaxation energy in the photoemission process. Simultaneously, Auger parameter of the nanorods is evaluated for stoichiometric composition. The extra peak in O1s spectrum of nanorods is explained as adsorbed O-bearing species or surface contaminants.

  6. 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

  7. 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

  8. Optimization of Key Parameters of Energy Management Strategy for Hybrid Electric Vehicle Using DIRECT Algorithm

    Directory of Open Access Journals (Sweden)

    Jingxian Hao

    2016-11-01

    Full Text Available The rule-based logic threshold control strategy has been frequently used in energy management strategies for hybrid electric vehicles (HEVs owing to its convenience in adjusting parameters, real-time performance, stability, and robustness. However, the logic threshold control parameters cannot usually ensure the best vehicle performance at different driving cycles and conditions. For this reason, the optimization of key parameters is important to improve the fuel economy, dynamic performance, and drivability. In principle, this is a multiparameter nonlinear optimization problem. The logic threshold energy management strategy for an all-wheel-drive HEV is comprehensively analyzed and developed in this study. Seven key parameters to be optimized are extracted. The optimization model of key parameters is proposed from the perspective of fuel economy. The global optimization method, DIRECT algorithm, which has good real-time performance, low computational burden, rapid convergence, is selected to optimize the extracted key parameters globally. The results show that with the optimized parameters, the engine operates more at the high efficiency range resulting into a fuel savings of 7% compared with non-optimized parameters. The proposed method can provide guidance for calibrating the parameters of the vehicle energy management strategy from the perspective of fuel economy.

  9. Optimisation of wire-cut EDM process parameter by Grey-based response surface methodology

    Science.gov (United States)

    Kumar, Amit; Soota, Tarun; Kumar, Jitendra

    2018-03-01

    Wire electric discharge machining (WEDM) is one of the advanced machining processes. Response surface methodology coupled with Grey relation analysis method has been proposed and used to optimise the machining parameters of WEDM. A face centred cubic design is used for conducting experiments on high speed steel (HSS) M2 grade workpiece material. The regression model of significant factors such as pulse-on time, pulse-off time, peak current, and wire feed is considered for optimising the responses variables material removal rate (MRR), surface roughness and Kerf width. The optimal condition of the machining parameter was obtained using the Grey relation grade. ANOVA is applied to determine significance of the input parameters for optimising the Grey relation grade.

  10. Distributions of grain parameters on the surface of aircraft engine turbine blades

    Directory of Open Access Journals (Sweden)

    J. Chmiela

    2010-10-01

    Full Text Available In the quality assurance system for components cast using the lost wax method, the object of evaluation is the grain size on the surface of the casting. This paper describes a new method for evaluating the primary grain parameters on the surface of aircraft engine turbine blades. Effectiveness of the method has been tested on two macrostructures distinguished by a high degree of diversity in the grain size. The grounds for evaluating the grain parameters consist of geometric measurement of the turbine blade using a laser profilometer and of approximation of the measurement results using a polynomial of a proper degree. The so obtained analytical non-planar surface serves as a reference point for an assessment of the parameters of grains observed on the real blade surface of a variable curvature. The aspects subjected to evaluation included: the grain areas, shape and elongation coefficients of grains on a non-planar surface of the blade airfoil, using measurements taken on a perpendicular projection by means of a stereoscopic microscope and image analysis methods, and by making calculations using the Mathematica® package.

  11. Statistical analysis of surface roughness in turning based on cutting parameters and tool vibrations with response surface methodology (RSM)

    Science.gov (United States)

    Touati, Soufiane; Mekhilef, Slimane

    2018-03-01

    In this paper, we present an experimental study to determine the effect of the cutting conditions and tool vibration on the surface roughness in finish turning of 32CrMoV12-28 steel, using carbide cutting tool YT15. For these purposes, a linear quadratic model in interaction of connecting surface roughness (Ra, Rz) with different combinations of cutting parameters such as cutting speed, feed rate, depth of cut and tool vibration, in radial and in tangential cutting force directions (Vy) and (Vz) is elaborated. In order to express the degree of interaction of cutting parameters and tool vibration, a multiple linear regression and response surface methodology are adopted. The application of this statistical technique for predicting the surface roughness shows that the feed rate is the most dominant factor followed by the cutting speed. However, the depth of the cut and tool vibrations have secondary effect. The presented models have some interest since they are used in the cutting process optimization.

  12. Estimation of CE–CVM energy parameters from miscibility gap data

    Indian Academy of Sciences (India)

    Unknown

    using CE–CVM free energy functions for bcc and fcc structures in the tetrahedron and tetrahedron– octahedron approximations, respectively. ... CVM formulations for disordered binary bcc (Ackerman. *Author for correspondence ... function of the model energy parameters (ei), the macro- scopic variables (composition, xB ...

  13. Determination of surface parameters and fluxes for climate studies from space observation. Methods, results and problems

    Science.gov (United States)

    Becker, F.; Seguin, B.

    Climate being the result of many interconnected processes, it can hardly be understood without models which describe these various processes as quantitatively as possible and define the parameters which are relevant for climate studies. Among those, surface processes and therefore surface parameters are now recognized to be of great importance. Some examples are discussed in the first part, showing the great interest to measure the relevant parameters on a multi-year basis, over large areas with sufficiently dense array and on a stable basis, in order to monitor climate changes or to study the impact on climate of the modifications of some relevant parameters which are analysed. Since space observations from satellites fulfil these requirements, it is clear that they will become very soon a fundamental tool for climate studies. Unfortunately, as it is discussed in the second part, satellites do measure only spectral radiances at the top of the atmosphere and the determination of the relevant surface parameters (or fluxes) from these radiances still raises many problems which have to be solved, although many progresses have already been made. The aim of this paper is therefore to review and discuss these problems and the various ways they have been tackled until now. The first part is devoted to an overview of what needs to be measured and why, while the existing methods for determining the most important surface parameters from space observations are presented in the second part where a particular attention is given to the theoretical and experimental validations of these methods, their limits and the problems still to be solved.

  14. 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...

  15. 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 ...

  16. 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, ...

  17. 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...

  18. 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.

  19. 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.

  20. 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 ...

  1. Parameters of the center of pressure displacement on the saddle during hippotherapy on different surfaces

    Directory of Open Access Journals (Sweden)

    Fabiana M. Flores

    2015-06-01

    Full Text Available Background: Hippotherapy uses horseback riding movements for therapeutic purposes. In addition to the horse's movement, the choice of equipment and types of floor are also useful in the intervention. The quantification of dynamic parameters that define the interaction of the surface of contact between horse and rider provides insight into how the type of floor surface variations act upon the subject's postural control. Objective: To test whether different types of surfaces promote changes in the amplitude (ACOP and velocity (VCOP of the center of pressure (COP displacement during the rider's contact with the saddle on the horse's back. Method: Twenty two healthy adult male subjects with experience in riding were evaluated. The penetration resistances of asphalt, sand and grass surfaces were measured. The COP data were collected on the three surfaces using a pressure measurement mat. Results: ACOP values were higher in sand, followed by grass and asphalt, with significant differences between sand and asphalt (anteroposterior, p=0.042; mediolateral, p=0.019. The ACOP and VCOP values were higher in the anteroposterior than in the mediolateral direction on all surfaces (ACOP, p=0.001; VCOP, p=0.006. The VCOP did not differ between the surfaces. Conclusion: Postural control, measured by the COP displacement, undergoes variations in its amplitude as a result of the type of floor surface. Therefore, these results reinforce the importance of the choice of floor surface when defining the strategy to be used during hippotherapy intervention.

  2. Parameters of the center of pressure displacement on the saddle during hippotherapy on different surfaces.

    Science.gov (United States)

    Flores, Fabiana M; Dagnese, Frederico; Mota, Carlos B; Copetti, Fernando

    2015-01-01

    Hippotherapy uses horseback riding movements for therapeutic purposes. In addition to the horse's movement, the choice of equipment and types of floor are also useful in the intervention. The quantification of dynamic parameters that define the interaction of the surface of contact between horse and rider provides insight into how the type of floor surface variations act upon the subject's postural control. To test whether different types of surfaces promote changes in the amplitude (ACOP) and velocity (VCOP) of the center of pressure (COP) displacement during the rider's contact with the saddle on the horse's back. Twenty two healthy adult male subjects with experience in riding were evaluated. The penetration resistances of asphalt, sand and grass surfaces were measured. The COP data were collected on the three surfaces using a pressure measurement mat. ACOP values were higher in sand, followed by grass and asphalt, with significant differences between sand and asphalt (anteroposterior, p=0.042; mediolateral, p=0.019). The ACOP and VCOP values were higher in the anteroposterior than in the mediolateral direction on all surfaces (ACOP, p=0.001; VCOP, p=0.006). The VCOP did not differ between the surfaces. Postural control, measured by the COP displacement, undergoes variations in its amplitude as a result of the type of floor surface. Therefore, these results reinforce the importance of the choice of floor surface when defining the strategy to be used during hippotherapy intervention.

  3. 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

  4. The need for control of magnetic parameters for energy efficient performance of magnetic tunnel junctions

    Science.gov (United States)

    Farhat, I. A. H.; Gale, E.; Alpha, C.; Isakovic, A. F.

    2017-07-01

    Optimizing energy performance of Magnetic Tunnel Junctions (MTJs) is the key for embedding Spin Transfer Torque-Random Access Memory (STT-RAM) in low power circuits. Due to the complex interdependencies of the parameters and variables of the device operating energy, it is important to analyse parameters with most effective control of MTJ power. The impact of threshold current density, Jco , on the energy and the impact of HK on Jco are studied analytically, following the expressions that stem from Landau-Lifshitz-Gilbert-Slonczewski (LLGS-STT) model. In addition, the impact of other magnetic material parameters, such as Ms , and geometric parameters such as tfree and λ is discussed. Device modelling study was conducted to analyse the impact at the circuit level. Nano-magnetism simulation based on NMAGTM package was conducted to analyse the impact of controlling HK on the switching dynamics of the film.

  5. Influence of domestic hot water parameters on the energy consumption of large buildings in Senegal

    International Nuclear Information System (INIS)

    Ndoye, Banda; Sarr, Mamadou

    2003-01-01

    This paper investigates the effects of domestic hot water (DHW) parameters on the energy consumption of large buildings in Senegal. Three types of reference buildings have been selected and developed (residence, office and hotel), and for each of them, the standard values of the three studied parameters (distribution temperature, flow rate and heat tank losses) are defined. The DOE-2.1E building energy program has been employed for computer simulations. It has been found that if the magnitude of their positive incremental impact is considered, the DHW parameters can be classified according to the following decreasing order: 1. heat tank losses, 2. flow rate and 3. distribution temperature. Then, for each of the three types of buildings, we established a discrete series of options of electricity consumption reduction by limitation of the DHW parameters values. For further developments, these options can be employed by researchers to build an Energy Efficiency Code applicable to large buildings in West Africa

  6. Simultaneous inversion of multiple land surface parameters from MODIS optical-thermal observations

    Science.gov (United States)

    Ma, Han; Liang, Shunlin; Xiao, Zhiqiang; Shi, Hanyu

    2017-06-01

    Land surface parameters from remote sensing observations are critical in monitoring and modeling of global climate change and biogeochemical cycles. Current methods for estimating land surface variables usually focus on individual parameters separately even from the same satellite observations, resulting in inconsistent products. Moreover, no efforts have been made to generate global products from integrated observations from the optical to Thermal InfraRed (TIR) spectrum. Particularly, Middle InfraRed (MIR) observations have received little attention due to the complexity of the radiometric signal, which contains both reflected and emitted radiation. In this paper, we propose a unified algorithm for simultaneously retrieving six land surface parameters - Leaf Area Index (LAI), Fraction of Absorbed Photosynthetically Active Radiation (FAPAR), land surface albedo, Land Surface Emissivity (LSE), Land Surface Temperature (LST), and Upwelling Longwave radiation (LWUP) by exploiting MODIS visible-to-TIR observations. We incorporate a unified physical radiative transfer model into a data assimilation framework. The MODIS visible-to-TIR time series datasets include the daily surface reflectance product and MIR-to-TIR surface radiance, which are atmospherically corrected from the MODIS data using the Moderate Resolution Transmittance program (MODTRAN, ver. 5.0). LAI was first estimated using a data assimilation method that combines MODIS daily reflectance data and a LAI phenology model, and then the LAI was input to the unified radiative transfer model to simulate spectral surface reflectance and surface emissivity for calculating surface broadband albedo and emissivity, and FAPAR. LST was estimated from the MIR-TIR surface radiance data and the simulated emissivity, using an iterative optimization procedure. Lastly, LWUP was estimated using the LST and surface emissivity. The retrieved six parameters were extensively validated across six representative sites with

  7. 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.

  8. Observations of the atmospheric surface layer parameters during the total solar eclipse of March 29th, in Greece

    Energy Technology Data Exchange (ETDEWEB)

    Founda, Dimitra; Lykoudis, Spyridon; Psiloglou, Basil E.; Petrakis, Michael; Zerefos, Christos [Inst. for Environmental Research and Sustainable Development, National Observatory of Athens (Greece)

    2009-10-15

    This study examines the effect of the total solar eclipse of March 29{sup th} 2006, on some parameters of the atmospheric surface layer. The eclipse effects on the mean, but also turbulent parameters of the wind were studied at Kastelorizo, a small island of southeastern Greece situated within the totality path of the eclipse. Although the eclipse effect on the mean flow was partly masked by the synoptic situation, the analysis of the intensive (high frequency) wind measurements showed a decrease of the turbulent processes with reduced values of the turbulent kinetic energy and shear stress for a short period around the maximum phase of the eclipse. The buoyancy flux decreased by one order of magnitude during the phenomenon. The power spectra of the three wind components were found to be lower by almost one order of magnitude near the total phase when compared to spectra after the end of the eclipse. (orig.)

  9. Effect of processing parameters of rotary ultrasonic machining on surface integrity of potassium dihydrogen phosphate crystals

    Directory of Open Access Journals (Sweden)

    Jianfu Zhang

    2015-09-01

    Full Text Available Potassium dihydrogen phosphate is an important optical crystal. However, high-precision processing of large potassium dihydrogen phosphate crystal workpieces is difficult. In this article, surface roughness and subsurface damage characteristics of a (001 potassium dihydrogen phosphate crystal surface produced by traditional and rotary ultrasonic machining are studied. The influence of process parameters, including spindle speed, feed speed, type and size of sintered diamond wheel, ultrasonic power, and selection of cutting fluid on potassium dihydrogen phosphate crystal surface integrity, was analyzed. The surface integrity, especially the subsurface damage depth, was affected significantly by the ultrasonic power. Metal-sintered diamond tools with high granularity were most suitable for machining potassium dihydrogen phosphate crystal. Cutting fluid played a key role in potassium dihydrogen phosphate crystal machining. A more precise surface can be obtained in machining with a higher spindle speed, lower feed speed, and using kerosene as cutting fluid. Based on the provided optimized process parameters for machining potassium dihydrogen phosphate crystal, a processed surface quality with Ra value of 33 nm and subsurface damage depth value of 6.38 μm was achieved.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. Quantitative estimation of the parameters for self-motion driven by difference in surface tension.

    Science.gov (United States)

    Suematsu, Nobuhiko J; Sasaki, Tomohiro; Nakata, Satoshi; Kitahata, Hiroyuki

    2014-07-15

    Quantitative information on the parameters associated with self-propelled objects would enhance the potential of this research field; for example, finding a realistic way to develop a functional self-propelled object and quantitative understanding of the mechanism of self-motion. We therefore estimated five main parameters, including the driving force, of a camphor boat as a simple self-propelled object that spontaneously moves on water due to difference in surface tension. The experimental results and mathematical model indicated that the camphor boat generated a driving force of 4.2 μN, which corresponds to a difference in surface tension of 1.1 mN m(-1). The methods used in this study are not restricted to evaluate the parameters of self-motion of a camphor boat, but can be applied to other self-propelled objects driven by difference in surface tension. Thus, our investigation provides a novel method to quantitatively estimate the parameters for self-propelled objects driven by the interfacial tension difference.

  15. Use of low energy alkali ion scattering as a probe of surface structure

    International Nuclear Information System (INIS)

    Overbury, S.H.

    1986-01-01

    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 distributions are discussed in terms of advantages and disadvantages of each. The scattering potential which is the primary non-structural parameter needed for analysis, is discussed in terms of recent experimental results. The structure 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 unreconstructed Mo(111) surfaces, and to ordering of adsorbates on Mo(001). 47 refs., 12 figs

  16. Surface density: a new parameter in the fundamental metallicity relation of star-forming galaxies

    Science.gov (United States)

    Hashimoto, Tetsuya; Goto, Tomotsugu; Momose, Rieko

    2018-04-01

    Star-forming galaxies display a close relation among stellar mass, metallicity, and star formation rate (or molecular-gas mass). This is known as the fundamental metallicity relation (FMR) (or molecular-gas FMR), and it has a profound implication on models of galaxy evolution. However, there still remains a significant residual scatter around the FMR. We show here that a fourth parameter, the surface density of stellar mass, reduces the dispersion around the molecular-gas FMR. In a principal component analysis of 29 physical parameters of 41 338 star-forming galaxies, the surface density of stellar mass is found to be the fourth most important parameter. The new 4D fundamental relation forms a tighter hypersurface that reduces the metallicity dispersion to 50 per cent of that of the molecular-gas FMR. We suggest that future analyses and models of galaxy evolution should consider the FMR in a 4D space that includes surface density. The dilution time-scale of gas inflow and the star-formation efficiency could explain the observational dependence on surface density of stellar mass.

  17. Influence of autoclave sterilization on the surface parameters and mechanical properties of six orthodontic wires.

    Science.gov (United States)

    Pernier, C; Grosgogeat, B; Ponsonnet, L; Benay, G; Lissac, M

    2005-02-01

    Orthodontic wires are frequently packaged in individual sealed bags in order to avoid cross-contamination. The instructions on the wrapper generally advise autoclave sterilization of the package and its contents if additional protection is desired. However, sterilization can modify the surface parameters and the mechanical properties of many types of material. The aim of this research was to determine the influence of one of the most widely used sterilization processes, autoclaving (18 minutes at 134 degrees C, as recommended by the French Ministry of Health), on the surface parameters and mechanical properties of six wires currently used in orthodontics (one stainless steel alloy: Tru-Chrome RMO; two nickel-titanium shape memory alloys: Neo Sentalloy and Neo Sentalloy with Ionguard GAC; and three titanium-molybdenum alloys: TMA(R) and Low Friction TMA Ormco and Resolve GAC). The alloys were analysed on receipt and after sterilization, using surface structure observation techniques, including optical, scanning electron and atomic force microscopy and profilometry. The mechanical properties were assessed by three-point bending tests. The results showed that autoclave sterilization had no adverse effects on the surface parameters or on the selected mechanical properties. This supports the possibility for practitioners to systematically sterilize wires before placing them in the oral environment.

  18. 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

  19. 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.

  20. Trend-surface analysis of morphometric parameters: A case study in southeastern Brazil

    Science.gov (United States)

    Grohmann, Carlos Henrique

    2005-10-01

    Trend-surface analysis was carried out on data from morphometric parameters isobase and hydraulic gradient. The study area, located in the eastern border of Quadrilátero Ferrífero, southeastern Brazil, presents four main geomorphological units, one characterized by fluvial dissection, two of mountainous relief, with a scarp of hundreds of meters of fall between them, and a flat plateau in the central portion of the fluvially dissected terrains. Morphometric maps were evaluated in GRASS-GIS and statistics were made on R statistical language, using the spatial package. Analysis of variance (ANOVA) was made to test the significance of each surface and the significance of increasing polynomial degree. The best results were achieved with sixth-order surface for isobase and second-order surface for hydraulic gradient. Shape and orientation of residual maps contours for selected trends were compared with structures inferred from several morphometric maps, and a good correlation is present.

  1. Satellite remotely-sensed land surface parameters and their climatic effects on urban areas

    Science.gov (United States)

    Zoran, M.; Savastru, R.; Savastru, D.; Ciobanu, M.; Tautan, M. N.; Miclos, S.

    2009-04-01

    Rapid urbanization transforms the natural landscape to anthropogenic urban land and changes surface biogeophysical characteristics.Urban growth affects the ecology of cities in a number of ways, such as eliminating and fragmenting native habitats, modifying local climate conditions, and generating anthropogenic pollutants.Urbanization has changed many landscapes throughout the world with serious ecological consequences.To understand the ecology of urban systems, it is necessary to quantify the spatial and temporal patterns of urbanization, which often requires dynamic modeling and spatial analysis. Geospatial information provided by satellite remote sensing sensors and biogeophysical field data are very useful for urban landuse-landcover dynamics and impacts analysis. The spatial and spectral variability of urban environments present fundamental challenges to deriving accurate remote sensing information for urban areas. By integrating high-resolution and medium-resolution satellite imagery with other geospatial information, have been investigated several land surface parameters including impervious surfaces and land surface temperatures for Bucharest metropolitan area in Romania. Percent impervious surface was used to quantitatively define the spatial extent and development density of urban land use. Land surface temperatures were retrieved by using a single band algorithm that processes both thermal infrared satellite data and total atmospheric water vapour content. Land surface temperatures have been analysed for different land use and land cover categories both in urban as well as in periurban areas. Because of the removal of vegetative cover and the reduction in evaporation over urban impervious surfaces, the urban heterogeneity of land surface and associated spatial extents influence surface thermal conditions. In situ meteorological data were integrated to assess regional climatic conditions. The spatial structure of surface heating influenced by landscape

  2. Formation of nanostructures on HOPG surface in presence of surfactant atom during low energy ion irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Ranjan, M., E-mail: ranjanm@ipr.res.in; Joshi, P.; Mukherjee, S.

    2016-07-15

    Low energy ions beam often develop periodic patterns on surfaces under normal or off-normal incidence. Formation of such periodic patterns depends on the substrate material, the ion beam parameters, and the processing conditions. Processing conditions introduce unwanted contaminant atoms, which also play strong role in pattern formation by changing the effective sputtering yield of the material. In this work we have analysed the effect of Cu, Fe and Al impurities introduced during low energy Ar{sup +} ion irradiation on HOPG substrate. It is observed that by changing the species of foreign atoms the surface topography changes drastically. The observed surface topography is co-related with the modified sputtering yield of HOPG. Presence of Cu and Fe amplify the effective sputtering yield of HOPG, so that the required threshold for the pattern formation is achieved with the given fluence, whereas Al does not lead to any significant change in the effective yield and hence no pattern formation occurs.

  3. The Energy Required to Produce Materials: Constraints on Energy Intensity Improvements, Parameters of Demand

    NARCIS (Netherlands)

    Gutowski, T.G.; Sahni, S.; Allwood, J.M.; Ashby, M.F.; Worrell, E.|info:eu-repo/dai/nl/106856715

    2013-01-01

    In this paper, we review the energy requirements to make materials on a global scale by focusing on the five construction materials that dominate energy used in material production: steel, cement, paper, plastics and aluminium. We then estimate the possibility of reducing absolute material

  4. 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.

  5. Wavelet theory and belt finishing process, influence of wavelet shape on the surface roughness parameter values

    International Nuclear Information System (INIS)

    Khawaja, Z; Mazeran, P-E; Bigerelle, M; Guillemot, G; Mansori, M El

    2011-01-01

    This article presents a multi-scale theory based on wavelet decomposition to characterize the evolution of roughness in relation with a finishing process or an observed surface property. To verify this approach in production conditions, analyses were developed for the finishing process of the hardened steel by abrasive belts. These conditions are described by seven parameters considered in the Tagushi experimental design. The main objective of this work is to identify the most relevant roughness parameter and characteristic length allowing to assess the influence of finishing process, and to test the relevance of the measurement scale. Results show that wavelet approach allows finding this scale.

  6. Warpage minimization on wheel caster by optimizing process parameters using response surface methodology (RSM)

    Science.gov (United States)

    Safuan, N. S.; Fathullah, M.; Shayfull, Z.; Nasir, S. M.; Hazwan, M. H. M.

    2017-09-01

    In injection moulding process, it is important to keep the productivity increase constantly with least of waste produced such as warpage defect. Thus, this study is concerning on minimizing warpage defect on wheel caster part. Apart from eliminating product wastes, this project also giving out best optimization techniques using response surface methodology. This research studied on five parameters A-packing pressure, B-packing time, C-mold temperature, D-melting temperature and E-cooling time. The optimization showed that packing pressure is the most significant parameter. Warpage have been improved 42.64% from 0.6524 mm to 0.3742mm.

  7. Energy loss of MeV protons specularly reflected from metal surfaces

    International Nuclear Information System (INIS)

    Juaristi, J.I.; Garcia de Abajo, F.J.; Echenique, P.M.

    1996-01-01

    A parameter-free model is presented to study the energy loss of fast protons specularly reflected from metal surfaces. The contributions to the energy loss from excitation of valence-band electrons and ionization of localized target-atom electronic states are calculated separately. The former is calculated from the induced surface wake potential using linear response theory and the specular-reflection model, while the latter is calculated in the first Born approximation. The results obtained are in good agreement with available experimental data. However, the experimental qualitative trend of the energy loss as a function of the angle of incidence is obtained when the valence-band electron model is replaced by localized target atom electron states, though with a worse quantitative agreement. copyright 1996 The American Physical Society

  8. Sensitivity of Turbine-Height Wind Speeds to Parameters in Planetary Boundary-Layer and Surface-Layer Schemes in the Weather Research and Forecasting Model

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Ben; Qian, Yun; Berg, Larry K.; Ma, Po-Lun; Wharton, Sonia; Bulaevskaya, Vera; Yan, Huiping; Hou, Zhangshuan; Shaw, William J.

    2016-07-21

    We evaluate the sensitivity of simulated turbine-height winds to 26 parameters applied in a planetary boundary layer (PBL) scheme and a surface layer scheme of the Weather Research and Forecasting (WRF) model over an area of complex terrain during the Columbia Basin Wind Energy Study. An efficient sampling algorithm and a generalized linear model are used to explore the multiple-dimensional parameter space and quantify the parametric sensitivity of modeled turbine-height winds. The results indicate that most of the variability in the ensemble simulations is contributed by parameters related to the dissipation of the turbulence kinetic energy (TKE), Prandtl number, turbulence length scales, surface roughness, and the von Kármán constant. The relative contributions of individual parameters are found to be dependent on both the terrain slope and atmospheric stability. The parameter associated with the TKE dissipation rate is found to be the most important one, and a larger dissipation rate can produce larger hub-height winds. A larger Prandtl number results in weaker nighttime winds. Increasing surface roughness reduces the frequencies of both extremely weak and strong winds, implying a reduction in the variability of the wind speed. All of the above parameters can significantly affect the vertical profiles of wind speed, the altitude of the low-level jet and the magnitude of the wind shear strength. The wind direction is found to be modulated by the same subset of influential parameters. Remainder of abstract is in attachment.

  9. Comparison of segmentation techniques to determine the geometric parameters of structured surfaces

    International Nuclear Information System (INIS)

    MacAulay, Gavin D; Giusca, Claudiu L; Leach, Richard K; Senin, Nicola

    2014-01-01

    Structured surfaces, defined as surfaces characterized by topography features whose shape is defined by design specifications, are increasingly being used in industry for a variety of applications, including improving the tribological properties of surfaces. However, characterization of such surfaces still remains an issue. Techniques have been recently proposed, based on identifying and extracting the relevant features from a structured surface so they can be verified individually, using methods derived from those commonly applied to standard-sized parts. Such emerging approaches show promise but are generally complex and characterized by multiple data processing steps making performance difficult to assess. This paper focuses on the segmentation step, i.e. partitioning the topography so that the relevant features can be separated from the background. Segmentation is key for defining the geometric boundaries of the individual feature, which in turn affects any computation of feature size, shape and localization. This paper investigates the effect of varying the segmentation algorithm and its controlling parameters by considering a test case: a structured surface for bearing applications, the relevant features being micro-dimples designed for friction reduction. In particular, the mechanisms through which segmentation leads to identification of the dimple boundary and influences dimensional properties, such as dimple diameter and depth, are illustrated. It is shown that, by using different methods and control parameters, a significant range of measurement results can be achieved, which may not necessarily agree. Indications on how to investigate the influence of each specific choice are given; in particular, stability of the algorithms with respect to control parameters is analyzed as a means to investigate ease of calibration and flexibility to adapt to specific, application-dependent characterization requirements. (paper)

  10. An evaluation of calculation parameters in the EGSnrc/BEAMnrc Monte Carlo codes and their effect on surface dose calculation

    International Nuclear Information System (INIS)

    Kim, Jung-Ha; Hill, Robin; Kuncic, Zdenka

    2012-01-01

    The Monte Carlo (MC) method has proven invaluable for radiation transport simulations to accurately determine radiation doses and is widely considered a reliable computational measure that can substitute a physical experiment where direct measurements are not possible or feasible. In the EGSnrc/BEAMnrc MC codes, there are several user-specified parameters and customized transport algorithms, which may affect the calculation results. In order to fully utilize the MC methods available in these codes, it is essential to understand all these options and to use them appropriately. In this study, the effects of the electron transport algorithms in EGSnrc/BEAMnrc, which are often a trade-off between calculation accuracy and efficiency, were investigated in the buildup region of a homogeneous water phantom and also in a heterogeneous phantom using the DOSRZnrc user code. The algorithms and parameters investigated include: boundary crossing algorithm (BCA), skin depth, electron step algorithm (ESA), global electron cutoff energy (ECUT) and electron production cutoff energy (AE). The variations in calculated buildup doses were found to be larger than 10% for different user-specified transport parameters. We found that using BCA = EXACT gave the best results in terms of accuracy and efficiency in calculating buildup doses using DOSRZnrc. In addition, using the ESA = PRESTA-I option was found to be the best way of reducing the total calculation time without losing accuracy in the results at high energies (few keV ∼ MeV). We also found that although choosing a higher ECUT/AE value in the beam modelling can dramatically improve computation efficiency, there is a significant trade-off in surface dose uncertainty. Our study demonstrates that a careful choice of user-specified transport parameters is required when conducting similar MC calculations. (note)

  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. Potential Energy Surfaces of the Even-Even 230-238 U Isotopes

    Directory of Open Access Journals (Sweden)

    Sohair M. Diab

    2008-07-01

    Full Text Available Nuclear structure of 230-238 U isotopes hav been studied in the frame work of the interacting boson approximation model (IBM-1. The contour plot of the potential energy surfaces, $V(eta,gamma$, shows that all nuclei are deformed and have rotational characters, $SU(3$. Levels energy spectra belonging to the $gsb$, $eta $, $gamma $ bands, electromagnetic transition rates $B(E1$ and $ B(E2$, quadrupole moment $Q_0 $, deformation parameter are $eta_2$ and the strength of the electric monopole transitions $X(E0/E2$ are calculated. The calculated values are compared with the available theoretical and experimental data and show reasonable agreement.

  13. 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

  14. 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.

  15. Can the dark energy equation-of-state parameter w be less than -1?

    International Nuclear Information System (INIS)

    Carroll, Sean M.; Hoffman, Mark; Trodden, Mark

    2003-01-01

    Models of dark energy are conveniently characterized by the equation-of-state parameter w=p/ρ, where ρ is the energy density and p is the pressure. Imposing the dominant energy condition, which guarantees stability of the theory, implies that w≥-1. Nevertheless, it is conceivable that a well-defined model could (perhaps temporarily) have w -3 eV. We conclude that it is difficult, although not necessarily impossible, to construct viable models of dark energy with w<-1; observers should keep an open mind, but the burden is on theorists to demonstrate that any proposed new models are not ruled out by rapid vacuum decay

  16. 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.

  17. 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)

  18. The effect of cutting parameters on surface integrity in milling TI6AL4V

    Directory of Open Access Journals (Sweden)

    Oosthuizen, Tiaan

    2016-12-01

    Full Text Available The objective of machining performance is to reduce operational costs and to increase the production rate while maintaining or improving the required surface integrity of the machined component. Together with industrial partners, several benchmark titanium components were selected and machined to achieve this. Titanium alloys are used extensively in several industries due to its unique strength-to-weight ratio and corrosion resistance. Its properties, however, also make it susceptible to surface integrity damage during machining operations. The research objectives of this study were to understand the effect of cutting parameters on surface integrity to ensure that machined components are within the required surface quality tolerances. The effect of cutting speed and feed rate on surface roughness, micro-hardness, and the microstructure of the work piece were studied for milling Ti6Al4V. The surface roughness increased with a greater feed rate and a decrease in cutting speed. The maximum micro-hardness was 23 per cent harder than the bulk material. Plastic deformation and grain rotation below the machined surface were found with the rotation of the grain lines in the direction of feed. There was no evidence of subsurface defects for any of the cutting conditions tested.

  19. 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.

  20. 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.)

  1. The Use of Response Surface Methodology to Optimize Parameter Adjustments in CNC Machine Tools

    Directory of Open Access Journals (Sweden)

    Shao-Hsien Chen

    2014-01-01

    Full Text Available This paper mainly covers a research intended to improve the circular accuracy of CNC machine tools and the adjustment and analysis of the main controller parameters applied to improve accuracy. In this study, controller analysis software was used to detect the adjustment status of the servo parameters of the feed axis. According to the FANUC parameter manual, the parameter address, frequency, response measurements, and the one-fourth corner acceleration and deceleration measurements of the machine tools were adjusted. The experimental design (DOE was adopted in this study for taking circular measurements and engaging in the planning and selection of important parameter data. The Minitab R15 software was adopted to predict the experimental data analysis, while the seminormal probability map, Plato, and analysis of variance (ANOVA were adopted to determine the impacts of the significant parameter factors and the interactions among them. Additionally, based on the response surface map and contour plot, the optimal values were obtained. In addition, comparison and verification were conducted through the Taguchi method, regression analysis to improved machining accuracy and efficiency. The unadjusted error was 7.8 μm; through the regression analysis method, the error was 5.8 μm and through the Taguchi analysis method, the error was 6.4 μm.

  2. The effects of computed tomography scanner parameters on the quality of the reverse triangular surface model of the fibula

    Energy Technology Data Exchange (ETDEWEB)

    Hayat, Nasir; Ahmad, Mushtaq, E-mail: nasirhayat@uet.edu.pk [Faculty of Mechanical Engineering, UET, Lahore (Pakistan)

    2016-01-15

    This study investigates the effects of computed tomography (CT) parameters on the quality and size of the reverse triangular surface model with an objective of obtaining an accurate 3D triangular surface model of complex-shaped customized objects for reverse engineering and many other applications such as surgical planning and finite element analysis. For this purpose, the fibula of a human knee joint was CT scanned by changing various parameters (slice thickness, slice spacing, pixel size, X-ray tube current and helical pitch) over wide ranges. Three-dimensional triangular surface models were created from point cloud data extracted from the CT image data. To assess the influences of scanning parameters on the surface quality and accuracy, the resulting surface models were qualitatively compared based on various anatomical features. Statistical analysis was used to quantify the deviations of surface models with different scanning parameter levels from the reference CT surface model. The results show that these parameters to a varying degree affect the surface quality, reproduction of various anatomical details and size of the resulting surface model. Moreover, these parameters are highly dependent on each other. Interactive effects of these parameters have been discussed and recommendations have been made for parameter settings. The results of the study would help to improve the accuracy of the 3D surface models required for customized implants and other applications. (author)

  3. Binding Energy and Dissociation Barrier: Experimental Determination of the Key Parameters of the Potential Energy Curve of Diethyl Ether on Si(001).

    Science.gov (United States)

    Reutzel, Marcel; Lipponer, Marcus; Dürr, Michael; Höfer, Ulrich

    2015-10-01

    The key parameters of the potential energy curve of organic molecules on semiconductor surfaces, binding energy of the intermediate state and dissociation barrier, were experimentally investigated for the model system of diethyl ether (Et2O) on Si(001). Et2O adsorbs via a datively bonded intermediate from which it converts via ether cleavage into a covalently attached final state. This thermally activated conversion into the final state was followed in real-time by means of optical second-harmonic generation (SHG) at different temperatures and the associated energy barrier ϵa = 0.38 ± 0.05 eV and pre-exponential factor νa = 10(4±1) s(-1) were determined. From molecular beam experiments on the initial sticking probability, the difference between the desorption energy ϵd and ϵa was extracted and thus the binding energy of the intermediate state was determined (0.62 ± 0.08 eV). The results are discussed in terms of general chemical trends as well as with respect to a wider applicability on adsorbate reactions on semiconductor surfaces.

  4. The Impact of Economic Parameter Uncertainty Growth on Regional Energy Demand Assessment

    Directory of Open Access Journals (Sweden)

    Olga Vasilyevna Mazurova

    2017-06-01

    Full Text Available The article deals with the forecasting studies based on the energy demand and prices in the region in terms of the complex interconnections between economy (and energy and the growth of uncertainty of the future development of the country and territories. The authors propose a methodological approach, which combines the assessment of the price elasticity of energy demand with the optimization of energy and fuel regional supply. In this case, the price elasticity of demand is determined taking into account the comparison of cost-effectiveness of using different types of fuel and energy by different consumers. The originality of the proposed approach consists in simulating the behaviour of suppliers’ (energy companies and large customers’ (power plants, boiler rooms, industry, transport, population depending on energy price changes, the existing and new technologies, energy-saving activities and restrictions on fuel supplies. To take into account the uncertainty of future economic and energy conditions, some parameters such as prospective technical and economic parameters, price, technological parameters are set as the intervals of possible values with different probability levels. This approach allows making multivariate studies with different combinations of the expected conditions and receiving as a result the range of the projected values of studied indicators. The multivariate calculations show that the fuel demand has a nonlinear dependence on the consumer characteristics, pricing, projection horizon, and the nature of the future conditions uncertainty. The authors have shown that this effect can be significant and should be considered in the forecasts of the development of fuel and energy sector. The methodological approach and quantitative evaluation can be used to improve the economic and energy development strategies of the country and regions

  5. 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.

  6. SEMIC: an efficient surface energy and mass balance model applied to the Greenland ice sheet

    Directory of Open Access Journals (Sweden)

    M. Krapp

    2017-07-01

    Full Text Available We present SEMIC, a Surface Energy and Mass balance model of Intermediate Complexity for snow- and ice-covered surfaces such as the Greenland ice sheet. SEMIC is fast enough for glacial cycle applications, making it a suitable replacement for simpler methods such as the positive degree day (PDD method often used in ice sheet modelling. Our model explicitly calculates the main processes involved in the surface energy and mass balance, while maintaining a simple interface and requiring minimal data input to drive it. In this novel approach, we parameterise diurnal temperature variations in order to more realistically capture the daily thaw–freeze cycles that characterise the ice sheet mass balance. We show how to derive optimal model parameters for SEMIC specifically to reproduce surface characteristics and day-to-day variations similar to the regional climate model MAR (Modèle Atmosphérique Régional, version 2 and its incorporated multilayer snowpack model SISVAT (Soil Ice Snow Vegetation Atmosphere Transfer. A validation test shows that SEMIC simulates future changes in surface temperature and surface mass balance in good agreement with the more sophisticated multilayer snowpack model SISVAT included in MAR. With this paper, we present a physically based surface model to the ice sheet modelling community that is general enough to be used with in situ observations, climate model, or reanalysis data, and that is at the same time computationally fast enough for long-term integrations, such as glacial cycles or future climate change scenarios.

  7. Procedure to approximately estimate the uncertainty of material ratio parameters due to inhomogeneity of surface roughness

    International Nuclear Information System (INIS)

    Hüser, Dorothee; Thomsen-Schmidt, Peter; Hüser, Jonathan; Rief, Sebastian; Seewig, Jörg

    2016-01-01

    Roughness parameters that characterize contacting surfaces with regard to friction and wear are commonly stated without uncertainties, or with an uncertainty only taking into account a very limited amount of aspects such as repeatability of reproducibility (homogeneity) of the specimen. This makes it difficult to discriminate between different values of single roughness parameters. Therefore uncertainty assessment methods are required that take all relevant aspects into account. In the literature this is rarely performed and examples specific for parameters used in friction and wear are not yet given. We propose a procedure to derive the uncertainty from a single profile employing a statistical method that is based on the statistical moments of the amplitude distribution and the autocorrelation length of the profile. To show the possibilities and the limitations of this method we compare the uncertainty derived from a single profile with that derived from a high statistics experiment. (paper)

  8. The Influence Study of Ultrasonic honing parameters to workpiece surface temperature

    Directory of Open Access Journals (Sweden)

    Zhang Xiaoqiang

    2016-01-01

    Full Text Available Ultrasonic vibration honing(UVH, a machine technology, has a lot of advantages. Lower grinding temperature is a significant character and is beneficial for both processing and workpiece surface. But the high temperature caused by big honing pressure becomes the main factor to produce workpiece heat damage in grinding zone. In various honing parameter combinations, the showing effect is different. Based on the thermodynamics classical theory, established the heat transfer equation for grinding zone, simplified the model and obtained the two-dimenssion temperature field expression for workpiece, then simulated the temperature changing trend in a variety of conditions. It is shown that themain temp is in a range of 700K to 1200K. In addition, the variation is huge for every parameter. The study provides a theoretical basis for deeply seeking reasonable machining parameter and obtaining better workpiece quality.

  9. Determination of Elastic Parameters of Near-Surface Layers Over Subsidence Trough Development During Longwall Exploitation

    Science.gov (United States)

    Mendecki, Maciej J.; Jochymczyk, Krzysztof; Zuberek, Wacław M.; Tomaszewska, Radosława

    2017-12-01

    Seismic and geodetic studies were carried out before, during, and after underground exploitation of a coal bed in Katowice - Kleofas Coal Mine, located in the Upper Silesia Coal Basin, Poland. Development of a subsidence trough was completed approximately 3 months after passage of a longwall exploitation in the coal seam. This was the time required for the subsidence trough to appear on the surface, which was confirmed by levelling measurements. Sharp changes in the elastic parameters were observed on each profile during subsidence trough development. This observation can result from changing tension and compression forces caused by increase and/or decrease of the elastic parameters of the rock mass. After completion of subsidence trough development, the rock mass appeared to return to its isotropic state and the observed changes ceased. Some minor fluctuations were noted, but they probably resulted from changes in groundwater levels, which might have affected the measured parameters.

  10. 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.

  11. 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

  12. The effect of drilling parameters for surface roughness in drilling of AA7075 alloy

    Directory of Open Access Journals (Sweden)

    Yaşar Nafiz

    2017-01-01

    Full Text Available AA7075 aluminum alloy has been very popular significantly interest in the production of structural components in automotive and aviation applications due to its high strength, low density, good plasticity and better machinability comparable to many metals. Particularly, final products must have uniformly high quality to ensure essential safety standards in the aircraft industry. The optimization of hole quality which can variable according to tool geometry and drilling parameters is important in spite of high machinability rate of AA7075 alloy. In this study, the effects of drilling parameters on average surface roughness (Ra has been investigated in drilling of AA7075 with tungsten carbide drills. Machining experiments were performed with three different drill point angles and three different levels of cutting parameters (feed rate, cutting speed. The effects of drilling parameters on thrust force has been determined with ANOVA in %95 confidence level. Feed rate was determined as the most important factor on Ra according to ANOVA results. Moreover, it was shown that increasing feed rate leads to increase of Ra while increasing drill point angle leads to decrease of Ra. The optimum surface roughness was obtained with point angle of 130°, cutting speed of 40 m/min and feed rate of 0.1 mm/rev, thereby the validity of optimization was confirmed with Taguchi method.

  13. 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.

  14. 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)

  15. 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.

  16. Multi-parameter geometrical scaledown study for energy optimization of MTJ and related spintronics nanodevices

    Science.gov (United States)

    Farhat, I. A. H.; Alpha, C.; Gale, E.; Atia, D. Y.; Stein, A.; Isakovic, A. F.

    The scaledown of magnetic tunnel junctions (MTJ) and related nanoscale spintronics devices poses unique challenges for energy optimization of their performance. We demonstrate the dependence of the switching current on the scaledown variable, while considering the influence of geometric parameters of MTJ, such as the free layer thickness, tfree, lateral size of the MTJ, w, and the anisotropy parameter of the MTJ. At the same time, we point out which values of the saturation magnetization, Ms, and anisotropy field, Hk, can lead to lowering the switching current and overall decrease of the energy needed to operate an MTJ. It is demonstrated that scaledown via decreasing the lateral size of the MTJ, while allowing some other parameters to be unconstrained, can improve energy performance by a measurable factor, shown to be the function of both geometric and physical parameters above. Given the complex interdependencies among both families of parameters, we developed a particle swarm optimization (PSO) algorithm that can simultaneously lower energy of operation and the switching current density. Results we obtained in scaledown study and via PSO optimization are compared to experimental results. Support by Mubadala-SRC 2012-VJ-2335 is acknowledged, as are staff at Cornell-CNF and BNL-CFN.

  17. Surface Irregularity Factor as a Parameter to Evaluate the Fatigue Damage State of CFRP

    Directory of Open Access Journals (Sweden)

    Pablo Zuluaga-Ramírez

    2015-11-01

    Full Text Available This work presents an optical non-contact technique to evaluate the fatigue damage state of CFRP structures measuring the irregularity factor of the surface. This factor includes information about surface topology and can be measured easily on field, by techniques such as optical perfilometers. The surface irregularity factor has been correlated with stiffness degradation, which is a well-accepted parameter for the evaluation of the fatigue damage state of composite materials. Constant amplitude fatigue loads (CAL and realistic variable amplitude loads (VAL, representative of real in- flight conditions, have been applied to “dog bone” shaped tensile specimens. It has been shown that the measurement of the surface irregularity parameters can be applied to evaluate the damage state of a structure, and that it is independent of the type of fatigue load that has caused the damage. As a result, this measurement technique is applicable for a wide range of inspections of composite material structures, from pressurized tanks with constant amplitude loads, to variable amplitude loaded aeronautical structures such as wings and empennages, up to automotive and other industrial applications.

  18. External Thermal Insulation Composite Systems: Critical Parameters for Surface Hygrothermal Behaviour

    Directory of Open Access Journals (Sweden)

    Eva Barreira

    2014-01-01

    Full Text Available External Thermal Insulation Composite Systems (ETICS are often used in Europe. Despite its thermal advantages, low cost, and ease of application, this system has serious problems of biological growth causing the cladding defacement. Recent studies pointed that biological growth is due to high values of surface moisture content, which mostly results from the combined effect of exterior surface condensation, wind-driven rain, and drying process. Based on numerical simulation, this paper points the most critical parameters involved in hygrothermal behaviour of ETICS, considering the influence of thermal and hygric properties of the external rendering, the effect of the characteristics of the façade, and the consequences of the exterior and interior climate on exterior surface condensation, wind-driven rain, and drying process. The model used was previously validated by comparison with the results of an “in situ” campaign. The results of the sensitivity analyses show that relative humidity and temperature of the exterior air, atmospheric radiation, and emissivity of the exterior rendering are the parameters that most influence exterior surface condensation. Wind-driven rain depends mostly on horizontal rain, building’s height, wind velocity, and orientation. The drying capacity is influenced by short-wave absorbance, incident solar radiation, and orientation.

  19. Evaluating the Surface Topography of Pyrolytic Carbon Finger Prostheses through Measurement of Various Roughness Parameters

    Directory of Open Access Journals (Sweden)

    Andrew Naylor

    2016-04-01

    Full Text Available The articulating surfaces of four different sizes of unused pyrolytic carbon proximal interphalangeal prostheses (PIP were evaluated though measuring several topographical parameters using a white light interferometer: average roughness (Sa; root mean-square roughness (Sq; skewness (Ssk; and kurtosis (Sku. The radii of the articulating surfaces were measured using a coordinate measuring machine, and were found to be: 2.5, 3.3, 4.2 and 4.7 mm for proximal, and 4.0, 5.1, 5.6 and 6.3 mm for medial components. ANOVA was used to assess the relationship between the component radii and each roughness parameter. Sa, Sq and Ssk correlated negatively with radius (p = 0.001, 0.001, 0.023, whilst Sku correlated positively with radius (p = 0.03. Ergo, the surfaces with the largest radii possessed the better topographical characteristics: low roughness, negative skewness, high kurtosis. Conversely, the surfaces with the smallest radii had poorer topographical characteristics.

  20. 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...

  1. Optimal Machining Parameters for Achieving the Desired Surface Roughness in Turning of Steel

    Directory of Open Access Journals (Sweden)

    LB Abhang

    2012-06-01

    Full Text Available Due to the widespread use of highly automated machine tools in the metal cutting industry, manufacturing requires highly reliable models and methods for the prediction of output performance in the machining process. The prediction of optimal manufacturing conditions for good surface finish and dimensional accuracy plays a very important role in process planning. In the steel turning process the tool geometry and cutting conditions determine the time and cost of production which ultimately affect the quality of the final product. In the present work, experimental investigations have been conducted to determine the effect of the tool geometry (effective tool nose radius and metal cutting conditions (cutting speed, feed rate and depth of cut on surface finish during the turning of EN-31 steel. First and second order mathematical models are developed in terms of machining parameters by using the response surface methodology on the basis of the experimental results. The surface roughness prediction model has been optimized to obtain the surface roughness values by using LINGO solver programs. LINGO is a mathematical modeling language which is used in linear and nonlinear optimization to formulate large problems concisely, solve them, and analyze the solution in engineering sciences, operation research etc. The LINGO solver program is global optimization software. It gives minimum values of surface roughness and their respective optimal conditions.

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

    KAUST Repository

    Ng, Kim Choon

    2017-08-31

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

  3. New and updated stellar parameters for 90 transit hosts. The effect of the surface gravity

    Science.gov (United States)

    Mortier, A.; Santos, N. C.; Sousa, S. G.; Fernandes, J. M.; Adibekyan, V. Zh.; Delgado Mena, E.; Montalto, M.; Israelian, G.

    2013-10-01

    Context. Precise stellar parameters are crucial in exoplanet research for correctly determining the planetary parameters. For stars hosting a transiting planet, determining the planetary mass and radius depends on the stellar mass and radius, which in turn depend on the atmospheric stellar parameters. Different methods can provide different results, which leads to different planet characteristics. Aims: In this paper, we use a uniform method to spectroscopically derive stellar atmospheric parameters, chemical abundances, stellar masses, and stellar radii for a sample of 90 transit hosts. Surface gravities are also derived photometrically using the stellar density as derived from the light curve. We study the effect of using these different surface gravities on the determination of the chemical abundances and the stellar mass and radius. Methods: A spectroscopic analysis based on Kurucz models in local thermodynamical equilibrium was performed through the MOOG code to derive the atmospheric parameters and the chemical abundances. The photometric surface gravity was determined through isochrone fitting and the use of the stellar density, directly determined from the light curve. Stellar masses and radii are determined through calibration formulae. Results: Spectroscopic and photometric surface gravities differ, but this has very little effect on the precise determination of the stellar mass in our spectroscopic analysis. The stellar radius, and hence the planetary radius, is most affected by the surface gravity discrepancies. For the chemical abundances, the difference is, as expected, only noticable for the abundances derived from analyzing lines of ionized species. The data presented herein are based on observations collected at the La Silla Paranal Observatory, ESO (Chile) with the FEROS spectrograph at the 2.2-m telescope (ESO runs ID 088.C-0892, 089.C-0444, 090.C-0146) and the HARPS spectrograph at the 3.6-m telescope (ESO archive), the Paranal Observatory, ESO

  4. 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.

  5. Determination of minimum impact parameter by modified touching spheres schemes for intermediate energy Coulomb excitation experiments

    International Nuclear Information System (INIS)

    Kumar, Rajiv; Sharma, Shagun; Singh, Pradeep; Kharab, Rajesh

    2016-01-01

    The energy-independent touching spheres schemes commonly used for the determination of the safe minimum value of the impact parameter for Coulomb excitation experiments are modified through the inclusion of an energy-dependent term. The touching spheres+3fm scheme after modification emerges out to be the best one while touching spheres+4fm scheme is found to be better in its unmodified form. (orig.)

  6. 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.

  7. 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.

  8. Determination of 3D Surface Roughness Parameters by Cross-Section Method

    Science.gov (United States)

    Rudzitis, J.; Krizbergs, J.; Kumermanis, M.; Mozga, N.; Ancans, A.; Leitans, A.

    2014-04-01

    Currently, in the production engineering the surface roughness parameters are estimated in three dimensions, however, the equipment for these measurements is rather expensive and not always available. In many cases to buy such equipment is not economically justified. Therefore, the 3D surface roughness parameters are usually determined from the well-known 2D profile ones using the existing 2D equipment. This could be done best using the cross-section (or profile) method, especially in the case of nanoroughness estimation, with calculation of the mean values for the roughness height, spacing, and shape. This method - though mainly meant for irregular rough surfaces - can also be used for other types of rough surfaces. Particular emphasis is here given to the correlation between the surface cross-section (profile) parameters and 3D parameters as well as to the choice of the number of cross-cuttings and their orientation on the surface. Mūsdienu ražošanā ir nepieciešams novērtēt virsmas raupjuma parametrus trijās dimensijās, tomēr, aprīkojums šādu mērījumu veikšanai ir ļoti dārgs un ne vienmēr pieejams. Tādēļ bieži rodas nepieciešamība noteikt 3D virsmas raupjuma parametrus pēc labi zināmajiem profila (2D) parametriem, izmantojot eksistējošo 2D mērīšanas aprīkojumu. Labākais risinājums šai problēmai ir izmantot 3D raupjuma parametru noteikšanai šķēlumu jeb profilu metodi. Metode uzrāda labus rezultātus arī novērtējot nanoraupjumu. Iespējams aprēķināt sekojošu virsmas raupjuma mikrotopogrāfisko parametru vidējās vērtības: raupjuma augstumu; soļu parametrus un formu. Metode ir paredzēta izmantošanai virsmām ar neregulāru raksturu, bet var tikt pielāgota arī citu tipu virsmām.

  9. 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.

  10. Thermal neutron diffusion parameters dependent on the flux energy distribution in finite hydrogenous media

    International Nuclear Information System (INIS)

    Drozdowicz, K.

    1999-01-01

    Macroscopic parameters for a description of the thermal neutron transport in finite volumes are considered. A very good correspondence between the theoretical and experimental parameters of hydrogenous media is attained. Thermal neutrons in the medium possess an energy distribution, which is dependent on the size (characterized by the geometric buckling) and on the neutron transport properties of the medium. In a hydrogenous material the thermal neutron transport is dominated by the scattering cross section which is strongly dependent on energy. A monoenergetic treatment of the thermal neutron group (admissible for other materials) leads in this case to a discrepancy between theoretical and experimental results. In the present paper the theoretical definitions of the pulsed thermal neutron parameters (the absorption rate, the diffusion coefficient, and the diffusion cooling coefficient) are based on Nelkin's analysis of the decay of a neutron pulse. Problems of the experimental determination of these parameters for a hydrogenous medium are discussed. A theoretical calculation of the pulsed parameters requires knowledge of the scattering kernel. For thermal neutrons it is individual for each hydrogenous material because neutron scattering on hydrogen nuclei bound in a molecule is affected by the molecular dynamics (characterized with internal energy modes which are comparable to the incident neutron energy). Granada's synthetic model for slow-neutron scattering is used. The complete up-dated formalism of calculation of the energy transfer scattering kernel after this model is presented in the paper. An influence of some minor variants within the model on the calculated differential and integral neutron parameters is shown. The theoretical energy-dependent scattering cross section (of Plexiglas) is compared to experimental results. A particular attention is paid to the calculation of the diffusion cooling coefficient. A solution of an equation, which determines the

  11. One-parameter optimization of a nonempirical meta-generalized-gradient-approximation for the exchange-correlation energy

    International Nuclear Information System (INIS)

    Perdew, John P.; Ruzsinszky, Adrienn; Tao, Jianmin; Csonka, Gabor I.; Scuseria, Gustavo E.

    2007-01-01

    The meta-generalized-gradient-approximation (meta-GGA) for the exchange-correlation energy, as constructed by Tao, Perdew, Staroverov, and Scuseria (TPSS) [Phys. Rev. Lett. 91, 146401 (2003)], has achieved usefully consistent accuracy for diverse systems and is the most reliable nonempirical density functional (and the most reliable nonhybrid) in common use. We present here an optimized version of this TPSS functional obtained by empirically fitting a single free parameter that controls the approach of the exchange enhancement factor to its rapidly-varying-density limit, while preserving all the exact constraints that the original TPSS functional satisfies. We find that molecular atomization energies are significantly improved with the optimized version and are even better than those obtained with the best hybrid functionals employing a fraction of exact exchange (e.g., the TPSS hybrid), while energy barrier heights are slightly improved; jellium surface energies remain accurate and almost unchanged. The one-parameter freedom of the TPSS functional may be useful even beyond the meta-GGA level, since the TPSS approximation is a natural starting point for the higher-level hyper-GGA

  12. Uncertainty analysis of the Operational Simplified Surface Energy Balance (SSEBop) model at multiple flux tower sites

    Science.gov (United States)

    Chen, Mingshi; Senay, Gabriel B.; Singh, Ramesh K.; Verdin, James P.

    2016-01-01

    Evapotranspiration (ET) is an important component of the water cycle – ET from the land surface returns approximately 60% of the global precipitation back to the atmosphere. ET also plays an important role in energy transport among the biosphere, atmosphere, and hydrosphere. Current regional to global and daily to annual ET estimation relies mainly on surface energy balance (SEB) ET models or statistical and empirical methods driven by remote sensing data and various climatological databases. These models have uncertainties due to inevitable input errors, poorly defined parameters, and inadequate model structures. The eddy covariance measurements on water, energy, and carbon fluxes at the AmeriFlux tower sites provide an opportunity to assess the ET modeling uncertainties. In this study, we focused on uncertainty analysis of the Operational Simplified Surface Energy Balance (SSEBop) model for ET estimation at multiple AmeriFlux tower sites with diverse land cover characteristics and climatic conditions. The 8-day composite 1-km MODerate resolution Imaging Spectroradiometer (MODIS) land surface temperature (LST) was used as input land surface temperature for the SSEBop algorithms. The other input data were taken from the AmeriFlux database. Results of statistical analysis indicated that the SSEBop model performed well in estimating ET with an R2 of 0.86 between estimated ET and eddy covariance measurements at 42 AmeriFlux tower sites during 2001–2007. It was encouraging to see that the best performance was observed for croplands, where R2 was 0.92 with a root mean square error of 13 mm/month. The uncertainties or random errors from input variables and parameters of the SSEBop model led to monthly ET estimates with relative errors less than 20% across multiple flux tower sites distributed across different biomes. This uncertainty of the SSEBop model lies within the error range of other SEB models, suggesting systematic error or bias of the SSEBop model is within

  13. Optimization of Operating Parameters for Minimum Mechanical Specific Energy in Drilling

    Energy Technology Data Exchange (ETDEWEB)

    Hamrick, Todd [West Virginia Univ., Morgantown, WV (United States)

    2011-01-01

    Efficiency in drilling is measured by Mechanical Specific Energy (MSE). MSE is the measure of the amount of energy input required to remove a unit volume of rock, expressed in units of energy input divided by volume removed. It can be expressed mathematically in terms of controllable parameters; Weight on Bit, Torque, Rate of Penetration, and RPM. It is well documented that minimizing MSE by optimizing controllable factors results in maximum Rate of Penetration. Current methods for computing MSE make it possible to minimize MSE in the field only through a trial-and-error process. This work makes it possible to compute the optimum drilling parameters that result in minimum MSE. The parameters that have been traditionally used to compute MSE are interdependent. Mathematical relationships between the parameters were established, and the conventional MSE equation was rewritten in terms of a single parameter, Weight on Bit, establishing a form that can be minimized mathematically. Once the optimum Weight on Bit was determined, the interdependent relationship that Weight on Bit has with Torque and Penetration per Revolution was used to determine optimum values for those parameters for a given drilling situation. The improved method was validated through laboratory experimentation and analysis of published data. Two rock types were subjected to four treatments each, and drilled in a controlled laboratory environment. The method was applied in each case, and the optimum parameters for minimum MSE were computed. The method demonstrated an accurate means to determine optimum drilling parameters of Weight on Bit, Torque, and Penetration per Revolution. A unique application of micro-cracking is also presented, which demonstrates that rock failure ahead of the bit is related to axial force more than to rotation speed.

  14. 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

  15. A means to estimate thermal and kinetic parameters of coal dust layer from hot surface ignition tests.

    Science.gov (United States)

    Park, Haejun; Rangwala, Ali S; Dembsey, Nicholas A

    2009-08-30

    A method to estimate thermal and kinetic parameters of Pittsburgh seam coal subject to thermal runaway is presented using the standard ASTM E 2021 hot surface ignition test apparatus. Parameters include thermal conductivity (k), activation energy (E), coupled term (QA) of heat of reaction (Q) and pre-exponential factor (A) which are required, but rarely known input values to determine the thermal runaway propensity of a dust material. Four different dust layer thicknesses: 6.4, 12.7, 19.1 and 25.4mm, are tested, and among them, a single steady state dust layer temperature profile of 12.7 mm thick dust layer is used to estimate k, E and QA. k is calculated by equating heat flux from the hot surface layer and heat loss rate on the boundary assuming negligible heat generation in the coal dust layer at a low hot surface temperature. E and QA are calculated by optimizing a numerically estimated steady state dust layer temperature distribution to the experimentally obtained temperature profile of a 12.7 mm thick dust layer. Two unknowns, E and QA, are reduced to one from the correlation of E and QA obtained at criticality of thermal runaway. The estimated k is 0.1 W/mK matching the previously reported value. E ranges from 61.7 to 83.1 kJ/mol, and the corresponding QA ranges from 1.7 x 10(9) to 4.8 x 10(11)J/kg s. The mean values of E (72.4 kJ/mol) and QA (2.8 x 10(10)J/kg s) are used to predict the critical hot surface temperatures for other thicknesses, and good agreement is observed between measured and experimental values. Also, the estimated E and QA ranges match the corresponding ranges calculated from the multiple tests method and values reported in previous research.

  16. Equivalent local potentials and phase approach to low-energy scattering parameters

    Energy Technology Data Exchange (ETDEWEB)

    Jana, A.K.; Nandi, T.K.; Paul, A.K.; Talukdar, B. (Department of Physics, Santiniketan, West Bengal (India))

    1994-01-01

    It is shown that the use of the McTavish-Kermode-Melhem-type equivalent local potentials linearizes algorithms of the variable-phase approach needed to compute the low-energy scattering parameters. A case study is presented to demonstrate the merit of the linearized equations, with particular emphasis on the relationship between the interpolating scattering length function and potential functions. (Author).

  17. Modified Hubble law, the time-varying Hubble parameter and the problem of dark energy

    OpenAIRE

    Liu, Jian-Miin

    2005-01-01

    In the framework of the solvable model of cosmology constructed in the Earth-related coordinate system, we derive the modified Hubble law. This law carries the slowly time-varying Hubble parameter. The modified Hubble law eliminates the need for dark energy.

  18. On justification of efficient Energy-Force parameters of Hydraulic-excavator main mechanisms

    Science.gov (United States)

    Komissarov, Anatoliy; Lagunova, Yuliya; Shestakov, Viktor; Lukashuk, Olga

    2018-03-01

    The article formulates requirements for energy-efficient designs of the operational equipment of a hydraulic excavator (its boom, stick and bucket) and defines, for a mechanism of that equipment, a new term “performance characteristic”. The drives of main rotation mechanisms of the equipment are realized by hydraulic actuators (hydraulic cylinders) and transmission (leverage) mechanisms, with the actuators (the cylinders themselves, their pistons and piston rods) also acting as links of the leverage. Those drives are characterized by the complexity of translating mechanical-energy parameters of the actuators into energy parameters of the driven links (a boom, a stick and a bucket). Relations between those parameters depend as much on the types of mechanical characteristics of the hydraulic actuators as on the types of structural schematics of the transmission mechanisms. To assess how energy-force parameters of the driven links change when a typical operation is performed, it was proposed to calculate performance characteristics of the main mechanisms as represented by a set of values of transfer functions, i.e. by functional dependences between driven links and driving links (actuators). Another term “ideal performance characteristic” of a mechanism was introduced. Based on operation-emulating models for the main mechanisms of hydraulic excavators, analytical expressions were derived to calculate kinematic and force transfer functions of the main mechanisms.

  19. Efficient elimination of response parameters in molecular property calculations for variational and nonvariational energies.

    Science.gov (United States)

    Kristensen, Kasper; Jørgensen, Poul; Thorvaldsen, Andreas J; Helgaker, Trygve

    2008-12-07

    A general method is presented for the efficient elimination of response parameters in molecular property calculations for variational and nonvariational energies. For variational energies, Wigner's 2n+1 rule is obtained as a special case of the more general k(2n+1) rule, which states that for a subset of k perturbations within a total set of z>or=k perturbations, response parameters may be eliminated according to the 2n+1 rule (normally applied to the full set of perturbations). Nonvariational energies may be treated by introducing Lagrange multipliers that satisfy the stronger 2n+2 rule for the k perturbations, while the wave-function parameters still satisfy the 2n+1 rule for the k perturbations. The corresponding rule for nonvariational energies is referred to as the k(2n+1,2n+2) rule. For k=z, the well-known 2n+2 rule for the multipliers is reproduced, while the wave-function parameters satisfy the 2n+1 rule. The application of the k(2n+1) and k(2n+1,2n+2) rules minimizes the total number of response equations to be solved when the molecular property contains k extensive perturbations (e.g., geometrical derivatives) and z-k intensive perturbations (e.g., electric fields).

  20. Effects of pairing correlation on nuclear level density parameter and nucleon separation energy

    International Nuclear Information System (INIS)

    Rajesekaran, T.R.; Selvaraj, S.

    2002-01-01

    A systematic study of effects of pairing correlations on nuclear level density parameter 'a' and neutron separation energy S N is presented for 152 Gd using statistical theory of nuclei with deformation, collective and noncollective rotational degrees of freedom, shell effects, and pairing correlations

  1. Hamiltonian formulation of distributed-parameter systems with boundary energy flow

    NARCIS (Netherlands)

    van der Schaft, A.J.; Maschke, B.M.

    2001-01-01

    A Hamiltonian formulation of classes of distributed-parameter systems is presented, which incorporates the energy flow through the boundary of the spatial domain of the system, and which allows to represent the system as a boundary control Hamiltonian system. The system is Hamiltonian with respect

  2. Hamiltonian formulation of distributed-parameter systems with boundary energy flow

    NARCIS (Netherlands)

    van der Schaft, Arjan; Maschke, B.M.

    A Hamiltonian formulation of classes of distributed-parameter systems is presented, which incorporates the energy flow through the boundary of the spatial domain of the system, and which allows to represent the system as a boundary control Hamiltonian system. The system is Hamiltonian with respect

  3. Hamiltonian formulation of distributed-parameter systems with boundary energy flow

    NARCIS (Netherlands)

    Schaft, A.J. van der; Maschke, B.M.

    2002-01-01

    A Hamiltonian formulation of classes of distributed-parameter systems is presented, which incorporates the energy flow through the boundary of the spatial domain of the system, and which allows to represent the system as a boundary control Hamiltonian system. The system is Hamiltonian with respect

  4. Effects of an inclined walking surface and balance abilities on spatiotemporal gait parameters of older adults.

    Science.gov (United States)

    Ferraro, Richard A; Pinto-Zipp, Genevieve; Simpkins, Susan; Clark, MaryAnn

    2013-01-01

    To date, few studies have investigated how walking patterns on inclines change in healthy older adults. The purpose of the study was to examine the effects of an inclined walking surface and balance abilities on various spatiotemporal gait parameters of healthy older adults. Seventy-eight self-reported independent community ambulators (mean age, 77.8 years; SD, 4.8) participated in this study. After completing the Berg Balance Scale and Dynamic Gait Index (DGI), all participants were asked to walk on the GaitRite on level and inclined surfaces (10° slope). Dependent t tests were used to determine statistical significance between level and inclined surfaces for cadence, step length, velocity, and gait stability ratio (GSR). GSR is a measure of the degree of adaptation an individual makes to increase stability during gait derived from a ratio of cadence/velocity. A 2 2 analysis of variance was performed to determine differences in means among the higher-risk participants (as determined by the Berg Balance Scale and Dynamic Gait Index) comparing their level and incline walking patterns. The level of significance was set at P 0.05. During incline walking a significant decrease occurred in mean step length, 63.1(8.8) cm, P 0.001, mean cadence, 111.6 (8.9) step/min, P 0.01 and mean normalized velocity, 1.4 (0.23), P 0.001. However, mean GSR increased on inclines, 1.62 (0.22) steps/m, P 0.004. Main effects were evident for both walking surface and fall risk for all gait parameters tested. Healthy older adults adopt a more stable gait pattern on inclines decreasing velocity and spending more time in the double support despite the increased physiological demands to perform this task. Clear changes were evident between level and incline surfaces regardless of fall risk as defined by 2 different objective balance measures [corrected].

  5. Improved identifiability of myocardial material parameters by an energy-based cost function.

    Science.gov (United States)

    Nasopoulou, Anastasia; Shetty, Anoop; Lee, Jack; Nordsletten, David; Rinaldi, C Aldo; Lamata, Pablo; Niederer, Steven

    2017-06-01

    Myocardial stiffness is a valuable clinical biomarker for the monitoring and stratification of heart failure (HF). Cardiac finite element models provide a biomechanical framework for the assessment of stiffness through the determination of the myocardial constitutive model parameters. The reported parameter intercorrelations in popular constitutive relations, however, obstruct the unique estimation of material parameters and limit the reliable translation of this stiffness metric to clinical practice. Focusing on the role of the cost function (CF) in parameter identifiability, we investigate the performance of a set of geometric indices (based on displacements, strains, cavity volume, wall thickness and apicobasal dimension of the ventricle) and a novel CF derived from energy conservation. Our results, with a commonly used transversely isotropic material model (proposed by Guccione et al.), demonstrate that a single geometry-based CF is unable to uniquely constrain the parameter space. The energy-based CF, conversely, isolates one of the parameters and in conjunction with one of the geometric metrics provides a unique estimation of the parameter set. This gives rise to a new methodology for estimating myocardial material parameters based on the combination of deformation and energetics analysis. The accuracy of the pipeline is demonstrated in silico, and its robustness in vivo, in a total of 8 clinical data sets (7 HF and one control). The mean identified parameters of the Guccione material law were [Formula: see text] and [Formula: see text] ([Formula: see text], [Formula: see text], [Formula: see text]) for the HF cases and [Formula: see text] and [Formula: see text] ([Formula: see text], [Formula: see text], [Formula: see text]) for the healthy case.

  6. Observational constraints on variable equation of state parameters of dark matter and dark energy after Planck

    Directory of Open Access Journals (Sweden)

    Suresh Kumar

    2014-10-01

    Full Text Available In this paper, we study a cosmological model in general relativity within the framework of spatially flat Friedmann–Robertson–Walker space–time filled with ordinary matter (baryonic, radiation, dark matter and dark energy, where the latter two components are described by Chevallier–Polarski–Linder equation of state parameters. We utilize the observational data sets from SNLS3, BAO and Planck + WMAP9 + WiggleZ measurements of matter power spectrum to constrain the model parameters. We find that the current observational data offer tight constraints on the equation of state parameter of dark matter. We consider the perturbations and study the behavior of dark matter by observing its effects on CMB and matter power spectra. We find that the current observational data favor the cold dark matter scenario with the cosmological constant type dark energy at the present epoch.

  7. Determination of the QCD Λ-parameter and the accuracy of perturbation theory at high energies

    International Nuclear Information System (INIS)

    Dalla Brida, Mattia; Fritzsch, Patrick; Korzec, Tomasz; Ramos, Alberto; Sint, Stefan; Sommer, Rainer; Humboldt-Universitaet, Berlin

    2016-04-01

    We discuss the determination of the strong coupling α MS (m Z ) or equivalently the QCD Λ-parameter. Its determination requires the use of perturbation theory in α s (μ) in some scheme, s, and at some energy scale μ. The higher the scale μ the more accurate perturbation theory becomes, owing to asymptotic freedom. As one step in our computation of the Λ-parameter in three-flavor QCD, we perform lattice computations in a scheme which allows us to non-perturbatively reach very high energies, corresponding to α s =0.1 and below. We find that (continuum) perturbation theory is very accurate there, yielding a three percent error in the Λ-parameter, while data around α s ∼0.2 is clearly insufficient to quote such a precision. It is important to realize that these findings are expected to be generic, as our scheme has advantageous properties regarding the applicability of perturbation theory.

  8. Observational constraints on variable equation of state parameters of dark matter and dark energy after Planck

    International Nuclear Information System (INIS)

    Kumar, Suresh; Xu, Lixin

    2014-01-01

    In this paper, we study a cosmological model in general relativity within the framework of spatially flat Friedmann–Robertson–Walker space–time filled with ordinary matter (baryonic), radiation, dark matter and dark energy, where the latter two components are described by Chevallier–Polarski–Linder equation of state parameters. We utilize the observational data sets from SNLS3, BAO and Planck + WMAP9 + WiggleZ measurements of matter power spectrum to constrain the model parameters. We find that the current observational data offer tight constraints on the equation of state parameter of dark matter. We consider the perturbations and study the behavior of dark matter by observing its effects on CMB and matter power spectra. We find that the current observational data favor the cold dark matter scenario with the cosmological constant type dark energy at the present epoch

  9. 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.

  10. Characterization of wet granulation process parameters using response surface methodology. 1. Top-spray fluidized bed.

    Science.gov (United States)

    Lipps, D M; Sakr, A M

    1994-07-01

    Randomized full-factorial designs (3(2)) were used to investigate the effects of processing conditions in the top-spray fluidized bed (TSFB) on the granulation of acetaminophen powder (USP) using 5% polyvinylpyrrolidone (w/w) as the binder. Measured granule properties included the following: mean size and size distribution, specific surface area, bulk density, tapped density, flow rate through an orifice, angle of repose, residual moisture content, and percent overs (> 2 mm). The granules were then compressed (500, 1000, 1500 lbs) into tablets (9-mm shallow concave) using an instrumented rotary press and analyzed for both physical properties and drug-release characteristics. All experimental batches were run in triplicate to reduce the possibility of erroneous results and to increase the confidence in the resulting empirical relationships derived using response-surface methodology. Measured responses were then related to process parameters using two-factor and three-factor linear, interactions, and quadratic regression models. These models were used to generate three-dimensional response surfaces for use in the final analyses. Coefficients of determination (R2) ranging from 0.08 to 0.81 were obtained, indicating that only a portion of the variation in the data could be explained by the changes in process parameter settings during granulation and tableting. The best overall model fits were observed for mean granule size, size distribution, bulk density, tapped density, percent drug dissolution, tablet disintegration time, and tablet friability.

  11. Quantification of the lift height for magnetic force microscopy using 3D surface parameters

    International Nuclear Information System (INIS)

    Nenadovic, M.; Strbac, S.; Rakocevic, Z.

    2010-01-01

    In this work, the quantitative conditions for the lift height for imaging of the magnetic field using magnetic force microscopy (MFM) were optimized. A thin cobalt film deposited on a monocrystalline silicon (1 0 0) substrate with a thickness of 55 nm and a thin nickel film deposited on a glass with a thickness of 600 nm were used as samples. The topography of the surface was acquired by tapping mode atomic force microscopy (AFM), while MFM imaging was performed in the lift mode for various lift heights. It was determined that the sensitivity of the measurements was about 10% higher for images obtained at a scan angle of 90 o compared to a scan angle of 0 deg. Therefore, the three-dimensional surface texture parameters, i.e., average roughness, skewness, kurtosis and the bearing ratio, were determined in dependence on the lift height for a scan angle of 90 deg. The results of the analyses of the surface parameters showed that the influence of the substrate and its texture on the magnetic force image could be neglected for lift heights above 40 nm and that the upper lift height limit is 100 nm. It was determined that the optimal values of the lift heights were in the range from 60 to 80 nm, depending on the nature of the sample and on the type of the tip used.

  12. Overview and benchmark analysis of fuel cell parameters estimation for energy management purposes

    Science.gov (United States)

    Kandidayeni, M.; Macias, A.; Amamou, A. A.; Boulon, L.; Kelouwani, S.; Chaoui, H.

    2018-03-01

    Proton exchange membrane fuel cells (PEMFCs) have become the center of attention for energy conversion in many areas such as automotive industry, where they confront a high dynamic behavior resulting in their characteristics variation. In order to ensure appropriate modeling of PEMFCs, accurate parameters estimation is in demand. However, parameter estimation of PEMFC models is highly challenging due to their multivariate, nonlinear, and complex essence. This paper comprehensively reviews PEMFC models parameters estimation methods with a specific view to online identification algorithms, which are considered as the basis of global energy management strategy design, to estimate the linear and nonlinear parameters of a PEMFC model in real time. In this respect, different PEMFC models with different categories and purposes are discussed first. Subsequently, a thorough investigation of PEMFC parameter estimation methods in the literature is conducted in terms of applicability. Three potential algorithms for online applications, Recursive Least Square (RLS), Kalman filter, and extended Kalman filter (EKF), which has escaped the attention in previous works, have been then utilized to identify the parameters of two well-known semi-empirical models in the literature, Squadrito et al. and Amphlett et al. Ultimately, the achieved results and future challenges are discussed.

  13. 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.

  14. Entropy in the Present and Early Universe: New Small Parameters and Dark Energy Problem

    Directory of Open Access Journals (Sweden)

    Alexander Shalyt-Margolin

    2010-04-01

    Full Text Available It is demonstrated that entropy and its density play a significant role in solving the problem of the vacuum energy density (cosmological constant of the Universe and hence the dark energy problem. Taking this in mind, two most popular models for dark energy—Holographic Dark Energy Model and Agegraphic Dark Energy Model—are analysed. It is shown that the fundamental quantities in the first of these models may be expressed in terms of a new small dimensionless parameter that is naturally occurring in High Energy Gravitational Thermodynamics and Gravitational Holography (UV-limit. On this basis, the possibility of a new approach to the problem of Quantum Gravity is discussed. Besides, the results obtained on the uncertainty relation of the pair “cosmological constant–volume of space-time”, where the cosmological constant is a dynamic quantity, are reconsidered and generalized up to the Generalized Uncertainty Relation.

  15. 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

  16. Simultaneous estimation of land surface scheme states and parameters using the ensemble Kalman filter: identical twin experiments

    Directory of Open Access Journals (Sweden)

    S. Nie

    2011-08-01

    Full Text Available The performance of the ensemble Kalman filter (EnKF in soil moisture assimilation applications is investigated in the context of simultaneous state-parameter estimation in the presence of uncertainties from model parameters, soil moisture initial condition and atmospheric forcing. A physically based land surface model is used for this purpose. Using a series of identical twin experiments in two kinds of initial parameter distribution (IPD scenarios, the narrow IPD (NIPD scenario and the wide IPD (WIPD scenario, model-generated near surface soil moisture observations are assimilated to estimate soil moisture state and three hydraulic parameters (the saturated hydraulic conductivity, the saturated soil moisture suction and a soil texture empirical parameter in the model. The estimation of single imperfect parameter is successful with the ensemble mean value of all three estimated parameters converging to their true values respectively in both NIPD and WIPD scenarios. Increasing the number of imperfect parameters leads to a decline in the estimation performance. A wide initial distribution of estimated parameters can produce improved simultaneous multi-parameter estimation performances compared to that of the NIPD scenario. However, when the number of estimated parameters increased to three, not all parameters were estimated successfully for both NIPD and WIPD scenarios. By introducing constraints between estimated hydraulic parameters, the performance of the constrained three-parameter estimation was successful, even if temporally sparse observations were available for assimilation. The constrained estimation method can reduce RMSE much more in soil moisture forecasting compared to the non-constrained estimation method and traditional non-parameter-estimation assimilation method. The benefit of this method in estimating all imperfect parameters simultaneously can be fully demonstrated when the corresponding non-constrained estimation method

  17. Low-energy scattering parameters for van der Waals perturbation theory

    Energy Technology Data Exchange (ETDEWEB)

    Benofy, L.P.; Buendia, E.; Guardiola, R.; de Llano, M.

    1986-06-01

    The low-energy two-body scattering S- and P-wave parameters, together with a shape-dependent S-wave quantity, which appear in the well-known low-density expansions for the ground-state energy of many-boson and many-fermion systems, are accurately calculated for several central pair potentials for spin-polarized atoms, helium atoms, and nucleons. An integral-equation method allowing accurate determination of the coefficients of the above-mentioned parameters expanded in powers of the attraction strength of the pair potential is presented and applied. The results are needed for perturbation studies of ground-state energies of various quantum many-body systems.

  18. 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.

  19. Evapotranspiration estimation using a parameter-parsimonious energy partition model over Amazon basin

    Science.gov (United States)

    Xu, D.; Agee, E.; Wang, J.; Ivanov, V. Y.

    2017-12-01

    The increased frequency and severity of droughts in the Amazon region have emphasized the potential vulnerability of the rainforests to heat and drought-induced stresses, highlighting the need to reduce the uncertainty in estimates of regional evapotranspiration (ET) and quantify resilience of the forest. Ground-based observations for estimating ET are resource intensive, making methods based on remotely sensed observations an attractive alternative. Several methodologies have been developed to estimate ET from satellite data, but challenges remained in model parameterization and satellite limited coverage reducing their utility for monitoring biodiverse regions. In this work, we apply a novel surface energy partition method (Maximum Entropy Production; MEP) based on Bayesian probability theory and nonequilibrium thermodynamics to derive ET time series using satellite data for Amazon basin. For a large, sparsely monitored region such as the Amazon, this approach has the advantage methods of only using single level measurements of net radiation, temperature, and specific humidity data. Furthermore, it is not sensitive to the uncertainty of the input data and model parameters. In this first application of MEP theory for a tropical forest biome, we assess its performance at various spatiotemporal scales against a diverse field data sets. Specifically, the objective of this work is to test this method using eddy flux data for several locations across the Amazonia at sub-daily, monthly, and annual scales and compare the new estimates with those using traditional methods. Analyses of the derived ET time series will contribute to reducing the current knowledge gap surrounding the much debated response of the Amazon Basin region to droughts and offer a template for monitoring the long-term changes in global hydrologic cycle due to anthropogenic and natural causes.

  20. Source parameter inversion for wave energy focusing to a target inclusion embedded in a three-dimensional heterogeneous halfspace

    KAUST Repository

    Karve, Pranav M.

    2016-12-28

    We discuss a methodology for computing the optimal spatio-temporal characteristics of surface wave sources necessary for delivering wave energy to a targeted subsurface formation. The wave stimulation is applied to the target formation to enhance the mobility of particles trapped in its pore space. We formulate the associated wave propagation problem for three-dimensional, heterogeneous, semi-infinite, elastic media. We use hybrid perfectly matched layers at the truncation boundaries of the computational domain to mimic the semi-infiniteness of the physical domain of interest. To recover the source parameters, we define an inverse source problem using the mathematical framework of constrained optimization and resolve it by employing a reduced-space approach. We report the results of our numerical experiments attesting to the methodology\\'s ability to specify the spatio-temporal description of sources that maximize wave energy delivery. Copyright © 2016 John Wiley & Sons, Ltd.

  1. 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.

  2. Impact of Building Design Parameters on Thermal Energy Flexibility in a Low-Energy Building

    DEFF Research Database (Denmark)

    Sarran, Lucile; Foteinaki, Kyriaki; Gianniou, Panagiota

    appears to have the largest impact on thermal flexibility. The importance of window design, namely the size, U-value and orientation, is underlined due to its critical influence on solar gains and heat losses. It is eventually observed that thermal mass has a secondary influence on the evaluated......This work focuses on demand-side management potential for the heating grid in residential buildings. The possibility to increase the flexibility provided to the heat network through specific building design is investigated. The role of different parts of the building structure on thermal...... flexibility is assessed through a parameter variation on a building model. Different building designs are subjected to heat cut-offs, and flexibility is evaluated with respect to comfort preservation and heating power peak creation. Under the conditions of this study, the thermal transmittance of the envelope...

  3. Global shortwave energy budget at the earth's surface from ERBE observations

    Science.gov (United States)

    Breon, Francois-Marie; Frouin, Robert

    1994-01-01

    A method is proposed to compute the net solar (shortwave) irradiance at the earth's surface from Earth Radiation Budget Experiment (ERBE) data in the S4 format. The S4 data are monthly averaged broadband planetary albedo collected at selected times during the day. Net surface shortwave irradiance is obtained from the shortwave irradiance incident at the top of the atmosphere (known) by subtracting both the shortwave energy flux reflected by the earth-atmosphere system (measured) and the energy flux absorbed by the atmosphere (modeled). Precalculated atmospheric- and surface-dependent functions that characterize scattering and absorption in the atmosphere are used, which makes the method easily applicable and computationally efficient. Four surface types are distinguished, namely, ocean, vegetation, desert, and snow/ice. Over the tropical Pacific Ocean, the estimates based on ERBE data compare well with those obtained from International Satellite Cloud Climatology Project (ISCCP) B3 data. For the 9 months analyzed the linear correlation coefficient and the standard difference between the two datasets are 0.95 and 14 W/sq m (about 6% of the average shortwave irradiance), respectively, and the bias is 15 W/sq m (higher ERBE values). The bias, a strong function of ISCCP satellite viewing zenith angle, is mostly in the ISCCP-based estimates. Over snow/ice, vegetation, and desert no comparison is made with other satellite-based estimates, but theoretical calculations using the discrete ordinate method suggest that over highly reflective surfaces (snow/ice, desert) the model, which accounts crudely for multiple reflection between the surface and clouds, may substantially overestimate the absorbed solar energy flux at the surface, especially when clouds are optically thick. The monthly surface shortwave irradiance fields produced for 1986 exhibit the main features characteristic of the earth's climate. As found in other studies, our values are generally higher than

  4. Role of deceleration parameter and interacting dark energy in singularity avoidance

    Science.gov (United States)

    Abdussattar; Prajapati, S. R.

    2011-02-01

    A class of non-singular bouncing FRW models are obtained by constraining the deceleration parameter in the presence of an interacting dark energy represented by a time-varying cosmological constant. The models being geometrically closed, initially accelerate for a certain period of time and decelerate thereafter and are also free from the entropy and cosmological constant problems. Taking a constant of integration equal to zero one particular model is discussed in some detail and the variation of different cosmological parameters are shown graphically for specific values of the parameters of the model. For some specific choice of the parameters of the model the ever expanding models of Ozer & Taha and Abdel-Rahman and the decelerating models of Berman and also the Einstein de-Sitter model may be obtained as special cases of this particular model.

  5. 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.

  6. Roughness parameters as the elements of surface condition and deformation assessment based on the results of TLS scanning

    Directory of Open Access Journals (Sweden)

    Kowalska Maria E.

    2017-03-01

    Full Text Available Roughness parameters as the elements of surface condition and deformation assessment based on the results of TLS scanning. Roughness is the attribute of a surface that can be defined as a collection of small surface unevennesses that can be identified optically or detected mechanically which do not result from the surface’s shape and their size depends on a material type as well as on undergone processing. The most often utilised roughness parameters are: Ra - mean distance value of the points on the observed profile from the average line on the sampling length, and Rz - difference between arithmetic mean height of the five highest peaks and arithmetic mean depth of the five deepest valleys regarding to the average line on the length of the measured fragment. In practice, roughness parameters are most often defined for surface elements that require relevant manufacturing or processing through grinding, founding or polishing in order to provide the expected surface roughness. To measure those parameters for the produced elements profilometers are used. In this paper the authors present an alternative approach of determining and utilising such parameters. Instead of the utilising methods based on sampling length measurement, roughness parameters are determined on the basis of point clouds, that represent a surface of rough concrete, obtained through terrestrial laser scanning. The authors suggest using the surface roughness parameter data acquired in this way as a supplementary data in the condition assessment (erosion rate of surfaces being a part of engineering constructions made of concrete.

  7. Effect of Surface Modification on the Hansen Solubility Parameters of Single-Walled Carbon Nanotubes

    DEFF Research Database (Denmark)

    Ma, Jing; Larsen, Mikael

    2013-01-01

    In this work, seven types of surface-modified single-walled carbon nanotubes (SWNTs) were studied by X-ray photoelectron spectroscopy (XPS) and Raman spectroscopy to investigate the functional groups and extent of functionalization. Hansen solubility parameters were determined based on observations...... of the sedimentation and swollen states of the SWNTs in solvents after ultrasonication, and the results were compared with the hydrodynamic sizes of the SWNTs evaluated by the dynamic light scattering method. We found that the solubility of SWNTs is related to their functional groups and degree of functionalization...

  8. Selective Laser Sintering of PA2200: Effects of print parameters on density, accuracy, and surface roughness

    Energy Technology Data Exchange (ETDEWEB)

    Bajric, Sendin [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-06-12

    Additive manufacturing needs a broader selection of materials for part production. In order for the Los Alamos National Laboratory (LANL) to investigate new materials for selective laser sintering (SLS), this paper reviews research on the effect of print parameters on part density, accuracy, and surface roughness of polyamide 12 (PA12, PA2200). The literature review serves to enhance the understanding of how changing the laser powder, scan speed, etc. will affect the mechanical properties of a commercial powder. By doing so, this understanding will help the investigation of new materials for SLS.

  9. A Modelling Method of Bolt Joints Based on Basic Characteristic Parameters of Joint Surfaces

    Science.gov (United States)

    Yuansheng, Li; Guangpeng, Zhang; Zhen, Zhang; Ping, Wang

    2018-02-01

    Bolt joints are common in machine tools and have a direct impact on the overall performance of the tools. Therefore, the understanding of bolt joint characteristics is essential for improving machine design and assembly. Firstly, According to the experimental data obtained from the experiment, the stiffness curve formula was fitted. Secondly, a finite element model of unit bolt joints such as bolt flange joints, bolt head joints, and thread joints was constructed, and lastly the stiffness parameters of joint surfaces were implemented in the model by the secondary development of ABAQUS. The finite element model of the bolt joint established by this method can simulate the contact state very well.

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

    Science.gov (United States)

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

    2016-06-01

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

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

    Directory of Open Access Journals (Sweden)

    D. Gerçek

    2016-06-01

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

  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. Surface functionalization of nanofibrillated cellulose extracted from wheat straw: Effect of process parameters.

    Science.gov (United States)

    Singh, Mandeep; Kaushik, Anupama; Ahuja, Dheeraj

    2016-10-05

    Aggregates of microfibrillated cellulose isolated from wheat straw fibers were subjected to propionylation under different processing conditions of time, temperature and concentration. The treated fibers were then homogenized to obtain surface modified nanofibrillated cellulose. For varying parameters, progress of propionylation and its effects on various characteristics was investigated by FTIR, degree of substitution, elemental analysis, SEM, EDX, TEM, X-ray diffraction, static and dynamic contact angle measurements. Thermal stability of the nanofibrils was also investigated using thermogravimetric technique. FTIR analysis confirmed the propionylation of the hydroxyl groups of the cellulose fibers. The variations in reaction conditions such as time and temperature had shown considerable effect on degree of substitution (DS) and surface contact angle (CA). These characterization results represent the optimizing conditions under which cellulose nanofibrils with hydrophobic characteristics up to contact angle of 120° can be obtained. Copyright © 2016 Elsevier Ltd. All rights reserved.

  14. Advancing the Frontiers in Nanocatalysis, Biointerfaces, and Renewable Energy Conversion by Innovations of Surface Techniques

    Energy Technology Data Exchange (ETDEWEB)

    Somorjai, G.A.; Frei, H.; Park, J.Y.

    2009-07-23

    The challenge of chemistry in the 21st century is to achieve 100% selectivity of the desired product molecule in multipath reactions ('green chemistry') and develop renewable energy based processes. Surface chemistry and catalysis play key roles in this enterprise. Development of in situ surface techniques such as high-pressure scanning tunneling microscopy, sum frequency generation (SFG) vibrational spectroscopy, time-resolved Fourier transform infrared methods, and ambient pressure X-ray photoelectron spectroscopy enabled the rapid advancement of three fields: nanocatalysts, biointerfaces, and renewable energy conversion chemistry. In materials nanoscience, synthetic methods have been developed to produce monodisperse metal and oxide nanoparticles (NPs) in the 0.8-10 nm range with controlled shape, oxidation states, and composition; these NPs can be used as selective catalysts since chemical selectivity appears to be dependent on all of these experimental parameters. New spectroscopic and microscopic techniques have been developed that operate under reaction conditions and reveal the dynamic change of molecular structure of catalysts and adsorbed molecules as the reactions proceed with changes in reaction intermediates, catalyst composition, and oxidation states. SFG vibrational spectroscopy detects amino acids, peptides, and proteins adsorbed at hydrophobic and hydrophilic interfaces and monitors the change of surface structure and interactions with coadsorbed water. Exothermic reactions and photons generate hot electrons in metal NPs that may be utilized in chemical energy conversion. The photosplitting of water and carbon dioxide, an important research direction in renewable energy conversion, is discussed.

  15. 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

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. 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

  1. Influence of laser parameters in surface texturing of Ti6Al4V and AA2024-T3 alloys

    Science.gov (United States)

    Ahuir-Torres, J. I.; Arenas, M. A.; Perrie, W.; de Damborenea, J.

    2018-04-01

    Laser texturing can be used for surface modification of metallic alloys in order to improve their properties under service conditions. The generation of textures is determined by the relationship between the laser processing parameters and the physicochemical properties of the alloy to be modified. In the present work the basic mechanism of dimple generation is studied in two alloys of technological interest, titanium alloy Ti6Al4V and aluminium alloy AA2024-T3. Laser treatment was performed using a pulsed solid state Nd: Vanadate (Nd: YVO4) laser with a pulse duration of 10 ps, operating at a wavelength of 1064 nm and 5 kHz repetition rate. Dimpled surface geometries were generated through ultrafast laser ablation while varying pulse energy between 1 μJ and 20 μJ/pulse and with pulse numbers from 10 to 200 pulses per spot. In addition, the generation of Laser Induced Periodic Surface Structures (LIPSS) nanostructures in both alloys, as well as the formation of random nanostructures in the impact zones are discussed.

  2. 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)

  3. Track etch parameters and annealing kinetics assessment of protons of low energy in CR-39 detector

    International Nuclear Information System (INIS)

    Jain, R.K.; Kumar, Ashok; Singh, B.K.

    2012-01-01

    Highlights: ► We calibrate CR-39 detector with very low energy protons. ► We establish linear relationship between track diameter and time/energy up to 200 keV. ► We determine activation energy of annealing using different models. ► We justify concept of single annealing activation energy in CR-39. - Abstract: In this paper threshold of the registration sensitivity of very low energy proton in CR-39 is investigated. Irradiation of CR-39 (poly-allyl-diglycol carbonate) was carried out with very low energy mono energetic protons of 20–60 keV from a mini proton accelerator. Nearly 10 4 /cm 2 fluence of protons was used. The variation of track diameter with etching time as well as proton energy response curve was carefully calibrated. The bulk and track etch rates were measured by using proton track diameters. Bulk etch rate was also measured by the thickness of removed surface layer. The thermal annealing of proton track at temperatures ranging from 100 to 200 °C in CR-39 was studied by several models. Activation energy of annealed CR-39 detectors was calculated by slope of track etch rate and temperature plot. The data of proton tracks of 200, 250 and 300 keV from 400 kV Van-de-Graaff accelerator was also used and compared with the track diameters of different energies of proton.

  4. NATO Advanced Research Workshop on Geometrical Derivatives of Energy Surfaces and Molecular Properties

    CERN Document Server

    Simons, Jack

    1986-01-01

    The development and computational implementation of analytical expres­ sions for the low-order derivatives of electronic energy surfaces and other molecular properties has undergone rapid growth in recent years. It is now fairly routine for chemists to make use of energy gradient information in locating and identifying stable geometries and transition states. The use of second analytical derivative (Hessian or curvature) expressions is not yet routine, and third and higher energy derivatives as well as property (e.g., dipole moment, polarizability) derivatives are just beginning to be applied to chemical problems. This NATO Advanced Research Workshop focused on analyzing the re­ lative merits of various strategies for deriving the requisite analyti­ cal expressions, for computing necessary integral derivatives and wave­ function parameter derivatives, and for efficiently coding these expres­ sions on conventional scalar machines and vector-oriented computers. The participant list contained many scientist...

  5. Mean surface meteorological parameter characterization at Kavaratti, Lakshadweep Island, South-East Arabian Sea, West Coast of India

    Digital Repository Service at National Institute of Oceanography (India)

    Vijaykumar, K.; Mehra, P.; Nair, B.; Agarwadekar, Y.; Luis, R.; Ghatge, D.; Lobo, S.; Halmalkar, B.

    services. In this manuscript, we attempt to describe surface meteorological conditions over Kavaratti Island. Section 2 briefly describes observational setup, section 3 provides analysis and interpretation, followed by results and discussions... detail of sensors used for surface meteorological observations Surface meteorological parameters Sensors Manufacturer Range Accuracy Wind speed &direction Four-blade helecoid propeller (speed) and light weight vane & precision potentiometer...

  6. 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.

  7. Improved parametric fits for the HeH2 ab initio energy surface

    International Nuclear Information System (INIS)

    Muchnick, P.

    1992-01-01

    A brief history of the development of ab initio calculations for the HeH 2 quasi-molecule energy surface, and the parametric fits to these ab initio calculations, is presented. The concept of 'physical reasonableness' of the parametric fit is discussed. Several new improved parametric fits for the energy surface, meeting these requirements, are then proposed. One fit extends the Russek-Garcia parametric fit for the deep repulsion region to include r-dependent parameters, resulting in a more physically reasonable fit with smaller average error. This improved surface fit is applied to quasi-elastic collisions of He on H 2 in the impulse approximation. Previous classical calculations of the scaled inelastic vibrorotational excitation energy distributions are improved with this more accurate parametric fit of the energy surface and with the incorporation of quantum effects in vibrational excitation. It is shown that Sigmund's approach in developing his scaling law is incomplete in the contribution of the three-body interactions to vibrational excitation of the H 2 molecule is concerned. The Sigmund theory is extended to take into account for r-dependency of three-body interactions. A parametric fit for the entire energy surface from essentially 0 ≤R≤∞ and 1.2≤r≤1.6 a.u., where R is the intermolecular spacing and r is the hydrogen bonding length, is also presented. This fit is physically reasonable in all asymptotic limits. This first, full surface parametric fit is based primarily upon a composite of ab initio studies by Russek and Garcia and Meyer, Hariharan and Kutzelnigg. Parametric fits for the H 2 (1sσ g ) 2 , H 2 + (1sσ g ), H 2 + (2pσ u ) and (LiH 2 ) + energy surfaces are also presented. The new parametric fits for H 2 , H 2 + (1sσ g ) are shown to be improvements over the well-known Morse potentials for these surfaces

  8. Assimilating the Cosmic-Ray Soil Moisture Observing System Measurements for Land Surface Hydrologic Model Parameter Estimation Using the Ensemble Kalman Filter

    Science.gov (United States)

    Xiao, D.; Shi, Y.; Li, L.

    2015-12-01

    Parameter estimation is generally required for land surface models (LSMs) and hydrologic models to reproduce observed water and energy fluxes in different watersheds. Using soil moisture observations for parameter estimation in addition to discharge and land surface temperature observations can improve the prediction of land surface and subsurface processes. Due to their representativity, point measurements cannot capture the watershed-scale soil moisture conditions and may lead to notable bias in watershed soil moisture predictions if used for model calibration. The intermediate-scale cosmic-ray soil moisture observing system (COSMOS) provides average soil water content measurement over a footprint of 0.34 m2 and depths up to 50 cm, and may provide better calibration data for low-order watersheds. In this study, we will test using COSMOS observations for Flux-PIHM parameter and state estimation via the ensemble Kalman filter (EnKF). Flux-PIHM is a physically-based land surface hydrologic model that couples the Penn State Integrated Hydrologic Model (PIHM) with the Noah land surface model. Synthetic data experiments will be performed at the Shale Hills watershed (area: 0.08 km2, smaller than COSMOS footprint) and the Garner Run watershed (1.34 km2, larger than COSMOS footprint) in the Shale Hills Susquehanna Critical Zone Observatory in central Pennsylvania. COSMOS observations will be assimilated into Flux-PIHM using the EnKF, in addition to discharge and land surface temperature (LST) observations. The accuracy of EnKF estimated parameters and water and energy flux predictions will be evaluated. In addition, the results will be compared with assimilating point soil moisture measurement (in addition to discharge and LST), to assess the effects of using different scales of soil moisture observations for parameter estimation. The results at Shale Hills and Garner Run will be compared to test whether performance of COSMOS data assimilation is affected by the size of

  9. 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.

  10. Energy balance and the Malthusian parameter, m, of grazing small rodents : A graphic model.

    Science.gov (United States)

    Stenseth, Nils Chr

    1978-01-01

    A graphic model based on cost and gain functions is developed for predicting the relative magnitude of the Malthusian parameter, m, for different phenotypes. The analysis is mainly restricted to grazing small rodents. The cost function is derived by depicting the probability of death due to predation, parasitism etc. as a function of time spent outside the nest. The gain function is derived by comparing the energy obtained by digestion, with energy used (or needed) for maintenance metabolism, both when outside and inside the nest.The model is applied for predicting the relative magnitude of the Malthusian parameter of small versus large phenotypes of grazing rodents. Of these, the smaller phenotypes are concluded to have the larger Malthusian parameter. This may not hold true for hunters (granivores and predators). These conclusions are used for reinterpreting the often observed geographical size trend in warm-blooded vertebrates (Bergmann's rule).The model is further applied to the determination of the relative magnitude of the Malthusian parameter for aggresive and docile strategies hypothesized in Chitty's theory for fluctuating populations. Of these, the aggressive strategy is concluded to have the lowest Malthusian parameter. Although not verifying Chitty's theory, these results support the earlier hypothesis that the aggressive strategy may under certain situations have lower survival. Based on the present model, nothing can be said about whether or not a polymorphic population as hypothesized by Chitty will exhibit oscillations.

  11. 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.

  12. Evaluation of the suitability of free-energy minimization using nearest-neighbor energy parameters for RNA secondary structure prediction

    Directory of Open Access Journals (Sweden)

    Cobaugh Christian W

    2004-08-01

    Full Text Available Abstract Background A detailed understanding of an RNA's correct secondary and tertiary structure is crucial to understanding its function and mechanism in the cell. Free energy minimization with energy parameters based on the nearest-neighbor model and comparative analysis are the primary methods for predicting an RNA's secondary structure from its sequence. Version 3.1 of Mfold has been available since 1999. This version contains an expanded sequence dependence of energy parameters and the ability to incorporate coaxial stacking into free energy calculations. We test Mfold 3.1 by performing the largest and most phylogenetically diverse comparison of rRNA and tRNA structures predicted by comparative analysis and Mfold, and we use the results of our tests on 16S and 23S rRNA sequences to assess the improvement between Mfold 2.3 and Mfold 3.1. Results The average prediction accuracy for a 16S or 23S rRNA sequence with Mfold 3.1 is 41%, while the prediction accuracies for the majority of 16S and 23S rRNA structures tested are between 20% and 60%, with some having less than 20% prediction accuracy. The average prediction accuracy was 71% for 5S rRNA and 69% for tRNA. The majority of the 5S rRNA and tRNA sequences have prediction accuracies greater than 60%. The prediction accuracy of 16S rRNA base-pairs decreases exponentially as the number of nucleotides intervening between the 5' and 3' halves of the base-pair increases. Conclusion Our analysis indicates that the current set of nearest-neighbor energy parameters in conjunction with the Mfold folding algorithm are unable to consistently and reliably predict an RNA's correct secondary structure. For 16S or 23S rRNA structure prediction, Mfold 3.1 offers little improvement over Mfold 2.3. However, the nearest-neighbor energy parameters do work well for shorter RNA sequences such as tRNA or 5S rRNA, or for larger rRNAs when the contact distance between the base-pairs is less than 100 nucleotides.

  13. 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.

  14. Critical Surface Parameters for the Oxidative Coupling of Methane over the Mn-Na-W/SiO2 Catalyst.

    Science.gov (United States)

    Hayek, Naseem S; Lucas, Nishita S; Warwar Damouny, Christine; Gazit, Oz M

    2017-11-22

    The work here presents a thorough evaluation of the effect of Mn-Na-W/SiO 2 catalyst surface parameters on its performance in the oxidative coupling of methane (OCM). To do so, we used microporous dealuminated β-zeolite (Zeo), or mesoporous SBA-15 (SBA), or macroporous fumed silica (Fum) as precursors for catalyst preparation, together with Mn nitrate, Mn acetate and Na 2 WO 4 . Characterizing the catalysts by inductively coupled plasma-optical emission spectroscopy, N 2 physisorption, X-ray diffraction, high-resolution scanning electron microscopy-energy-dispersive spectroscopy, X-ray photoelectron spectroscopy, and catalytic testing enabled us to identify critical surface parameters that govern the activity and C 2 selectivity of the Mn-Na-W/SiO 2 catalyst. Although the current paradigm views the phase transition of silica to α-cristobalite as the critical step in obtaining dispersed and stable metal sites, we show that the choice of precursors is equally or even more important with respect to tailoring the right surface properties. Specifically, the SBA-based catalyst, characterized by relatively closed surface porosity, demonstrated low activity and low C 2 selectivity. By contrast, for the same composition, the Zeo-based catalyst showed an open surface pore structure, which translated up to fourfold higher activity and enhanced selectivity. By varying the overall composition of the Zeo catalysts, we show that reducing the overall W concentration reduces the size of the Na 2 WO 4 species and increases the catalytic activity linearly as much as fivefold higher than the SBA catalyst. This linear dependence correlates well to the number of interfaces between the Na 2 WO 4 and Mn 2 O 3 species. Our results combined with prior studies lead us to single out the interface between Na 2 WO 4 and Mn 2 O 3 as the most probable active site for OCM using this catalyst. Synergistic interactions between the various precursors used and the phase transition are discussed in

  15. A general form of the cross energy parameter of equations of state

    DEFF Research Database (Denmark)

    Coutinho, Joao A. P.; Panayiotis, Vlamos; Kontogeorgis, Georgios

    2000-01-01

    Phase equilibrium calculations with cubic equations of state are sensitive to mixing and combining rules employed. In this work, we present a suitable general form of the combining rule for the cross-energy parameter, often considered to be the key property in phase equilibrium calculations...... parameter as the variable instead of the commonly employed kij offers useful insight into the behavior of cubic equations of state for a large number of asymmetric systems including gas/alkanes, polymer solutions and blends, and alcohol/alkane and gas/solid systems....

  16. Medium energy measurements of n-n parameters. Progress report, January 1-December 31, 1985

    International Nuclear Information System (INIS)

    1986-01-01

    This document constitutes a progress report (1985-86) for the ongoing medium energy nuclear physics research program. A major part of the work has been and will continue to be associated with research done at the Nucleon Physics Laboratory (NPL) at the Los Alamos Meson Physics Facility (LAMPF). The aim of the experimental program is the determination of the nucleon-nucleon amplitudes at medium energy. The required data include both elastic and inelastic experiments, and in addition the measurement of polarization and polarization transfer parameters. We have been emphasizing single pion production measurements using polarized proton beams, and expect that our present data base will provide stringent tests of theoretical models. With the development of the LAMPF high intensity polarized proton source, we expect that a reasonably intense beam of medium energy polarized neutrons will become available, and are planning a series of experiments utilizing polarized neutrons to determine the importance of the I = 0 reaction amplitudes at medium energies

  17. Multiobjective Optimization of Precision Forging Process Parameters Based on Response Surface Method

    Directory of Open Access Journals (Sweden)

    Fayuan Zhu

    2015-01-01

    Full Text Available In order to control the precision forging forming quality and improve the service life of die, a multiobjective optimization method for process parameters design was presented by applying Latin hypercube design method and response surface model approach. Meanwhile the deformation homogeneity and material damage of forging parts were proposed for evaluating the forming quality. The forming load of die was proposed for evaluating the service life of die. Then as a case of study, the radial precision forging for a hollow shaft with variable cross section and wall thickness was carried out. The 3D rigid-plastic finite element (FE model of the hollow shaft radial precision forging was established. The multiobjective optimization forecast model was established by adopting finite element results and response surface methodology. Nondominated sorting genetic algorithm-II (NSGA-II was adopted to obtain the Pareto-optimal solutions. A compromise solution was selected from the Pareto solutions by using the mapping method. In the finite element study on the forming quality of forging parts and the service life of dies by multiobjective optimization process parameters, the feasibility of the multiobjective optimization method presented by this work was verified.

  18. Teager-Kaiser Energy and Higher-Order Operators in White-Light Interference Microscopy for Surface Shape Measurement

    Directory of Open Access Journals (Sweden)

    Abdel-Ouahab Boudraa

    2005-10-01

    Full Text Available In white-light interference microscopy, measurement of surface shape generally requires peak extraction of the fringe function envelope. In this paper the Teager-Kaiser energy and higher-order energy operators are proposed for efficient extraction of the fringe envelope. These energy operators are compared in terms of precision, robustness to noise, and subsampling. Flexible energy operators, depending on order and lag parameters, can be obtained. Results show that smoothing and interpolation of envelope approximation using spline model performs better than Gaussian-based approach.

  19. 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.)

  20. Synergistic estimation of surface parameters from jointly using optical and microwave observations in EOLDAS

    Science.gov (United States)

    Timmermans, Joris; Gomez-Dans, Jose; Lewis, Philip; Loew, Alexander; Schlenz, Florian

    2017-04-01

    The large amount of remote sensing data nowadays available provides a huge potential for monitoring crop development, drought conditions and water efficiency. This potential however not been realized yet because algorithms for land surface parameter retrieval mostly use data from only a single sensor. Consequently products that combine different low-level observations from different sensors are hard to find. The lack of synergistic retrieval is caused because it is easier to focus on single sensor types/footprints and temporal observation times, than to find a way to compensate for differences. Different sensor types (microwave/optical) require different radiative transfer (RT) models and also require consistency between the models to have any impact on the retrieval of soil moisture by a microwave instrument. Varying spatial footprints require first proper collocation of the data before one can scale between different resolutions. Considering these problems, merging optical and microwave observations have not been performed yet. The goal of this research was to investigate the potential of integrating optical and microwave RT models within the Earth Observation Land Data Assimilation System (EOLDAS) synergistically to derive biophysical parameters. This system uses a Bayesian data assimilation approach together with observation operators such as the PROSAIL model to estimate land surface parameters. For the purpose of enabling the system to integrate passive microwave radiation (from an ELBARRA II passive microwave radiometer), the Community Microwave Emission Model (CMEM) RT-model, was integrated within the EOLDAS system. In order to quantify the potential, a variety of land surface parameters was chosen to be retrieved from the system, in particular variables that a) impact only optical RT (such as leaf water content and leaf dry matter), b) only impact the microwave RT (such as soil moisture and soil temperature), and c) Leaf Area Index (LAI) that impacts both

  1. 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.

  2. 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.

  3. Chemical and microbiological parameters as possible indicators for human enteric viruses in surface water.

    Science.gov (United States)

    Jurzik, Lars; Hamza, Ibrahim Ahmed; Puchert, Wilfried; Uberla, Klaus; Wilhelm, Michael

    2010-06-01

    There are still conflicting results on the suitability of chemical and microbiological parameters as indicators for the viral contamination of surface waters. In this study, conducted over 20 months, the abundance of human adenovirus, human polyomavirus, enterovirus, group A rotavirus and norovirus was determined in Ruhr and Rhine rivers, Germany. Additionally, prevalence of different possible indicators such as somatic coliphages, E. coli, intestinal enterococci, and total coliforms was also considered. Moreover, the chemical parameter TCPP (tris-(2-chloro-, 1-methyl-ethyl)-phosphate), characterized by environmental stability and human origin, was included. Furthermore, chemical parameters (fluoride, chloride, nitrate, nitrite, bromide, phosphate, and sulfate) which may influence the stability and subsequently the detection rates of viruses in aquatic environment were measured. Quantitative Real-Time (RT-)PCR and double agar layer test were used for the quantification of human enteric viruses and somatic coliphages, respectively. The analyses for E. coli, total coliforms, and intestinal enterococci were done with respect to the standard reference method. The chemical parameters were measured by liquid chromatography of ions and by gas chromatography-flame photometer detector (GC-FPD), respectively. We demonstrated that human adenovirus had the highest detection rate (96.3%), followed by somatic coliphages (73.5%), human polyomavirus (68.6%), and rotavirus (63.5%). However, norovirus GII and enterovirus were found in only 25.7 and 17.8%, respectively. The concentration of the viral genome ranged between 16 and 1.1 xs 10(6) gen. equ./l (genome equivalents/l) whereas the concentrations for TCPP ranged between 0.01 and 0.9 microg/l. The results of the Pearson correlation showed no association between TCPP and any other microbiological parameter. None of the other tested chemical parameters correlated negatively, and therefore they do not influence the stability of

  4. Sensitivity of Turbine-Height Wind Speeds to Parameters in Planetary Boundary-Layer and Surface-Layer Schemes in the Weather Research and Forecasting Model

    Science.gov (United States)

    Yang, Ben; Qian, Yun; Berg, Larry K.; Ma, Po-Lun; Wharton, Sonia; Bulaevskaya, Vera; Yan, Huiping; Hou, Zhangshuan; Shaw, William J.

    2017-01-01

    We evaluate the sensitivity of simulated turbine-height wind speeds to 26 parameters within the Mellor-Yamada-Nakanishi-Niino (MYNN) planetary boundary-layer scheme and MM5 surface-layer scheme of the Weather Research and Forecasting model over an area of complex terrain. An efficient sampling algorithm and generalized linear model are used to explore the multiple-dimensional parameter space and quantify the parametric sensitivity of simulated turbine-height wind speeds. The results indicate that most of the variability in the ensemble simulations is due to parameters related to the dissipation of turbulent kinetic energy (TKE), Prandtl number, turbulent length scales, surface roughness, and the von Kármán constant. The parameter associated with the TKE dissipation rate is found to be most important, and a larger dissipation rate produces larger hub-height wind speeds. A larger Prandtl number results in smaller nighttime wind speeds. Increasing surface roughness reduces the frequencies of both extremely weak and strong airflows, implying a reduction in the variability of wind speed. All of the above parameters significantly affect the vertical profiles of wind speed and the magnitude of wind shear. The relative contributions of individual parameters are found to be dependent on both the terrain slope and atmospheric stability.

  5. 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...

  6. Change of surface colour parameters during storage of paprika (Capsicum annuum L.

    Directory of Open Access Journals (Sweden)

    Belović Miona M.

    2014-01-01

    Full Text Available The change of paprika surface colour during three years of storage was monitored by measuring CIEL*a*b* colour parameters once a year. Ten commercial and three branded paprika samples, originating from Hungary, Austria and Serbia, were stored in original packaging at ambient temperature in dark during the storage period. The colour of paprika powder was measured by Chroma Meter CR-400 (Konica Minolta, Japan, using attachment for granular materials CR-A50. Directly measured colour parameters were CIE L* (lightness, a* (+a* = redness, -a* = greenness, b* (+b* = yellowness, -b* = blueness and dominant wavelength (DWL, while derived colour parameters were chroma (C*, hue angle (h°, and total colour change (ΔE. Paprika samples had similar granulation, and therefore it was concluded that it did not influence the colour reflection. The change of reflected colour of paprika powder during storage can be characterized by increase of CIE L* and b* colour values and decrease of a* colour value. Therefore, chroma values remained almost unchanged, while hue angle showed shift in spectrum from red-orange to orange-yellow, similarly to dominant wavelength. The paprika samples changed their colour most rapidly during the first year of storage, except the branded paprika from Serbia. Commercial paprika samples from Serbian market changed their colour more rapidly comparing to other investigated samples.

  7. 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.

  8. An algorithm to use higher order invariants for modelling potential energy surface of nanoclusters

    Science.gov (United States)

    Jindal, Shweta; Bulusu, Satya S.

    2018-02-01

    In order to fit potential energy surface (PES) of gold nanoclusters, we have integrated bispectrum features with artificial neural network (ANN) learning technique in this work. We have also devised an algorithm for selecting the frequencies that need to be coupled for extracting the phase information between different frequency bands. We have found that higher order invariant like bispectrum is highly efficient in exploring the PES as compared to other invariants. The sensitivity of bispectrum can also be exploited in acting as an order parameter for calculating many thermodynamic properties of nanoclusters.

  9. Effect of stacking fault energy on high-temperature creep parameters of nickel-cobalt alloys

    International Nuclear Information System (INIS)

    Nerodenko, L.M.; Dabizha, E.V.

    1982-01-01

    Results of creep investigation are discussed for two alloys of the Ni-Co system. In terms of the structural creep model an analysis is made for the effect of stacking fault energy on averaged parameters of the dislocation structure: inovable dislocation density subgrain size, activation volume. The rate of steady-state creep is determined by the process of dislocation passing through the subgrain boundaries with activation energy of 171.0 and 211.5 kJ/mol for the Ni-25% Co and Ni-65% Co alloys, respectively

  10. 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)

  11. The influence of operational and design parameters on vertical redox profiles in sub-surface flow constructed wetlands: surveying the optimal scenario for microbial fuel cell implementation

    OpenAIRE

    Garfi, Marianna; Corbella Vidal, Clara; Puigagut Juárez, Jaume

    2013-01-01

    The objective of the present work was to determine the optimal redox gradient that can be obtained in sub-surface flow constructed wetlands (SSF CWs) to maximize the energy production with microbial fuel cells (MFCs). To this aim, a pilot plant based on SSF CW was evaluated for vertical redox profiles. Key operational and design parameters surveyed that influences redox conditions in SSF CW were the presence of plants (Phragmites australis) and the flow regime (continuous and discontinuous fl...

  12. Analytic Approximate Solutions for MHD Boundary-Layer Viscoelastic Fluid Flow over Continuously Moving Stretching Surface by Homotopy Analysis Method with Two Auxiliary Parameters

    Directory of Open Access Journals (Sweden)

    M. M. Rashidi

    2012-01-01

    Full Text Available In this study, a steady, incompressible, and laminar-free convective flow of a two-dimensional electrically conducting viscoelastic fluid over a moving stretching surface through a porous medium is considered. The boundary-layer equations are derived by considering Boussinesq and boundary-layer approximations. The nonlinear ordinary differential equations for the momentum and energy equations are obtained and solved analytically by using homotopy analysis method (HAM with two auxiliary parameters for two classes of visco-elastic fluid (Walters’ liquid B and second-grade fluid. It is clear that by the use of second auxiliary parameter, the straight line region in ℏ-curve increases and the convergence accelerates. This research is performed by considering two different boundary conditions: (a prescribed surface temperature (PST and (b prescribed heat flux (PHF. The effect of involved parameters on velocity and temperature is investigated.

  13. Lateral Trunk Surface as a new parameter to estimate live body weight by Visual Image Analysis

    Directory of Open Access Journals (Sweden)

    S. Terramoccia

    2010-02-01

    Full Text Available Live weight of 74 milking Mediterranean buffaloes (Bubalus bubalis L. have been estimated by Visual Image Analysis. The total surface of lateral profile, tested in previous researches with viable result, was substituted by the measurement of the Lateral Trunk Surface (LTrS. The measurements were recorded by a camera equipped by a laser distance recorder and data were elaborated by a specific software. This parameter, eliminating the surface of neck, head and legs, that are less easily measurable, simplified and accelerated the procedure. Correlation between LTrS and live weight was r = 0.90 (P < 0.01. A significant equation (P < 0.01 was obtained from the recorded data of a random sample of 38 buffaloes. When the validation of the equation was tested on the other 36 subjects, the estimated live weight had a mean of 691.74 kg ± 68.55. This was corresponding to a 1.08% overestimation of the real weight.

  14. Image-based Exploration of Iso-surfaces for Large Multi- Variable Datasets using Parameter Space.

    KAUST Repository

    Binyahib, Roba S.

    2013-05-13

    With an increase in processing power, more complex simulations have resulted in larger data size, with higher resolution and more variables. Many techniques have been developed to help the user to visualize and analyze data from such simulations. However, dealing with a large amount of multivariate data is challenging, time- consuming and often requires high-end clusters. Consequently, novel visualization techniques are needed to explore such data. Many users would like to visually explore their data and change certain visual aspects without the need to use special clusters or having to load a large amount of data. This is the idea behind explorable images (EI). Explorable images are a novel approach that provides limited interactive visualization without the need to re-render from the original data [40]. In this work, the concept of EI has been used to create a workflow that deals with explorable iso-surfaces for scalar fields in a multivariate, time-varying dataset. As a pre-processing step, a set of iso-values for each scalar field is inferred and extracted from a user-assisted sampling technique in time-parameter space. These iso-values are then used to generate iso- surfaces that are then pre-rendered (from a fixed viewpoint) along with additional buffers (i.e. normals, depth, values of other fields, etc.) to provide a compressed representation of iso-surfaces in the dataset. We present a tool that at run-time allows the user to interactively browse and calculate a combination of iso-surfaces superimposed on each other. The result is the same as calculating multiple iso- surfaces from the original data but without the memory and processing overhead. Our tool also allows the user to change the (scalar) values superimposed on each of the surfaces, modify their color map, and interactively re-light the surfaces. We demonstrate the effectiveness of our approach over a multi-terabyte combustion dataset. We also illustrate the efficiency and accuracy of our

  15. High-speed infrared thermography for the measurement of microscopic boiling parameters on micro- and nano-structured surfaces

    International Nuclear Information System (INIS)

    Park, Youngjae; Kim, Hyungdae; Kim, Hyungmo; Kim, Joonwon

    2014-01-01

    Micro- and nano-scale structures on boiling surfaces can enhance nucleate boiling heat transfer coefficient (HTC) and critical heat flux (CHF). A few studies were conducted to explain the enhancements of HTC and CHF using the microscopic boiling parameters. Quantitative measurements of microscopic boiling parameters are needed to understand the physical mechanism of the boiling heat transfer augmentation on structured surfaces. However, there is no existing experimental techniques to conveniently measure the boiling parameters on the structured surfaces because of the small (surfaces. The visualization results are analyzed to obtain the microscopic boiling parameters. Finally, quantitative microscopic boiling parameters are used to interpret the enhancement of HTC and CHF. In this study, liquid-vapor phase distributions of each surface were clearly visualized by IR thermography during the nucleate boiling phenomena. From the visualization results, following microscopic boiling parameters were quantitatively measured by image processing. - Number density of dry patch, NDP IR thermography technique was demonstrated by nucleate pool boiling experiments with M- and N surfaces. The enhancement of HTC and CHF could be explained by microscopic boiling parameters

  16. A geometric parameter study of piezoelectric coverage on a rectangular cantilever energy harvester

    International Nuclear Information System (INIS)

    Patel, R; McWilliam, S; Popov, A A

    2011-01-01

    This paper proposes a versatile model for optimizing the performance of a rectangular cantilever beam piezoelectric energy harvester used to convert ambient vibrations into electrical energy. The developed model accounts for geometric changes to the natural frequencies, mode shapes and damping in the structure. This is achieved through the combination of finite element modelling and a distributed parameter electromechanical model, including load resistor and charging capacitor models. The model has the potential for use in investigating the influence of numerous geometric changes on harvester performance, and incorporates a model for accounting for changes in damping as the geometry changes. The model is used to investigate the effects of substrate and piezoelectric layer length, and piezoelectric layer thickness on the performance of a microscale device. Findings from a parameter study indicate the existence of an optimum sample length due to increased mechanical damping for longer beams and improved power output using thicker piezoelectric layers. In practice, harvester design is normally based around a fixed operating frequency for a particular application, and improved performance is often achieved by operating at or near resonance. To achieve unbiased comparisons between different harvester designs, parameter studies are performed by changing multiple parameters simultaneously with the natural frequency held fixed. Performance enhancements were observed using shorter piezoelectric layers as compared to the conventional design, in which the piezoelectric layer and substrate are of equal length

  17. Determination of energy transfer parameters in Er3+-doped and Er3+, Pr3+-codoped ZBLAN glasses

    NARCIS (Netherlands)

    Marshall, Christopher; Golding, Paul S.; Jackson, Stuart D.; King, Terence A.; Pollnau, Markus

    A detailed characterization of energy level lifetimes and energy-transfer processes in Er3+-doped and Er3+, Pr3+-codoped ZBLAN bulk glasses is presented. Energy transfer upconversion parameters from the Er3+ 4I13/2 and 4I11/2 levels have been measured and are compared to energy transfer from Er3+ to

  18. Making waves: Kinetic processes controlling surface evolution during low energy ion sputtering

    International Nuclear Information System (INIS)

    Chan, W.L.; Chason, Eric

    2007-01-01

    When collimated beams of low energy ions are used to bombard materials, the surface often develops a periodic pattern or ''ripple'' structure. Different types of patterns are observed to develop under different conditions, with characteristic features that depend on the substrate material, the ion beam parameters, and the processing conditions. Because the patterns develop spontaneously, without applying any external mask or template, their formation is the expression of a dynamic balance among fundamental surface kinetic processes, e.g., erosion of material from the surface, ion-induced defect creation, and defect-mediated evolution of the surface morphology. In recent years, a comprehensive picture of the different kinetic mechanisms that control the different types of patterns that form has begun to emerge. In this article, we provide a review of different mechanisms that have been proposed and how they fit together in terms of the kinetic regimes in which they dominate. These are grouped into regions of behavior dominated by the directionality of the ion beam, the crystallinity of the surface, the barriers to surface roughening, and nonlinear effects. In sections devoted to each type of behavior, we relate experimental observations of patterning in these regimes to predictions of continuum models and to computer simulations. A comparison between theory and experiment is used to highlight strengths and weaknesses in our understanding. We also discuss the patterning behavior that falls outside the scope of the current understanding and opportunities for advancement

  19. 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.

  20. Mass hierarchy and energy scaling of the Tsallis - Pareto parameters in hadron productions at RHIC and LHC energies

    Science.gov (United States)

    Bíró, Gábor; Barnaföldi, Gergely Gábor; Biró, Tamás Sándor; Shen, Keming

    2018-02-01

    The latest, high-accuracy identified hadron spectra measurements in highenergy nuclear collisions led us to the investigation of the strongly interacting particles and collective effects in small systems. Since microscopical processes result in a statistical Tsallis - Pareto distribution, the fit parameters q and T are well suited for identifying system size scalings and initial conditions. Moreover, parameter values provide information on the deviation from the extensive, Boltzmann - Gibbs statistics in finite-volumes. We apply here the fit procedure developed in our earlier study for proton-proton collisions [1, 2]. The observed mass and center-of-mass energy trends in the hadron production are compared to RHIC dAu and LHC pPb data in different centrality/multiplicity classes. Here we present new results on mass hierarchy in pp and pA from light to heavy hadrons.

  1. Coupling a groundwater model with a land surface model to improve water and energy cycle simulation

    Directory of Open Access Journals (Sweden)

    W. Tian

    2012-12-01

    Full Text Available Water and energy cycles interact, making these two processes closely related. Land surface models (LSMs can describe the water and energy cycles on the land surface, but their description of the subsurface water processes is oversimplified, and lateral groundwater flow is ignored. Groundwater models (GWMs describe the dynamic movement of the subsurface water well, but they cannot depict the physical mechanisms of the evapotranspiration (ET process in detail. In this study, a coupled model of groundwater flow with a simple biosphere (GWSiB is developed based on the full coupling of a typical land surface model (SiB2 and a 3-D variably saturated groundwater model (AquiferFlow. In this coupled model, the infiltration, ET and energy transfer are simulated by SiB2 using the soil moisture results from the groundwater flow model. The infiltration and ET results are applied iteratively to drive the groundwater flow model. After the coupled model is built, a sensitivity test is first performed, and the effect of the groundwater depth and the hydraulic conductivity parameters on the ET are analyzed. The coupled model is then validated using measurements from two stations located in shallow and deep groundwater depth zones. Finally, the coupled model is applied to data from the middle reach of the Heihe River basin in the northwest of China to test the regional simulation capabilities of the model.

  2. 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.

  3. 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...

  4. 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.

  5. New parameter-free polarization potentials in low-energy positron collisions

    Science.gov (United States)

    Jain, Ashok

    1990-01-01

    The polarization potential plays a decisive role in shaping up the cross sections in low energy positron collisions with atoms and molecules. However, its inclusion without involving any adjustable parameter, is still a challenge. Various other techniques employed so far for positron collisions are summarized, and a new, nonadjustable and very simple form of the polarization potential for positron-atom (molecule) collisions below the threshold of positronium formation is discussed. This new recently proposed potential is based on the correlation energy of a single positron in a homogeneous electron gas. The correlation energy was calculated by solving the Schrodinger equation of the positron-electron system and fitted to an analytical form in various ranges of the density parameter. In the outside region, the correlation energy is joined smoothly with the correct asymptotic form. This new positron correlation polarization (PCOP) potential was tested on several atomic and molecular targets such as the Ar, CO, and CH4. The results on the total and differential cross sections on these targets are shown along with the experimental data where available.

  6. Experimental Research and Mathematical Modeling of Parameters Effecting on Cutting Force and SurfaceRoughness in CNC Turning Process

    Science.gov (United States)

    Zeqiri, F.; Alkan, M.; Kaya, B.; Toros, S.

    2018-01-01

    In this paper, the effects of cutting parameters on cutting forces and surface roughness based on Taguchi experimental design method are determined. Taguchi L9 orthogonal array is used to investigate the effects of machining parameters. Optimal cutting conditions are determined using the signal/noise (S/N) ratio which is calculated by average surface roughness and cutting force. Using results of analysis, effects of parameters on both average surface roughness and cutting forces are calculated on Minitab 17 using ANOVA method. The material that was investigated is Inconel 625 steel for two cases with heat treatment and without heat treatment. The predicted and calculated values with measurement are very close to each other. Confirmation test of results showed that the Taguchi method was very successful in the optimization of machining parameters for maximum surface roughness and cutting forces in the CNC turning process.

  7. Parameter Design for the Energy Regeneration System of Series Hydraulic Hybrid Bus

    Directory of Open Access Journals (Sweden)

    Song Yunpu

    2014-02-01

    Full Text Available This paper simplifies the energy recovery process in the series hydraulic hybrid bus’ energy regeneration system into a process in which the main axle’s moment of inertia drives the secondary element variable delivery pump/motor and brings hydraulic oil from the oil tank to the accumulator. This process enables braking of the vehicle and also allows recovery of energy to the accumulator. Based on the flow equation for the secondary element variable delivery pump/motor and the torque equilibrium equation for its axle, the force equilibrium equation for vehicle braking and the pressure variation and flow continuity equations for the accumulator, simulation studies are conducted to analyze the effects of various system parameters, such as accumulator capacity, displacement of the secondary element variable delivery pump/motor, initial operating pressure of the system, etc. on system performance during regenerative braking.

  8. Co-60 irradation facility for hens eggs, radiation field parameters and energy absorption in the egg

    International Nuclear Information System (INIS)

    Giese, W.; Mueller-Buder, A.

    1981-01-01

    For irradiation experiments with 33 530 hens eggs to test the effect of γ-rays on the hatchability of chicken a 60 Co irradiation facility was constructed, which is described in this article. Physical parameters of the radiation field as the dose rate caused by a 60 Co point source in a distance r, the flux of γ-quantae and energy towards an egg and the role of 60 Co betarays are quantitatively described. The intensity decrease, the dose build-up factor and energy absorption due to the interaction of γ-rays with atoms of the eggs content were calculated. Thus this contribution should give an impression of the physical processes involved in the γ-irradiation of eggs and on the magnitude of energy absorbed therein. (orig.) [de

  9. Critical insight into the influence of the potential energy surface on fission dynamics

    International Nuclear Information System (INIS)

    Mazurek, K.; Schmitt, C.; Wieleczko, J. P.; Ademard, G.; Nadtochy, P. N.

    2011-01-01

    The present work is dedicated to a careful investigation of the influence of the potential energy surface on the fission process. The time evolution of nuclei at high excitation energy and angular momentum is studied by means of three-dimensional Langevin calculations performed for two different parametrizations of the macroscopic potential: the Finite Range Liquid Drop Model (FRLDM) and the Lublin-Strasbourg Drop (LSD) prescription. Depending on the mass of the system, the topology of the potential throughout the deformation space of interest in fission is observed to noticeably differ within these two approaches, due to the treatment of curvature effects. When utilized in the dynamical calculation as the driving potential, the FRLDM and LSD models yield similar results in the heavy-mass region, whereas the predictions can be strongly dependent on the Potential Energy Surface (PES) for medium-mass nuclei. In particular, the mass, charge, and total kinetic energy distributions of the fission fragments are found to be narrower with the LSD prescription. The influence of critical model parameters on our findings is carefully investigated. The present study sheds light on the experimental conditions and signatures well suited for constraining the parametrization of the macroscopic potential. Its implication regarding the interpretation of available experimental data is briefly discussed.

  10. A New Energy-Critical Plane Damage Parameter for Multiaxial Fatigue Life Prediction of Turbine Blades

    Directory of Open Access Journals (Sweden)

    Zheng-Yong Yu

    2017-05-01

    Full Text Available As one of fracture critical components of an aircraft engine, accurate life prediction of a turbine blade to disk attachment is significant for ensuring the engine structural integrity and reliability. Fatigue failure of a turbine blade is often caused under multiaxial cyclic loadings at high temperatures. In this paper, considering different failure types, a new energy-critical plane damage parameter is proposed for multiaxial fatigue life prediction, and no extra fitted material constants will be needed for practical applications. Moreover, three multiaxial models with maximum damage parameters on the critical plane are evaluated under tension-compression and tension-torsion loadings. Experimental data of GH4169 under proportional and non-proportional fatigue loadings and a case study of a turbine disk-blade contact system are introduced for model validation. Results show that model predictions by Wang-Brown (WB and Fatemi-Socie (FS models with maximum damage parameters are conservative and acceptable. For the turbine disk-blade contact system, both of the proposed damage parameters and Smith-Watson-Topper (SWT model show reasonably acceptable correlations with its field number of flight cycles. However, life estimations of the turbine blade reveal that the definition of the maximum damage parameter is not reasonable for the WB model but effective for both the FS and SWT models.

  11. Computer simulation for prediction of performance and thermodynamic parameters of high energy materials.

    Science.gov (United States)

    Muthurajan, H; Sivabalan, R; Talawar, M B; Asthana, S N

    2004-08-09

    A new code viz., Linear Output Thermodynamic User-friendly Software for Energetic Systems (LOTUSES) developed during this work predicts the theoretical performance parameters such as density, detonation factor, velocity of detonation, detonation pressure and thermodynamic properties such as heat of detonation, heat of explosion, volume of explosion gaseous products. The same code also assists in the prediction of possible explosive decomposition products after explosion and power index. The developed code has been validated by calculating the parameters of standard explosives such as TNT, PETN, RDX, and HMX. Theoretically predicated parameters are accurate to the order of +/-5% deviation. To the best of our knowledge, no such code is reported in literature which can predict a wide range of characteristics of known/unknown explosives with minimum input parameters. The code can be used to obtain thermochemical and performance parameters of high energy materials (HEMs) with reasonable accuracy. The code has been developed in Visual Basic having enhanced windows environment, and thereby advantages over the conventional codes, written in Fortran. The theoretically predicted HEMs performance can be directly printed as well as stored in text (.txt) or HTML (.htm) or Microsoft Word (.doc) or Adobe Acrobat (.pdf) format in the hard disk. The output can also be copied into the Random Access Memory as clipboard text which can be imported/pasted in other software as in the case of other codes.

  12. 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

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. Influence of constant magnetic field on the tribological parameters of rubbing couples steel-brass in surface active substances

    Directory of Open Access Journals (Sweden)

    М.М. Свирид

    2009-03-01

    Full Text Available  Maintainability of surfaces of sensitive pairs of friction is analysed in surroundings with high electrical resistance in the conditions of friction. The model of tribological unit, determining conditions and conformities to the law of formation of protective tribological pellicles, is worked out. The parameters of reparation of friction surfaces are determined by a tribomagnetic method. The parameters of renewal of sensitive tribopairs are also defined on uncollapsible technologies by joint influence of triboelectrochemical method and tribomagnetic components.

  18. 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.

  19. [Light reflection zone on the incisors' surface--a new parameter for smile esthetics evaluation].

    Science.gov (United States)

    Brezniak, N; Wasserstein, A; Shmuli, T

    2012-07-01

    The light reflection zone (LRZ) is a bright white dot or area that appears on the surface of the maxillary central incisors and/or the gingiva of the front teeth, visible in intra-oral and smile extra-oral photographs. Previously, a positive correlation between the location of the LRZ as observed in intra-oral frontal photographs and the inclination of the upper central incisors as measured on lateral headfims was found. The purpose of this study was to find whether this LRZ location can serve as a new parameter influencing the level of smile esthetics. Twelve pairs of facial photographs, including 10 of ordinary smiling persons and 2 of smiling models, were presented to 138 participants. The only difference between each pair was the location of the LRZ that was moved, compared to the original photograph, gingivally or incisally respectively, using Photoshop (Adobe). Each participant was asked to mark whether he/she noticed a difference between the 2 pictures, and if so, to score the nicer smile. Data analysis was carried out using Chi square test and Fisher's exact test (SPSS v17). The results showed that most of the participants did not recognize the differences between the pairs however, when differences were recognized, most of the participants pointed on the smile where the LRZ was located gingivally as the nicer one. This result was with statistical significance for the 2 models (p < 0.05), In conclusion, the LRZ is a new, yet unrecognized, parameter that can serve as a tool for the diagnosis of esthetic smile. The general population defines a nicer smile when the LRZ is located in the gingival area of the upper central incisors' surface rather than the incisal third. The LRZ should probably be studied not only in Orthodontics but also in other branches of dentistry.

  20. An overview of ENSO signature on the surface parameters of the tropical Pacific ocean

    Directory of Open Access Journals (Sweden)

    1998-01-01

    is the planet’s most powerful climatic event at the interannual time scale. In this note, the ENSO-related variability is described and analyzed for key tropical Pacific oceanic and atmospheric parameters. These parameters consist of sea-surface temperature and salinity, 0/450 dbar dynamic height anomaly (i. e., an alias for sea level, surface wind and precipitation collected during the 1961-1995 period. The ENSO-related signals are extracted from an Empirical Orthogonal Function (EOF analysis performed on the low-pass filtered time series. For each parameter, the EOF analysis pinpoints the locations and times of notable ENSO-related variations in a concise manner.

  1. 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...

  2. 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].

  3. 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].

  4. Mammalian gastrointestinal tract parameters modulating the integrity, surface properties, and absorption of food-relevant nanomaterials.

    Science.gov (United States)

    Bellmann, Susann; Carlander, David; Fasano, Alessio; Momcilovic, Dragan; Scimeca, Joseph A; Waldman, W James; Gombau, Lourdes; Tsytsikova, Lyubov; Canady, Richard; Pereira, Dora I A; Lefebvre, David E

    2015-01-01

    Many natural chemicals in food are in the nanometer size range, and the selective uptake of nutrients with nanoscale dimensions by the gastrointestinal (GI) tract is a normal physiological process. Novel engineered nanomaterials (NMs) can bring various benefits to food, e.g., enhancing nutrition. Assessing potential risks requires an understanding of the stability of these entities in the GI lumen, and an understanding of whether or not they can be absorbed and thus become systemically available. Data are emerging on the mammalian in vivo absorption of engineered NMs composed of chemicals with a range of properties, including metal, mineral, biochemical macromolecules, and lipid-based entities. In vitro and in silico fluid incubation data has also provided some evidence of changes in particle stability, aggregation, and surface properties following interaction with luminal factors present in the GI tract. The variables include physical forces, osmotic concentration, pH, digestive enzymes, other food, and endogenous biochemicals, and commensal microbes. Further research is required to fill remaining data gaps on the effects of these parameters on NM integrity, physicochemical properties, and GI absorption. Knowledge of the most influential luminal parameters will be essential when developing models of the GI tract to quantify the percent absorption of food-relevant engineered NMs for risk assessment. © 2015 The Authors. WIREs Nanomedicine and Nanobiotechnology published by Wiley Periodicals, Inc.

  5. 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.

  6. 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.

  7. An Accurate Potential Energy Surface for H2O

    Science.gov (United States)

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

    1997-01-01

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

  8. Surface Meteorology and Solar Energy (SSE) Data Release 5.1

    Science.gov (United States)

    Stackhouse, Paul W. (Principal Investigator)

    The Surface meteorology and Solar Energy (SSE) data set contains over 200 parameters formulated for assessing and designing renewable energy systems.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. [Location=GLOBAL] [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] [Data_Resolution: Latitude_Resolution=1 degree; Longitude_Resolution=1 degree].

  9. Comparison of effects of machine performance parameters and energy indices of soybean production in conservation and conventional tillage systems

    Directory of Open Access Journals (Sweden)

    A Sharifi

    2016-09-01

    Full Text Available Introduction Nowadays, agricultural systems are seeking economic, ecological and bioenvironmental goals for production of agricultural crops with protection and sustainability of the environment. Therefore, there is need to extend sustainable agricultural systems such as conservation agriculture. One of the principles of conservation agriculture is conservation tillage. Conservation tillage is a kind of tillage that retains crop residues on the soil surface or mixes it with soil using related machines. It could also affect on machine performance parameters. Energy consumption for producing one kilogram crop could be studied for conservation tillage. Several researchers have conducted studies on this issue for production of different crops including wheat, sunflower and forage crops. This study conducted to assess machine performance parameters and energy indices of conservation tillage systems for soybean cultivation in Golestan province. Materials and Methods This study was conducted to investigate the effects of conservation tillage systems on machine performance and energy indices in soybean production at the Gorgan research station of Golestan Agricultural and Natural Resource Research Center in 2012. The precipitation was 450 mm. Soil texture was silty clay loam. Treatments were four tillage methods, including no-till using row crop direct planter, no-till using grain direct drill, conventional tillage usin a disk harrow with working depth of 10-15 cm and minimum tillage using chisel packer with a working depth of 20 cm. Machine performance parameters and energy indices studied in a farm covered by wheat residues in a randomized complete block design (RCBD with four treatments and four replications. Machine performance parameters consisted of field efficiency, field capacity, total field capacity and planting uniformity index were measured. Energy indices such as energy ratio, energy productivity, energy intensity and net energy gain were

  10. Surface morphology of laser tracks used for forming the non-smooth biomimetic unit of 3Cr2W8V steel under different processing parameters

    International Nuclear Information System (INIS)

    Zhang Zhihui; Zhou Hong; Ren Luquan; Tong Xin; Shan Hongyu; Li Xianzhou

    2008-01-01

    Aiming to form the high quality of non-smooth biomimetic unit, the influence of laser processing parameters (pulse energy, pulse duration, frequency and scanning speed in the present work) on the surface morphology of scanned tracks was studied based on the 3Cr2W8V die steel. The evolution of the surface morphology was explained according to the degree of melting and vaporization of surface material, and the trend of mean surface roughness and maximum peak-to-valley height. Cross-section morphology revealed the significant microstructural characteristic of the laser-treated zone used for forming the functional zone on the biomimetic surface. Results showed that the combination of pulse energy and pulse duration plays a major role in determining the local height difference on the irradiated surface and the occurrence of melting or vaporization. While frequency and scanning speed have a minor effect on the change of the surface morphology, acting mainly by the different overlapping amount and overlapping mode. The mechanisms behind these influences were discussed, and schematic drawings were introduced to describe the mechanisms

  11. Energy parameters of lasers utilizing erbium glasses sensitized with ytterbium and chromium

    Energy Technology Data Exchange (ETDEWEB)

    Lunter, S.G.; Murzin, A.G.; Tolstoi, M.N.; Fedorov, Y.K.; Fromzel' , V.A.

    1984-01-01

    An experimental investigation was made of the effect of sensitizing ytterbium- and erbium-activated lead barium phosphate glasses with Cr/sup 3 +/ ions on the energy parameters of lasing due to the /sup 4/I/sub 13//sub ///sub 2/--/sup 4/I/sub 15//sub ///sub 2/ transition in Er/sup 3 +/ ions (lambda/sub l/ = 1.54 ..mu..). It was found that substantial sensitization was achieved in phosphate glasses for only low concentrations of Cr/sup 3 +/ ions (< or approx. =0.07 wt.%) so that the efficiency of flashlamp-pumped erbium lasers could be improved by a factor of 1.5--4. The optimal conditions for achieving the best energy parameters of these lasers under free-lasing conditions were determined allowing for the spectral and energy distributions of the flashlamp radiation in the absorption range of the coactivator ions. By implementing these conditions using active elements 6 mm in diameter and 85 mm long, containing 17 wt.% Yb/sub 2/O/sub 3/, 0.25 wt.% Er/sub 2/O/sub 3/, and 0.07 wt.% Cr/sub 2/O/sub 3/, it was possible to achieve an efficiency of 1.2% for an electrical pump energy of 1 kJ. This was the highest efficiency achieved so far for erbium lasers. Measurements were made of the efficiency of transfer of the excitation energy from Cr/sup 3 +/ ions to Yb/sup 3 +/ ions at high levels of excitation of the medium.

  12. Analysis of parameter and interaction between parameter of the microwave assisted transesterification process of coconut oil using response surface methodology

    Science.gov (United States)

    Hidayanti, Nur; Suryanto, A.; Qadariyah, L.; Prihatini, P.; Mahfud, Mahfud

    2015-12-01

    A simple batch process was designed for the transesterification of coconut oil to alkyl esters using microwave assisted method. The product with yield above 93.225% of alkyl ester is called the biodiesel fuel. Response surface methodology was used to design the experiment and obtain the maximum possible yield of biodiesel in the microwave-assisted reaction from coconut oil with KOH as the catalyst. The results showed that the time reaction and concentration of KOH catalyst have significant effects on yield of alkyl ester. Based on the response surface methodology using the selected operating conditions, the time of reaction and concentration of KOH catalyst in transesterification process were 150 second and 0.25%w/w, respectively. The largest predicted and experimental yield of alkyl esters (biodiesel) under the optimal conditions are 101.385% and 93.225%, respectively. Our findings confirmed the successful development of process for the transesterification reaction of coconut oil by microwave-assisted heating, which is effective and time-saving for alkyl ester production.

  13. Static vs. mobile sink: The influence of basic parameters on energy efficiency in wireless sensor networks

    Science.gov (United States)

    Khan, Majid I.; Gansterer, Wilfried N.; Haring, Guenter

    2013-01-01

    Over the last decade a large number of routing protocols has been designed for achieving energy efficiency in data collecting wireless sensor networks. The drawbacks of using a static sink are well known. It has been argued in the literature that a mobile sink may improve the energy dissipation compared to a static one. Some authors focus on minimizing Emax, the maximum energy dissipation of any single node in the network, while others aim at minimizing Ebar, the average energy dissipation over all nodes. In our paper we take a more holistic view, considering both Emax and Ebar. The main contribution of this paper is to provide a simulation-based analysis of the energy efficiency of WSNs with static and mobile sinks. The focus is on two important configuration parameters: mobility path of the sink and duty cycling value of the nodes. On the one hand, it is well known that in the case of a mobile sink with fixed trajectory the choice of the mobility path influences energy efficiency. On the other hand, in some types of applications sensor nodes spend a rather large fraction of their total lifetime in idle mode, and therefore higher energy efficiency can be achieved by using the concept of reduced duty cycles. In particular, we quantitatively analyze the influence of duty cycling and the mobility radius of the sink as well as their interrelationship in terms of energy consumption for a well-defined model scenario. The analysis starts from general load considerations and is refined into a geometrical model. This model is validated by simulations which are more realistic in terms of duty cycling than previous work. It is illustrated that over all possible configuration scenarios in terms of duty cycle and mobility radius of the sink the energy dissipation in the WSN can vary up to a factor of nine in terms of Emax and up to a factor of 17 in terms of Ebar. It turns out that in general the choice of the duty cycle value is more important for achieving energy efficiency

  14. Static vs. mobile sink: The influence of basic parameters on energy efficiency in wireless sensor networks.

    Science.gov (United States)

    Khan, Majid I; Gansterer, Wilfried N; Haring, Guenter

    2013-05-15

    Over the last decade a large number of routing protocols has been designed for achieving energy efficiency in data collecting wireless sensor networks. The drawbacks of using a static sink are well known. It has been argued in the literature that a mobile sink may improve the energy dissipation compared to a static one. Some authors focus on minimizing Emax , the maximum energy dissipation of any single node in the network, while others aim at minimizing Ebar , the average energy dissipation over all nodes. In our paper we take a more holistic view, considering both Emax and Ebar . The main contribution of this paper is to provide a simulation-based analysis of the energy efficiency of WSNs with static and mobile sinks. The focus is on two important configuration parameters: mobility path of the sink and duty cycling value of the nodes. On the one hand, it is well known that in the case of a mobile sink with fixed trajectory the choice of the mobility path influences energy efficiency. On the other hand, in some types of applications sensor nodes spend a rather large fraction of their total lifetime in idle mode, and therefore higher energy efficiency can be achieved by using the concept of reduced duty cycles. In particular, we quantitatively analyze the influence of duty cycling and the mobility radius of the sink as well as their interrelationship in terms of energy consumption for a well-defined model scenario. The analysis starts from general load considerations and is refined into a geometrical model. This model is validated by simulations which are more realistic in terms of duty cycling than previous work. It is illustrated that over all possible configuration scenarios in terms of duty cycle and mobility radius of the sink the energy dissipation in the WSN can vary up to a factor of nine in terms of Emax and up to a factor of 17 in terms of Ebar. It turns out that in general the choice of the duty cycle value is more important for achieving energy

  15. Constraining the dynamical dark energy parameters: Planck-2013 vs WMAP9

    Science.gov (United States)

    Novosyadlyj, B.; Sergijenko, O.; Durrer, R.; Pelykh, V.

    2014-05-01

    We determine the best-fit values and confidence limits for dynamical dark energy parameters together with other cosmological parameters on the basis of different datasets which include WMAP9 or Planck-2013 results on CMB anisotropy, BAO distance ratios from recent galaxy surveys, magnitude-redshift relations for distant SNe Ia from SNLS3 and Union2.1 samples and the HST determination of the Hubble constant. We use a Markov Chain Monte Carlo routine to map out the likelihood in the multi-dimensional parameter space. We show that the most precise determination of cosmological parameters with the narrowest confidence limits is obtained for the Planck+HST+BAO+SNLS3 dataset. The best-fit values and 2σ confidence limits for cosmological parameters in this case are Ωde = 0.718±0.022, w0 = -1.15+0.14-0.16, ca2 = -1.15+0.02-0.46, Ωbh2 = 0.0220±0.0005, Ωcdmh2 = 0.121±0.004, h = 0.713±0.027, ns = 0.958+0.014-0.010, As = (2.215+0.093-0.101)ṡ10-9, τrei = 0.093+0.022-0.028. For this dataset, the ΛCDM model is just outside the 2σ confidence region, while for the dataset WMAP9+HST+BAO+SNLS3 the ΛCDM model is only 1σ away from the best fit. The tension in the determination of some cosmological parameters on the basis of two CMB datasets WMAP9 and Planck-2013 is highlighted.

  16. Key parameters of the sediment surface morphodynamics in an estuary - An assessment of model solutions

    Science.gov (United States)

    Sampath, D. M. R.; Boski, T.

    2018-05-01

    Large-scale geomorphological evolution of an estuarine system was simulated by means of a hybrid estuarine sedimentation model (HESM) applied to the Guadiana Estuary, in Southwest Iberia. The model simulates the decadal-scale morphodynamics of the system under environmental forcing, using a set of analytical solutions to simplified equations of tidal wave propagation in shallow waters, constrained by empirical knowledge of estuarine sedimentary dynamics and topography. The key controlling parameters of the model are bed friction (f), current velocity power of the erosion rate function (N), and sea-level rise rate. An assessment of sensitivity of the simulated sediment surface elevation (SSE) change to these controlling parameters was performed. The model predicted the spatial differentiation of accretion and erosion, the latter especially marked in the mudflats within mean sea level and low tide level and accretion was mainly in a subtidal channel. The average SSE change mutually depended on both the friction coefficient and power of the current velocity. Analysis of the average annual SSE change suggests that the state of intertidal and subtidal compartments of the estuarine system vary differently according to the dominant processes (erosion and accretion). As the Guadiana estuarine system shows dominant erosional behaviour in the context of sea-level rise and sediment supply reduction after the closure of the Alqueva Dam, the most plausible sets of parameter values for the Guadiana Estuary are N = 1.8 and f = 0.8f0, or N = 2 and f = f0, where f0 is the empirically estimated value. For these sets of parameter values, the relative errors in SSE change did not exceed ±20% in 73% of simulation cells in the studied area. Such a limit of accuracy can be acceptable for an idealized modelling of coastal evolution in response to uncertain sea-level rise scenarios in the context of reduced sediment supply due to flow regulation. Therefore, the idealized but cost

  17. Effects of Dietary Energy Levels on the Physiological Parameters and Reproductive Performance of Gestating Gilts.

    Science.gov (United States)

    Jin, S S; Jung, S W; Jang, J C; Chung, W L; Jeong, J H; Kim, Y Y

    2016-07-01

    This experiment was conducted to investigate the effects of dietary energy levels on the physiological parameters and reproductive performance of gestating first parity sows. A total of 52 F1 gilts (Yorkshire×Landrace) were allocated to 4 dietary treatments using a completely randomized design. Each treatment contained diets with 3,100, 3,200, 3,300, or 3,400 kcal of metabolizable energy (ME)/kg, and the daily energy intake of the gestating gilts in each treatment were 6,200, 6,400, 6,600, and 6,800 kcal of ME, respectively. During gestation, the body weight (p = 0.04) and weight gain (p = 0.01) of gilts linearly increased with increasing dietary energy levels. Backfat thickness was not affected at d110 of gestation by dietary treatments, but increased linearly (p = 0.05) from breeding to d 110 of gestation. There were no significant differences on the litter size or litter birth weight. During lactation, the voluntary feed intake of sows tended to decrease when the dietary energy levels increased (p = 0.08). No difference was observed in backfat thickness of the sows within treatments; increasing energy levels linearly decreased the body weight of sows (pgilt should be between 6,678 and 7,932 kcal of ME/d. Similarly, our results suggested that 3,100 kcal of ME/kg is not enough to maintain the reproductive performance for gilts during gestation with 2 kg feed daily. Gilts in the treatment 3,400 kcal of ME/kg have a higher weaning number of piglets, but bodyweight and backfat loss were higher than other treatments during lactation. But bodyweight and backfat loss were higher than other treatments during lactation. Consequently, an adequate energy requirement of gestating gilts is 6,400 kcal of ME/d.

  18. 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.

  19. Modelling the effect of race surface and racehorse limb parameters on in silico fetlock motion and propensity for injury.

    Science.gov (United States)

    Symons, J E; Hawkins, D A; Fyhrie, D P; Upadhyaya, S K; Stover, S M

    2017-09-01

    The metacarpophalangeal joint (fetlock) is the most commonly affected site of racehorse injury, with multiple observed pathologies consistent with extreme fetlock dorsiflexion. Race surface mechanics affect musculoskeletal structure loading and injury risk because surface forces applied to the hoof affect limb motions. Race surface mechanics are a function of controllable factors. Thus, race surface design has the potential to reduce the incidence of musculoskeletal injury through modulation of limb motions. However, the relationship between race surface mechanics and racehorse limb motions is unknown. To determine the effect of changing race surface and racehorse limb model parameters on distal limb motions. Sensitivity analysis of in silico fetlock motion to changes in race surface and racehorse limb parameters using a validated, integrated racehorse and race surface computational model. Fetlock motions were determined during gallop stance from simulations on virtual surfaces with differing average vertical stiffness, upper layer (e.g. cushion) depth and linear stiffness, horizontal friction, tendon and ligament mechanics, as well as fetlock position at heel strike. Upper layer depth produced the greatest change in fetlock motion, with lesser depths yielding greater fetlock dorsiflexion. Lesser fetlock changes were observed for changes in lower layer (e.g. base or pad) mechanics (nonlinear), as well as palmar ligament and tendon stiffness. Horizontal friction and fetlock position contributed less than 1° change in fetlock motion. Simulated fetlock motions are specific to one horse's anatomy reflected in the computational model. Anatomical differences among horses may affect the magnitude of limb flexion, but will likely have similar limb motion responses to varied surface mechanics. Race surface parameters affected by maintenance produced greater changes in fetlock motion than other parameters studied. Simulations can provide evidence to inform race surface

  20. A Parameter-Free Semilocal Exchange Energy Functional for Two-Dimensional Quantum Systems.

    Science.gov (United States)

    Patra, Abhilash; Jana, Subrata; Samal, Prasanjit

    2018-03-26

    The method of constructing semilocal density functional for exchange in two dimensions using one of the premier approaches, i.e., density matrix expansion, is revisited, and an accurate functional is constructed. The form of the functional is quite simple and includes no adjustable semiempirical parameters. In it, the kinetic energy dependent momentum is used to compensate nonlocal effects of the system. The functional is then examined by considering the very well-known semiconductor quantum dot systems. And despite its very simple form, the results obtained for quantum dots containing a higher number of electrons agrees pretty well with that of the standard exact exchange theory. Some of the desired properties relevant for the two-dimensional exchange functional and the lower bound associated with it are also discussed. It is observed that the above parameter-free semilocal exchange functional satisfies most of the discussed conditions.

  1. Estimating Parameter Uncertainty in Binding-Energy Models by the Frequency-Domain Bootstrap

    Science.gov (United States)

    Bertsch, G. F.; Bingham, Derek

    2017-12-01

    We propose using the frequency-domain bootstrap (FDB) to estimate errors of modeling parameters when the modeling error is itself a major source of uncertainty. Unlike the usual bootstrap or the simple χ2 analysis, the FDB can take into account correlations between errors. It is also very fast compared to the Gaussian process Bayesian estimate as often implemented for computer model calibration. The method is illustrated with a simple example, the liquid drop model of nuclear binding energies. We find that the FDB gives a more conservative estimate of the uncertainty in liquid drop parameters than the χ2 method, and is in fair accord with more empirical estimates. For the nuclear physics application, there are no apparent obstacles to apply the method to the more accurate and detailed models based on density-functional theory.

  2. Study of an effective structural system with rational parameters based on main energy principles

    Directory of Open Access Journals (Sweden)

    Toporkova Katerina

    2017-01-01

    Full Text Available The effective architectural and construction system with rational parameters based on main energy principles applied to construction of buildings and constructions with a small-step and large-step frames, representing the metal frame of full factory production collected in spatial system on high-strength bolts and previously strained combined prestressed concrete slabs which formed without timbering is proposed in this paper. The main constructive and technological features of the proposed frame, which allows reducing construction period, increasing working efficiency, and reducing labor intensity by using factory-made materials, quick erection of all process elements through the use of highstrength bolts is considered. The advantages of this constructive system in comparison with alternative systems are shown. The basic concepts of "rational decisions" to the design, namely, the objective of the optimal management of the structure parameters, which can not only improve its basic performance indicators, but also, and most importantly, improve operational reliability, is presented.

  3. Protein-energy supplementation for lambs: feed intake, ingestive behavior, rumen parameters and nutrient digestibility

    Directory of Open Access Journals (Sweden)

    Pâmila Carolini Gonçalves da Silva

    2017-08-01

    Full Text Available The study evaluated the effects of dietary protein-energy supplementation on feed intake, ingestive behavior, rumen parameters and nutrient digestibility in lambs. Four castrated lambs with 31.9 kg mean body weight and fistulated rumen were tested. distributed into latin square design (4x4, four treatments were tested over four periods of time: no supplementation (control or with supplementation at 8, 16 and 24 g kg-1 body weight. The supplement (soybean meal, soybean hulls, ground corn and minerals was provided with roughage (Tifton Bermudagrass, Cynodon spp., hay, which was offered ad libitum once a day, at 8h00. In treatments receiving 0 (control, 8, 16 and 24 g kg-1 supplementation, dry matter intake was 685.26, 742.86, 842.51 and 1013.33 g day-1, crude protein intake was 80.18, 95.98, 118.64, 150.14 g day-1 and metabolizable energy intake 1.55, 1.91, 2.31 and 2.98 g day-1, respectively. Treatments receiving the highest supplementation levels spent less time with rumination and feeding and rested for longer (P < 0.05. Protein-energy supplementation level did not affect rumen parameters. Average rumen pH was 6.3 and rumen ammonia nitrogen 165 mg dL-1; both were affected by sampling time. Supplementation levels until 24 g kg-1 BW improves feed intake and nutrient digestibility linearly and changes ingestive behavior, lowering rumination time without affecting rumen parameters.

  4. Study of Relation between Shot Peening Parameters and Fatigue Fracture Surface Character of an AW 7075 Aluminium Alloy

    Directory of Open Access Journals (Sweden)

    Libor Trško

    2018-02-01

    Full Text Available Shot peening is a well-known surface treatment method used for fatigue life improvement of cyclically loaded structural components. Since three main variables are considered in the peening process (peening intensity, coverage and peening media type, there is no direct way to choose the best combination of treatment parameters for the best performance, thus it has to be based on experience and laboratory tests. When shot peening is performed with inadequate parameters, or the peening process is not stable in time (decrease of the peening pressure, deterioration of the peening media and so on, it can result in significant degradation of the treated component fatigue properties, what is commonly called as the “overpeening” effect. When a premature fatigue fracture occurs in operation, the fracture surface analysis is usually the most important method of revealing the damage mechanism. This work is aimed at the study of the relation between the shot peening parameters and the fatigue fracture surface character on an AW 7075 aluminium alloy with an objective of identifying marks of overpeening and investigating the fatigue crack initiation mechanism. After performing the tests, it was observed that shot peening with optimized parameters creates a surface layer that is able to change the mechanism of the fatigue crack propagation and improve fatigue strength. On the other hand, using extensive peening parameters decrease the fatigue strength due to the creation of surface cracks and surface layer delamination.

  5. 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.

  6. 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.

  7. 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.

  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. A critical discussion of the extraction of the {rho} - parameter at high energy hadron scattering

    Energy Technology Data Exchange (ETDEWEB)

    Nicolescu, B. [Paris-11 Univ., 91 - Orsay (France). Inst. de Physique Nucleaire

    1996-12-31

    A new and general method is proposed for the extraction of the semi theoretical {rho}-parameter from the raw dN/dt data. By using this method it is shown that the exponential form of the hadron amplitude in the diffraction peak at high energy is doubtful and that the value {rho} = 0.135 {+-} 0.015, extracted from the very precise UA4/2 dN/dt data at {radical}s 541 GeV, is probably wrong. (author) 4 refs.

  11. The same number of optimized parameters scheme for determining intermolecular interaction energies

    DEFF Research Database (Denmark)

    Kristensen, Kasper; Ettenhuber, Patrick; Eriksen, Janus Juul

    2015-01-01

    We propose the Same Number Of Optimized Parameters (SNOOP) scheme as an alternative to the counterpoise method for treating basis set superposition errors in calculations of intermolecular interaction energies. The key point of the SNOOP scheme is to enforce that the number of optimized wave...... as numerically. Numerical results for second-order Møller-Plesset perturbation theory (MP2) and coupled-cluster with single, double, and approximate triple excitations (CCSD(T)) show that the SNOOP scheme in general outperforms the uncorrected and counterpoise approaches. Furthermore, we show that SNOOP...

  12. Anisotropic dark energy model with a special form of deceleration parameter

    International Nuclear Information System (INIS)

    Katore, S.D.; Shaikh, A.Y.

    2015-01-01

    Anisotropic Bianchi type-VI0 universe with variable equation of state (EoS) parameter is obtained in a scalar-tensor theory of gravitation proposed by Saez and Ballester (Phys. Lett. A 113 (1986) 467). It is observed that the dark energy cosmological model always represents an accelerated and expanding universe and also consistent with the recent observations of type-Ia supernovae. The physical and kinematical properties of the universe have been discussed. PACS codes: 04.30.Nk, 98.80.Cq, 98.70Vc

  13. On the problem of monitoring the neutron parameters of the Fast Energy Amplifier

    Energy Technology Data Exchange (ETDEWEB)

    Behringer, K.; Wydler, P

    1998-10-01

    The conceptual Fast Energy Amplifier, proposed by Rubbia et al. (1995), consists of a combination of a U-233/Th-232 fuelled fast-neutron subcritical facility with a proton accelerator. An intense beam of 1 GeV protons is injected into liquid lead at the core centre and drives the reactor by producing spallation neutrons. The burst of spallation neutrons produced by a single proton alters the basic neutron statistics which are well known for thermal neutrons in conventional nuclear reactors. A short assessment of standard neutron noise analysis methods is made with respect to monitoring neutron parameter data. (author) 18 refs., 14 figs., 3 tabs.

  14. Analysis of process parameters in surface grinding using single objective Taguchi and multi-objective grey relational grade

    Directory of Open Access Journals (Sweden)

    Prashant J. Patil

    2016-09-01

    Full Text Available Close tolerance and good surface finish are achieved by means of grinding process. This study was carried out for multi-objective optimization of MQL grinding process parameters. Water based Al2O3 and CuO nanofluids of various concentrations are used as lubricant for MQL system. Grinding experiments were carried out on instrumented surface grinding machine. For experimentation purpose Taguchi's method was used. Important process parameters that affect the G ratio and surface finish in MQL grinding are depth of cut, type of lubricant, feed rate, grinding wheel speed, coolant flow rate, and nanoparticle size. Grinding performance was calculated by the measurement G ratio and surface finish. For improvement of grinding process a multi-objective process parameter optimization is performed by use of Taguchi based grey relational analysis. To identify most significant factor of process analysis of variance (ANOVA has been used.

  15. Structural and surface energy analysis of nitrogenated ta-C films

    International Nuclear Information System (INIS)

    Rahman, MD. Anisur; Soin, N.; Maguire, P.; D'Sa, R.A.; Roy, S.S.; Mahony, C.M.O.; Lemoine, P.; McCann, R.; Mitra, S.K.; McLaughlin, J.A.D.

    2011-01-01

    Surface and bulk properties of the Filtered Cathodic Vacuum Arc prepared nitrogenated tetrahedral amorphous carbon (ta-C:N) films were characterized by X-ray Photoelectron Spectroscopy (XPS), Time of Flight Secondary Ion Mass Spectroscopy (ToF-SIMS), Raman spectroscopy, Atomic Force microscopy and contact angle techniques. An increase in the Nitrogen (N) content of the films is accompanied by a reduction in the sp 3 fraction, confirmed via the deconvolution of the C 1 s XPS spectra. Critical Raman parameters such as peak position and peak width of the G band, defect ratio, I D /I G and skewness of the G line were analyzed as a function of N content. ToF-SIMS showed the variance of chemical composition with the increase in the sputtering depth. While some amount of incorporated oxygen and hydrogen were observed for all films; for high N content ta-C:N films signature of CN bonds was evident. Surface energies (both polar and dispersive components) for these ta-C:N films were analyzed in a geometric mean approach. Contact angle measurements using both deionized water and ethylene glycol reveal that upon the insertion of nitrogen into ta-C films, the initial change in the contact angle is sharp, followed by a gradual decrease with subsequent increase in N content. The variation of contact angle with increasing N content corresponds to an increase of the total surface energy with an increase of the polar component and a decrease of the dispersive component.

  16. Identification of key parameters determining Danish homeowners' willingness and motivation for energy renovations

    DEFF Research Database (Denmark)

    Mortensen, Andrea; Heiselberg, Per Kvols; Knudstrup, Mary-Ann

    2016-01-01

    or if there are significant differences among the homeowners, what causes these differences and how does this affect the future motivation strategy. The key parameters for if and how the homeowner can be motivated are related to the homeowner’s position in life: age, children’s’ age, time of ownership, occupation and income......In Denmark and around Europe there is a problem of motivating homeowners to conduct energy renovation. A great energy saving potential is found in the Danish single-family houses erected 1960-79, but the potential has not been utilized for various reasons. However, studies have shown...... that the average Danish single-family house owner can be motivated by improvements in comfort, indoor environment and architecture combined with a reasonable economy. The objective of this paper is, based on the motivation survey results, to determine if all homeowners can be assumed as one homogeneous group...

  17. Radial frequency diagram (sunflower) for the analysis of diurnal cycle parameters: Solar energy application

    International Nuclear Information System (INIS)

    Božnar, Marija Zlata; Grašič, Boštjan; Mlakar, Primož; Soares, Jacyra; Pereira de Oliveira, Amauri; Costa, Tássio Santos

    2015-01-01

    Graphical abstract: A new type of graphical presentation showing diurnal cycle of solar energy forecast. The application is possible for other parameters related to weather and green energy production. - Highlights: • The diurnal cycle of solar energy is important for the management of the electrical grid. • A solar plant’s average production depends on the statistical features of solar radiation. • The new tool – the “sunflower”, is proposed for solar energy availability representation. • The sunflower identifies and quantifies information with a clear diurnal cycle. • The sunflower diagram has been developed from the “wind rose” diagram. - Abstract: Many meteorological parameters present a natural diurnal cycle because they are directly or indirectly dependent on sunshine exposure. The solar radiation diurnal pattern is important to energy production, agriculture, prognostic models, health and general climatology. This article aims at introducing a new type of radial frequency diagram – hereafter called sunflower – for the analysis of solar radiation data in connection with energy production and also for climatological studies. The diagram is based on two-dimensional data sorting. Firstly data are sorted into classes representing hours in a day. Then the data in each hourly class is sorted into classes of the observed variable values. The relative frequencies of the value classes are shown as sections on each hour’s segment in a radial diagram. The radial diagram forms a unique pattern for each analysed dataset. Therefore it enables the quick detection of features and the comparison of several such patterns belonging to the different datasets being analysed. The sunflower diagram enables a quick and comprehensive understanding of the information about diurnal cycle of the solar radiation data. It enables in a graphical form, quick screening and long-term statistics of huge data quantities when searching for their diurnal features and

  18. Urban Heat Island Modeling in Conjunction with Satellite-Derived Surface/Soil Parameters.

    Science.gov (United States)

    Hafner, Jan; Kidder, Stanley Q.

    1999-04-01

    Although it has been studied for over 160 years, the urban heat island (UHI) effect is still not completely understood, yet it is increasingly important. The main purpose of this work is to improve UHI modeling by using AVHRR (Advanced Very High Resolution Radiometer) satellite data to retrieve the surface parameters (albedo, as well as soil thermal and moisture properties). In this study, a hydrostatic three-dimensional mesoscale model was used to perform the numerical modeling. The Carlson technique was applied to retrieve the thermal inertia and moisture availability using the thermal AVHRR channels 4 and 5. The net urban effect was determined as the difference between urban and nonurban simulations, in which urban parameters were replaced by rural parameters.Two winter days were each used for two numerical simulations: a control and an urban-to-rural replacement run. Moisture availability values on the less windy day showed generally a south to north gradient downwind of the city and urban values less than rural values (the urban dry island day). Moisture availability was higher on the windy day, with uniform values in the rural and urban areas (uniform soil moisture day). The only exceptions were variations in the rural hills north of the city and the low rural values under the polluted urban plume downwind of the city.While thermal inertia values showed no urban-rural differences on the uniform soil moisture day, they exhibited larger values over Atlanta than in surrounding rural area on the (less moist) dry island day. Two puzzling facts exist in the data: 1) lack of a north-south thermal inertia gradient on the dry soil day to correspond to its above-mentioned moisture availability gradient and 2) rural thermal inertia values do not change between both days in spite of their large difference in soil moisture. The observed lack of corresponding urban change is expected, as its thermal inertia values depend more on urban building materials than on moisture of

  19. 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.

  20. 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.

  1. 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.

  2. Energy behavior on side structure in event of ship collision subjected to external parameters

    Directory of Open Access Journals (Sweden)

    Aditya Rio Prabowo

    2016-11-01

    Full Text Available The safety of ships in regards to collisions and groundings, as well as the navigational and structural aspects of ships, has been improved and developed up to this day by technical, administrative and nautical parties. The damage resulting from collisions could be reduced through several techniques such as designing appropriate hull structures, ensuring tightness of cargo tanks as well as observation and review on structural behaviors, whilst accounting for all involved parameters. The position during a collision can be influenced by the collisions’ location and angle as these parts are included in the external dynamics of ship collisions. In this paper, the results of several collision analyses using the finite element method were used and reviewed regarding the effect of location and angle on energy characteristic. Firstly, the capabilities of the structure and its ability to resist destruction in a collision process were presented and comparisons were made to other collision cases. Three types of collisions were identified based on the relative location of contact points to each other. From the results, it was found that the estimation of internal energy by the damaged ships differed in range from 12%–24%. In the second stage, the results showed that a collision between 30 to 60 degrees produced higher level energy than a collision in the perpendicular position. Furthermore, it was concluded that striking and struck objects in collision contributed to energy and damage shape.

  3. Determination of attenuation parameters and energy absorption build-up factor of amine group materials

    Science.gov (United States)

    Lokhande, Rajkumar M.; More, Chaitali V.; Surung, Bharat S.; Pawar, Pravina P.

    2017-12-01

    We have computed radiological parameters of some C- H- N- O based amine group bio material in the energy range 122-1330 keV with the gamma ray count by narrow beam geometry. The NaI(Tl) detector with 8 K multichannel analyser was used having resolution 6.8% at 663 keV. The energy absorption buildup factor (EABF) was determined by using Geometric Progression (G-P) fitting method up to penetration depth of 40 mfp at energy 0.015-15 MeV. The NIST XCOM data were compared with the experimental value and we observed (3-5%) difference. The comparative study of effective atomic number and effective electron density in the energy range 122-1330 keV using Gaussian fit for accuracy were performed. The amino acid has the highest EABF value at 0.1 MeV and the variation in EABF with penetration depth up to 1-40 mean free path (mfp). The calculated radiological data of biological material are applicable in medical physics and dosimetry.

  4. 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.

  5. Effects of charge design features on parameters of acoustic and seismic waves and cratering, for SMR chemical surface explosions

    Science.gov (United States)

    Gitterman, Y.

    2012-04-01

    A series of experimental on-surface shots was designed and conducted by the Geophysical Institute of Israel at Sayarim Military Range (SMR) in Negev desert, including two large calibration explosions: about 82 tons of strong IMI explosives in August 2009, and about 100 tons of ANFO explosives in January 2011. It was a collaborative effort between Israel, CTBTO, USA and several European countries, with the main goal to provide fully controlled ground truth (GT0) infrasound sources in different weather/wind conditions, for calibration of IMS infrasound stations in Europe, Middle East and Asia. Strong boosters and the upward charge detonation scheme were applied to provide a reduced energy release to the ground and an enlarged energy radiation to the atmosphere, producing enhanced infrasound signals, for better observation at far-regional stations. The following observations and results indicate on the required explosives energy partition for this charge design: 1) crater size and local seismic (duration) magnitudes were found smaller than expected for these large surface explosions; 2) small test shots of the same charge (1 ton) conducted at SMR with different detonation directions showed clearly lower seismic amplitudes/energy and smaller crater size for the upward detonation; 3) many infrasound stations at local and regional distances showed higher than expected peak amplitudes, even after application of a wind-correction procedure. For the large-scale explosions, high-pressure gauges were deployed at 100-600 m to record air-blast properties, evaluate the efficiency of the charge design and energy generation, and provide a reliable estimation of the charge yield. Empirical relations for air-blast parameters - peak pressure, impulse and the Secondary Shock (SS) time delay - depending on distance, were developed and analyzed. The parameters, scaled by the cubic root of estimated TNT equivalent charges, were found consistent for all analyzed explosions, except of SS

  6. Study of parameters for safety assessment of sub-surface disposal. Tunnel-excavating speed and thickness of additional soil in residential land development by filling

    International Nuclear Information System (INIS)

    Ishitoya, Kimihide; Sugaya, Toshikatsu; Funabashi, Hideyuki

    2012-02-01

    Japan Atomic Energy Agency (JAEA) is making preparations for the sub-surface disposal of own low level radioactive wastes. In order to carry out the disposal, it is necessary to confirm the safety of the disposal. Nuclear Safety Commission of Japan (NSC) issued 'Policy of the Safety Assessment of Sub-surface Disposal after the Period for Active Control' (April 1, 2010). Then, we investigated the parameters for dose assessment in tunnel excavation scenario and large-scale land use scenario which were described in the 'Policy of the Safety Assessment', in order to perform the assessment based on actual conditions. To be concrete, we investigated the tunnel excavating speeds in Japan for the former scenario, and investigated technical standards of the filling for the latter scenario. We studied the realistic parameters for the dose assessment with the results of those investigations. (author)

  7. Evaluation of The Effects of Cutting Parameters On The Surface Roughness During The Turning of Hadfield Steel With Response Surface Methodology

    Directory of Open Access Journals (Sweden)

    Ergün EKİCİ

    2014-12-01

    Full Text Available Hadfield steel (X120Mn12 is widely used in the engineering applications due to its excellent wear resistance. In this study, the effects of the cutting parameters on the surface roughness were investigated in relation to the lathe process carried out on Hadfield steel. The experiments were conducted at a cutting speed of 80, 110, 140 m/min, feed rate of 0.2, 0.3, 0.4 mm/rev and depth of cut 0.2, 0.4, 0.6 mm, using coated carbide tools. Regarding the evaluation of the machinability of Hadfield steel, a model was formed utilizing the response surface method (RSM. For the determination of the effects of the cutting parameters on the surface roughness, the central composite design (CCD and variance analysis (ANOVA were used. By means of the model formed as a result of the experimental study, it was demonstrated that among the cutting parameters, the feed rate is the most effective parameter on the surface roughness, with a contribution ratio of 90.28%. It was determined that the surface roughness increases with increasing feed rate. With respect to the effect on the surface roughness, the feed rate was followed by the cutting speed with a contribution ratio of 3.1% and the cutting depth with a contribution ratio of 1.7%.

  8. 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

  9. 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 ...

  10. The effects of processing parameters on the properties of micro-scale porous surface for a micro-channel reactor

    International Nuclear Information System (INIS)

    Feng, Yanbing; Mei, Deqing; Qian, Miao; Yi, Zoudongyi; Chen, Zichen

    2017-01-01

    To improve the performance of hydrogen production via a microchannel reactor with a porous surface, the process of layered powder sintering and dissolution method is optimized, and the effects of processing parameters on the morphological and mechanical properties of the porous surface structure are studied. Based on the preliminary experiments, three key parameters in the process are the size of the NaCl particle, the compaction pressure, and the sintering temperature. Besides, the porous surface structures are evaluated by the specific surface area and compression strength to optimize the influencing variables. Results show that the specific surface area of porous surface structure is determined mainly by the size of NaCl particle, while the pressure and temperature have little influence unexpectedly within the range of experimental condition. With the increase of temperature and pressure, the compression strength will be enhanced, but the increase of the size of NaCl particles will cause the decrease of compression strength. The optimum compaction pressure, sintering temperature, and size of the NaCl particle are obtained respectively. Finally, the optimum parameters have been used to manufacture the micro-channel catalyst support with a porous surface, and its hydrogen production can be maximumly enhanced by 90% compared with the surface fabricated with NaCl particles of 125–150 µ m. (paper)

  11. A distributed parameter electromechanical model for bimorph piezoelectric energy harvesters based on the refined zigzag theory

    Science.gov (United States)

    Chen, Chung-De

    2018-04-01

    In this paper, a distributed parameter electromechanical model for bimorph piezoelectric energy harvesters based on the refined zigzag theory (RZT) is developed. In this model, the zigzag function is incorporated into the axial displacement, and the zigzag distribution of the displacement between the adjacent layers of the bimorph structure can be considered. The governing equations, including three equations of motions and one equation of circuit, are derived using Hamilton’s principle. The natural frequency, its corresponding modal function and the steady state response of the base excitation motion are given in exact forms. The presented results are benchmarked with the finite element method and two beam theories, the first-order shear deformation theory and the classical beam theory. Comparing examples shows that the RZT provides predictions of output voltage and generated power at high accuracy, especially for the case of a soft middle layer. Variation of the parameters, such as the beam thickness, excitation frequencies and the external electrical loads, is investigated and its effects on the performance of the energy harvesters are studied by using the RZT developed in this paper. Based on this refined theory, analysts and engineers can capture more details on the electromechanical behavior of piezoelectric harvesters.

  12. State and parameter estimation of two land surface models using the ensemble Kalman filter and the particle filter

    Directory of Open Access Journals (Sweden)

    H. Zhang

    2017-09-01

    Full Text Available Land surface models (LSMs use a large cohort of parameters and state variables to simulate the water and energy balance at the soil–atmosphere interface. Many of these model parameters cannot be measured directly in the field, and require calibration against measured fluxes of carbon dioxide, sensible and/or latent heat, and/or observations of the thermal and/or moisture state of the soil. Here, we evaluate the usefulness and applicability of four different data assimilation methods for joint parameter and state estimation of the Variable Infiltration Capacity Model (VIC-3L and the Community Land Model (CLM using a 5-month calibration (assimilation period (March–July 2012 of areal-averaged SPADE soil moisture measurements at 5, 20, and 50 cm depths in the Rollesbroich experimental test site in the Eifel mountain range in western Germany. We used the EnKF with state augmentation or dual estimation, respectively, and the residual resampling PF with a simple, statistically deficient, or more sophisticated, MCMC-based parameter resampling method. The performance of the calibrated LSM models was investigated using SPADE water content measurements of a 5-month evaluation period (August–December 2012. As expected, all DA methods enhance the ability of the VIC and CLM models to describe spatiotemporal patterns of moisture storage within the vadose zone of the Rollesbroich site, particularly if the maximum baseflow velocity (VIC or fractions of sand, clay, and organic matter of each layer (CLM are estimated jointly with the model states of each soil layer. The differences between the soil moisture simulations of VIC-3L and CLM are much larger than the discrepancies among the four data assimilation methods. The EnKF with state augmentation or dual estimation yields the best performance of VIC-3L and CLM during the calibration and evaluation period, yet results are in close agreement with the PF using MCMC resampling. Overall, CLM demonstrated the

  13. State and parameter estimation of two land surface models using the ensemble Kalman filter and the particle filter

    Science.gov (United States)

    Zhang, Hongjuan; Hendricks Franssen, Harrie-Jan; Han, Xujun; Vrugt, Jasper A.; Vereecken, Harry

    2017-09-01

    Land surface models (LSMs) use a large cohort of parameters and state variables to simulate the water and energy balance at the soil-atmosphere interface. Many of these model parameters cannot be measured directly in the field, and require calibration against measured fluxes of carbon dioxide, sensible and/or latent heat, and/or observations of the thermal and/or moisture state of the soil. Here, we evaluate the usefulness and applicability of four different data assimilation methods for joint parameter and state estimation of the Variable Infiltration Capacity Model (VIC-3L) and the Community Land Model (CLM) using a 5-month calibration (assimilation) period (March-July 2012) of areal-averaged SPADE soil moisture measurements at 5, 20, and 50 cm depths in the Rollesbroich experimental test site in the Eifel mountain range in western Germany. We used the EnKF with state augmentation or dual estimation, respectively, and the residual resampling PF with a simple, statistically deficient, or more sophisticated, MCMC-based parameter resampling method. The performance of the calibrated LSM models was investigated using SPADE water content measurements of a 5-month evaluation period (August-December 2012). As expected, all DA methods enhance the ability of the VIC and CLM models to describe spatiotemporal patterns of moisture storage within the vadose zone of the Rollesbroich site, particularly if the maximum baseflow velocity (VIC) or fractions of sand, clay, and organic matter of each layer (CLM) are estimated jointly with the model states of each soil layer. The differences between the soil moisture simulations of VIC-3L and CLM are much larger than the discrepancies among the four data assimilation methods. The EnKF with state augmentation or dual estimation yields the best performance of VIC-3L and CLM during the calibration and evaluation period, yet results are in close agreement with the PF using MCMC resampling. Overall, CLM demonstrated the best performance for

  14. Estimation of the solubility parameters of model plant surfaces and agrochemicals: a valuable tool for understanding plant surface interactions

    OpenAIRE

    Khayet, Mohamed; Fernandez Fernandez, Victoria

    2012-01-01

    Background Most aerial plant parts are covered with a hydrophobic lipid-rich cuticle, which is the interface between the plant organs and the surrounding environment. Plant surfaces may have a high degree of hydrophobicity because of the combined effects of surface chemistry and roughness. The physical and chemical complexity of the plant cuticle limits the development of models that explain its internal structure and interactions with surface-applied agrochemicals. In this article we int...

  15. 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.

  16. Quasi-periodic oscillations of aerosol backscatter profiles and surface meteorological parameters during winter nights over a tropical station

    Directory of Open Access Journals (Sweden)

    M. G. Manoj

    2011-03-01

    Full Text Available Atmospheric gravity waves, which are a manifestation of the fluctuations in buoyancy of the air parcels, are well known for their direct influence on concentration of atmospheric trace gases and aerosols, and also on oscillations of meteorological variables such as temperature, wind speed, visibility and so on. The present paper reports quasi-periodic oscillations in the lidar backscatter signal strength due to aerosol fluctuations in the nocturnal boundary layer, studied with a high space-time resolution polarimetric micro pulse lidar and concurrent meteorological parameters over a tropical station in India. The results of the spectral analysis of the data, archived on some typical clear-sky conditions during winter months of 2008 and 2009, exhibit a prominent periodicity of 20–40 min in lidar-observed aerosol variability and show close association with those observed in the near-surface temperature and wind at 5% statistical significance. Moreover, the lidar aerosol backscatter signal strength variations at different altitudes, which have been generated from the height-time series of the one-minute interval profiles at 2.4 m vertical resolution, indicate vertical propagation of these waves, exchanging energy between lower and higher height levels. Such oscillations are favoured by the stable atmospheric background condition and peculiar topography of the experimental site. Accurate representation of these buoyancy waves is essential in predicting the sporadic fluctuations of weather in the tropics.

  17. 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.

  18. Feasibility of constraining the curvature parameter of the symmetry energy using elliptic flow data

    Science.gov (United States)

    Cozma, M. D.

    2018-03-01

    A QMD transport model that employs a modified momentum dependent interaction (MDI2) potential, supplemented by a phase-space coalescence model fitted to FOPI experimental multiplicities of free nucleons and light clusters is used to study the density dependence of the symmetry energy above the saturation point by a comparison with experimental elliptic flow ratios measured by the FOPI-LAND and ASYEOS Collaborations in 197Au + 197Au collisions at 400 MeV/nucleon impact energy. A previous calculation using the same model has proven that neutron-to-proton and neutron-to-charged-particles elliptic flow ratios probe on average different densities allowing in principle the extraction of both the slope L and curvature K_{sym} parameters of the symmetry energy. To make use of this result a Gogny interaction inspired potential is modified by the addition of a density dependent, momentum independent term, while enforcing a close description of the empirical nucleon optical potential, allowing independent modifications of L and Ksym. Comparing theoretical predictions with experimental data for neutron-to-proton and neutron-to-charged-particles elliptic flow ratios the following constraint is extracted: L = 85 ± 22(exp) ± 20(th) ± 12(sys) MeV and K_{sym} = 96 ± 315(exp) ± 170(th) ± 166(sys) MeV. Theoretical errors include effects due to uncertainties in the isoscalar part of the equation of state, value of the isovector neutron-proton effective mass splitting, in-medium effects on the elastic nucleon-nucleon cross-sections, Pauli blocking algorithm variants and scenario considered for the conservation of the total energy of the system. Systematical uncertainties are generated by the inability of the transport model to reproduce experimental light-cluster-to-proton multiplicity ratios. A value for L free of systematical theoretical uncertainties can be extracted from the neutron-to-proton elliptic flow ratio alone: L = 84 ± 30(exp) ± 19(th) MeV. It is demonstrated that

  19. Determination of the cosmological parameters and the nature of dark energy

    International Nuclear Information System (INIS)

    Linden, S.

    2010-04-01

    The measured properties of the dark energy component being consistent with a Cosmological Constant, Λ, this cosmological standard model is referred to as the Λ-Cold-Dark-Matter (ΛCDM) model. Despite its overall success, this model suffers from various problems. The existence of a Cosmological Constant raises fundamental questions. Attempts to describe it as the energy contribution from the vacuum as following from Quantum Field Theory failed quantitatively. In consequence, a large number of alternative models have been developed to describe the dark energy component: modified gravity, additional dimensions, Quintessence models. Also, astrophysical effects have been considered to mimic an accelerated expansion. The basics of the ΛCDM model and the various attempts of explaining dark energy are outlined in this thesis. Another major problem of the model comes from the dependencies of the fit results on a number of a priori assumptions and parameterization effects. Today, combined analyses of the various cosmological probes are performed to extract the parameters of the model. Due to a wrong model assumption or a bad parameterization of the real physics, one might end up measuring with high precision something which is not there. We show, that indeed due to the high precision of modern cosmological measurements, purely kinematic approaches to distance measurements no longer yield valid fit results except for accidental special cases, and that a fit of the exact (integral) redshift-distance relation is necessary. The main results of this work concern the use of the CPL parameterization of dark energy when coping with the dynamics of tracker solutions of Quintessence models, and the risk of introducing biases on the parameters due to the possibly prohibited extrapolation to arbitrary high redshifts of the SN type Ia magnitude calibration relation, which is obtained in the low-redshift regime. Whereas the risks of applying CPL shows up to be small for a wide range of

  20. 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.

  1. 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

  2. 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.

  3. Efficient Emulation of Radiative Transfer Codes Using Gaussian Processes and Application to Land Surface Parameter Inferences

    Directory of Open Access Journals (Sweden)

    José Luis Gómez-Dans

    2016-02-01

    Full Text Available There is an increasing need to consistently combine observations from different sensors to monitor the state of the land surface. In order to achieve this, robust methods based on the inversion of radiative transfer (RT models can be used to interpret the satellite observations. This typically results in an inverse problem, but a major drawback of these methods is the computational complexity. We introduce the concept of Gaussian Process (GP emulators: surrogate functions that accurately approximate RT models using a small set of input (e.g., leaf area index, leaf chlorophyll, etc. and output (e.g., top-of-canopy reflectances or at sensor radiances pairs. The emulators quantify the uncertainty of their approximation, and provide a fast and easy route to estimating the Jacobian of the original model, enabling the use of e.g., efficient gradient descent methods. We demonstrate the emulation of widely used RT models (PROSAIL and SEMIDISCRETE and the coupling of vegetation and atmospheric (6S RT models targetting particular sensor bands. A comparison with the full original model outputs shows that the emulators are a viable option to replace the original model, with negligible bias and discrepancies which are much smaller than the typical uncertainty in the observations. We also extend the theory of GP to cope with models with multivariate outputs (e.g., over the full solar reflective domain, and apply this to the emulation of PROSAIL, coupled 6S and PROSAIL and to the emulation of individual spectral components of 6S. In all cases, emulators successfully predict the full model output as well as accurately predict the gradient of the model calculated by finite differences, and produce speed ups between 10,000 and 50,000 times that of the original model. Finally, we use emulators to invert leaf area index ( L A I , leaf chlorophyll content ( C a b and equivalent leaf water thickness ( C w from a time series of observations from Sentinel-2/MSI

  4. Minimum energy shapes of one-side-pinned static drops on inclined surfaces.

    Science.gov (United States)

    Thampi, Sumesh P; Govindarajan, Rama

    2011-10-01

    The shape that a liquid drop will assume when resting statically on a solid surface inclined to the horizontal is studied here in two dimensions. Earlier experimental and numerical studies yield multiple solutions primarily because of inherent differences in surface characteristics. On a solid surface capable of sustaining any amount of hysteresis, we obtain the global, and hence unique, minimum energy shape as a function of equilibrium contact angle, drop volume, and plate inclination. It is shown, in the energy minimization procedure, how the potential energy of this system is dependent on the basis chosen to measure it from, and two realistic bases, front-pinned and back-pinned, are chosen for consideration. This is at variance with previous numerical investigations where both ends of the contact line are pinned. It is found that the free end always assumes Young's equilibrium angle. Using this, simple equations that describe the angles and the maximum volume are then derived. The range of parameters where static drops are possible is presented. We introduce a detailed force balance for this problem and study the role of the wall in supporting the drop. We show that a portion of the wall reaction can oppose gravity while the other portion aids it. This determines the maximum drop volume that can be supported at a given plate inclination. This maximum volume is the least for a vertical wall, and is higher for all other wall inclinations. This study can be extended to three-dimensional drops in a straightforward manner and, even without this, lends itself to experimental verification of several of its predictions.

  5. 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.

  6. 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.

  7. 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.

  8. Estimation of subsurface hydrological parameters around Akwuke, Enugu, Nigeria using surface resistivity measurements

    International Nuclear Information System (INIS)

    Utom, Ahamefula U; Odoh, Benard I; Egboka, Boniface C E; Egboka, Nkechi E; Okeke, Harold C

    2013-01-01

    As few boreholes may be available and carrying out pumping tests can be expensive and time consuming, relationships between aquifer characteristics and the electrical parameters of different geoelectric layers exist. Data from 19 vertical electrical soundings (VESs; 13 of these selected for evaluation) was recorded with a Schlumberger electrode configuration in the area around Akwuke, Enugu, Nigeria. The data was interpreted by computer iterative modelling with curve matching for calibration purposes. Geoelectric cross-sections along a number of lines were prepared to ascertain the overall distribution of the resistivity responses of the subsurface lithology. Identified probable shallow aquifer resistivity, thickness and depth values are in the range of 28–527 Ωm, 2.1–22.5 m and 3.1–28.3 m respectively. As our aquifer system consists of fine-grained, clay–silty sand materials, a modification of the Archie equations (Waxman–Smits model) was adopted to determine the true formation factor using the relationship between the apparent formation factor and the pore water resistivity. This representation of the effects of a separate conducting path due to the presence of clay particles in the aquifer materials was used in making reliable estimations of aquifer properties. The average hydraulic conductivity of 8.96 × 10 −4 m s −1 transmissivity ranging between 1.88 × 10 −3 and 2.02 × 10 −3 m 2 s −1 estimated from surface resistivity measurements correlated well with the available field data. Results of the study also showed a direct relationship between aquifer transmissivity and modified transverse resistance (R 2 = 0.85). (paper)

  9. 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

  10. The Spatiotemporal Oscillations of Order Parameter for Isothermal Model of the Surface-Directed Spinodal Decomposition in Bounded Binary Mixtures

    Directory of Open Access Journals (Sweden)

    Igor B. Krasnyuk

    2009-01-01

    Full Text Available The asymptotical behavior of order parameter in confined binary mixture is considered in one-dimensional geometry. The interaction between bulk and surface forces in the mixture is investigated. Its established conditions are when the bulk spinodal decomposition may be ignored and when the main role in the process of formation of the oscillating asymptotic periodic spatiotemporal structures plays the surface-directed spinodal decomposition which is modelled by nonlinear dynamical boundary conditions.

  11. Effects of Cutting Parameters on Quality of Surface Produced by Machining of Titanium Alloy and Their Optimization

    Directory of Open Access Journals (Sweden)

    Niharika

    2016-12-01

    Full Text Available Titanium alloy (Ti-6Al-4V has been extensively used in aircraft turbine-engine components, aircraft structural components, aerospace fasteners, high performance automotive parts, marine applications, medical devices and sports equipment. However, wide-spread use of this alloy has limits because of difficulty to machine it. One of the major difficulties found during machining is development of poor quality of surface in the form of higher surface roughness. The present investigation has been concentrated on studying the effects of cutting parameters of cutting speed, feed rate and depth of cut on surface roughness of the product during turning of titanium alloy. Box-Behnken experimental design was used to collect data for surface roughness. ANOVA was used to determine the significance of the cutting parameters. The model equation is also formulated to predict surface roughness. Optimal values of cutting parameters were determined through response surface methodology. A 100% desirability level in the turning process for economy was indicated by the optimized model. Also, the predicted values that were obtained through regression equation were found to be in close agreement to the experimental values.

  12. The Role of Friction Stir Processing (FSP Parameters on TiC Reinforced Surface Al7075-T651 Aluminum Alloy

    Directory of Open Access Journals (Sweden)

    Felipe García-Vázquez

    Full Text Available Abstract: Aluminum alloys are very promising for structural applications in aerosp