WorldWideScience

Sample records for surface energy difference

  1. 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.

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

    International Nuclear Information System (INIS)

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

    2016-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-03-25

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

  4. 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

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

    Science.gov (United States)

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

    2011-10-01

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

  6. Advancements in Modelling of Land Surface Energy Fluxes with Remote Sensing at Different Spatial Scales

    DEFF Research Database (Denmark)

    Guzinski, Radoslaw

    Evaporation of water from soil and its transpiration by vegetation together form a ux between the land and the atmosphere called evapotranspiration (ET). ET is a key factor in many natural and anthropogenic processes. It forms the basis of the hydrological cycle and has a strong inuence on local...... climate, weather and numerous biophysical processes, such as plant productivity. As energy is required for ET to occur, it also forms a link between the land-surface energy uxes and water uxes. Therefore, to be able to obtain reliable estimates of ET, reliable estimates of the other land-surface energy...... of this study was to look at, and improve, various approaches for modelling the land-surface energy uxes at different spatial scales. The work was done using physically-based Two-Source Energy Balance (TSEB) approach as well as semi-empirical \\Triangle" approach. The TSEB-based approach was the main focus...

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

    Science.gov (United States)

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

    2015-07-01

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

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

    Directory of Open Access Journals (Sweden)

    Fatima Maria Namen

    2011-10-01

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

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

    Science.gov (United States)

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

    2012-01-01

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

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

    Science.gov (United States)

    Michalski; Hardy; Saramago

    1998-12-01

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

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

    Science.gov (United States)

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

    2017-04-01

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

  12. Damage of niobium surfaces caused by bombardment with 4He+ ions of different energies typical for T-20

    International Nuclear Information System (INIS)

    Guseva, M.I.; Gusev, V.; Martynenko, Yu.V.; Das, S.K.; Kaminsky, N.

    1979-01-01

    The surface damage of cold worked and annealed polycrystalline Nb irradiated at room temperature with He + ions sequentially at different energies over the range from 0.5 keV to 1.8 MeV has been investigated. The individual energy and the dose of the He + ion was chosen to match the theoretically calculated He + ion spectrum expected in the Tokamak T-20. In one set of irradiations, targets were irradiated at Kurchatov Institute starting with 0.5 keV 4 He + ions and extending up to 90 keV in eleven steps. Subsequently, the same area was irradiated at ANL starting at 150 keV and increased in eight steps up to 1.8 MeV. The irradiations were carried out for a total dose of 5.0 C/cm 2 . In another set of irradiations the sequence was reversed. Scanning electron microscopy results show formation of blisters and exfoliation. For the same dose the broad energy implant (due to sequential irradiation) appears to decrease the blister diameter and density as compared to irradiation with monoenergetic He + ions at a given energy (in the energy range considered). Some estimates of surface erosion yields due to blistering are given

  13. Surface-Induced Dissociation of Polyatomic Hydrocarbon Projectile Ions with Different Initial Internal Energy Content

    Czech Academy of Sciences Publication Activity Database

    Qayyum, A.; Herman, Zdeněk; Tepnual, T.; Mair, C.; Matt-Leubner, S.; Scheier, P.; Märk, T. D.

    2004-01-01

    Roč. 108, č. 1 (2004), s. 1-8 ISSN 1089-5639 R&D Projects: GA ČR GA203/00/0632 Grant - others:XE(CZ) EURATOM-IPP.CR Institutional research plan: CEZ:AV0Z4040901 Keywords : surface induced * polyatomic ions Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.639, year: 2004

  14. [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).

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

    Science.gov (United States)

    Liu, Chang; Chen, Lin; Zhu, Liang

    2017-08-01

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

  16. Using machine learning and surface reconstruction to accurately differentiate different trajectories of mood and energy dysregulation in youth.

    Directory of Open Access Journals (Sweden)

    Amelia Versace

    Full Text Available Difficulty regulating positive mood and energy is a feature that cuts across different pediatric psychiatric disorders. Yet, little is known regarding the neural mechanisms underlying different developmental trajectories of positive mood and energy regulation in youth. Recent studies indicate that machine learning techniques can help elucidate the role of neuroimaging measures in classifying individual subjects by specific symptom trajectory. Cortical thickness measures were extracted in sixty-eight anatomical regions covering the entire brain in 115 participants from the Longitudinal Assessment of Manic Symptoms (LAMS study and 31 healthy comparison youth (12.5 y/o;-Male/Female = 15/16;-IQ = 104;-Right/Left handedness = 24/5. Using a combination of trajectories analyses, surface reconstruction, and machine learning techniques, the present study aims to identify the extent to which measures of cortical thickness can accurately distinguish youth with higher (n = 18 from those with lower (n = 34 trajectories of manic-like behaviors in a large sample of LAMS youth (n = 115; 13.6 y/o; M/F = 68/47, IQ = 100.1, R/L = 108/7. Machine learning analyses revealed that widespread cortical thickening in portions of the left dorsolateral prefrontal cortex, right inferior and middle temporal gyrus, bilateral precuneus, and bilateral paracentral gyri and cortical thinning in portions of the right dorsolateral prefrontal cortex, left ventrolateral prefrontal cortex, and right parahippocampal gyrus accurately differentiate (Area Under Curve = 0.89;p = 0.03 youth with different (higher vs lower trajectories of positive mood and energy dysregulation over a period up to 5years, as measured by the Parent General Behavior Inventory-10 Item Mania Scale. Our findings suggest that specific patterns of cortical thickness may reflect transdiagnostic neural mechanisms associated with different temporal trajectories of positive mood and energy dysregulation in youth. This

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-08-15

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

  18. Uncertainties in surface mass and energy flux estimates due to different eddy covariance sensors and technical set-up

    Science.gov (United States)

    Arriga, Nicola; Fratini, Gerardo; Forgione, Antonio; Tomassucci, Michele; Papale, Dario

    2010-05-01

    Eddy covariance is a well established and widely used methodology for the measurement of turbulent fluxes of mass and energy in the atmospheric boundary layer, in particular to estimate CO2/H2O and heat exchange above ecologically relevant surfaces (Aubinet 2000, Baldocchi 2003). Despite its long term application and theoretical studies, many issues are still open about the effect of different experimental set-up on final flux estimates. Open issues are the evaluation of the performances of different kind of sensors (e.g. open path vs closed path infra-red gas analysers, vertical vs horizontal mounting ultrasonic anemometers), the quantification of the impact of corresponding physical corrections to be applied to get robust flux estimates taking in account all processes concurring to the measurement (e.g. the so-called WPL term, signal attenuation due to air sampling system for closed path analyser, relative position of analyser and anemometer) and the differences between several data transmission protocols used (analogue, digital RS-232, SDM). A field experiment was designed to study these issues using several instruments among those most used within the Fluxnet community and to compare their performances under conditions supposed to be critical: rainy and cold weather conditions for open-path analysers (Burba 2008), water transport and absorption at high air relative humidity conditions for closed-path systems (Ibrom, 2007), frequency sampling limits and recorded data robustness due to different transmission protocols (RS232, SDM, USB, Ethernet) and finally the effect of the displacement between anemometer and analyser using at least two identical analysers placed at different horizontal and vertical distances from the anemometer. Aim of this experiment is to quantify the effect of several technical solutions on the final estimates of fluxes measured at a point in the space and if they represent a significant source of uncertainty for mass and energy cycle

  19. Energy harvesting through gas dynamics in the free molecular flow regime between structured surfaces at different temperatures

    DEFF Research Database (Denmark)

    Baier, Tobias; Dölger, Julia; Hardt, Steffen

    2014-01-01

    For a gas confined between surfaces held at different temperatures the velocity distribution shows a significant deviation from the Maxwell distribution when the mean free path of the molecules is comparable to or larger than the channel dimensions. If one of the surfaces is suitably structured, ...

  20. 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.

  1. 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...

  2. 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...

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

    Directory of Open Access Journals (Sweden)

    Ugur Erdemir

    2013-04-01

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

  4. A study using different types of fumed silica to modify the flowablity, wettability and surface free energy of a model cohesive powder

    OpenAIRE

    Fitriani, Lili

    2017-01-01

    The objectives of this study were to investigate the improvement on flowability of a model cohesive powder using two different types of fumed silica mixed by the dry coating method “mechanofusion” and to explore the relationship between flowability and surface free energy and/or wettability. The first aim was to find the optimum conditions for improving the flowability of a model cohesive powder, glass microspheres (DMV ~ 3.5 µm), by mechanofusion with fumed silica. Conventional blending usin...

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

    Science.gov (United States)

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

    2013-01-01

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

  6. Damage of niobium surfaces caused by bombardment with /sup 4/He/sup +/ ions of different energies typical for T-20

    Energy Technology Data Exchange (ETDEWEB)

    Guseva, M.I.; Gusev, V.; Martynenko, Yu.V.; Das, S.K.; Kaminsky, N.

    1979-01-01

    The surface damage of cold worked and annealed polycrystalline Nb irradiated at room temperature with He/sup +/ ions sequentially at different energies over the range from 0.5 keV to 1.8 MeV has been investigated. The individual energy and the dose of the He/sup +/ ion was chosen to match the theoretically calculated He/sup +/ ion spectrum expected in the Tokamak T-20. In one set of irradiations, targets were irradiated at Kurchatov Institute starting with 0.5 keV /sup 4/He/sup +/ ions and extending up to 90 keV in eleven steps. Subsequently, the same area was irradiated at ANL starting at 150 keV and increased in eight steps up to 1.8 MeV. The irradiations were carried out for a total dose of 5.0 C/cm/sup 2/. In another set of irradiations the sequence was reversed. Scanning electron microscopy results show formation of blisters and exfoliation. For the same dose the broad energy implant (due to sequential irradiation) appears to decrease the blister diameter and density as compared to irradiation with monoenergetic He/sup +/ ions at a given energy (in the energy range considered). Some estimates of surface erosion yields due to blistering are given.

  7. Solar energy converter using surface plasma waves

    Science.gov (United States)

    Anderson, L. M. (Inventor)

    1984-01-01

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

  8. Surface energy of metal alloy nanoparticles

    Science.gov (United States)

    Takrori, Fahed M.; Ayyad, Ahmed

    2017-04-01

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

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

    Science.gov (United States)

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

    2013-01-01

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

  10. Comparison of surface energy budgets and feedbacks to microclimate among different land use types in an agro-pastoral ecotone of northern China.

    Science.gov (United States)

    Zhao, Wei; Hu, Zhongmin; Li, Shenggong; Guo, Qun; Liu, Zhengjia; Zhang, Leiming

    2017-12-01

    The biophysical effect of land use conversion plays a significant role in regulating climate change. Owing to albedo and evapotranspiration (ET) change, the effect of energy budget difference on land surface temperature (LST) is important but unclear among contrasting land use types, especially in temperate semi-arid regions. Based on moderate-resolution imaging spectroradiometer (MODIS) data, we compared the differences in albedo, ET, and LST between cropland and grassland (CR-GR), and between planted forest and grassland (PF-GR) in the Horqin Sandy Land of Inner Mongolia, an agro-pastoral ecotone of northern China. Our main objective was to explore the magnitude and direction of albedo and ET change during the growing season and, subsequently, to estimate the biophysical effects on LST as a result of land use and land cover change. Our results indicate no significant difference in mean monthly albedo for CR-GR and PF-GR. Cropland lost more water through ET and significantly decreased daytime LST compared with grassland from July to September, but no significant differences in ET and LST were observed for PF-GR in any month. The biophysical climate effects were more pronounced for CR-GR compared with PF-GR. The response of LST to the changes in energy budget confirmed that ET was the critical driving factor relative to albedo. Compared with grassland, cropland and planted forest tended to cool the land surface by 5.15°C and 1.51°C during the growing season, respectively, because of the biophysical effects. Our findings suggest the significance of local-scale biophysical effect on climate variation after land use conversion in semi-arid regions. Copyright © 2017 Elsevier B.V. All rights reserved.

  11. 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].

  12. State-to-state reactive differential cross sections for the H +H2→H2+H reaction on five different potential energy surfaces employing a new quantum wavepacket computer code: DIFFREALWAVE

    Science.gov (United States)

    Hankel, Marlies; Smith, Sean C.; Allan, Robert J.; Gray, Stephen K.; Balint-Kurti, Gabriel G.

    2006-10-01

    State-to-state differential cross sections have been calculated for the hydrogen exchange reaction, H +H2→H2+H, using five different high quality potential energy surfaces with the objective of examining the sensitivity of these detailed cross sections to the underlying potential energy surfaces. The calculations were performed using a new parallel computer code, DIFFREALWAVE. The code is based on the real wavepacket approach of Gray and Balint-Kurti [J. Chem. Phys. 108, 950 (1998)]. The calculations are parallelized over the helicity quantum number Ω' (i.e., the quantum number for the body-fixed z component of the total angular momentum) and wavepackets for each J,Ω' set are assigned to different processors, similar in spirit to the Coriolis-coupled processors approach of Goldfield and Gray [Comput. Phys. Commun. 84, 1 (1996)]. Calculations for J =0-24 have been performed to obtain converged state-to-state differential cross sections in the energy range from 0.4to1.2eV. The calculations employ five different potential energy surfaces, the BKMP2 surface and a hierarchical family of four new ab initio surfaces [S. L. Mielke, et al., J. Chem. Phys. 116, 4142 (2002)]. This family of four surfaces has been calculated using three different hierarchical sets of basis functions and also an extrapolation to the complete basis set limit, the so called CCI surface. The CCI surface is the most accurate surface for the H3 system reported to date. Our calculations of differential cross sections are the first to be reported for the A2, A3, A4, and CCI surfaces. They show that there are some small differences in the cross sections obtained from the five different surfaces, particularly at higher energies. The calculations also show that the BKMP2 performs well and gives cross sections in very good agreement with the results from the CCI surface, displaying only small divergences at higher energies.

  13. 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.

  14. 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.

  15. Statistical studies on the light output and energy resolution of small LSO single crystals with different surface treatments combined with various reflector materials

    CERN Document Server

    Heinrichs, U; Bussmann, N; Engels, R; Kemmerling, G; Weber, S; Ziemons, K

    2002-01-01

    The optimization of light output and energy resolution of scintillators is of special interest for the development of high resolution and high sensitivity PET. The aim of this work is to obtain statistically reliable results concerning optimal surface treatment of scintillation crystals and the selection of reflector material. For this purpose, raw, mechanically polished and etched LSO crystals (size 2x2x10 mm sup 3) were combined with various reflector materials (Teflon tape, Teflon matrix, BaSO sub 4) and exposed to a sup 2 sup 2 Na source. In order to ensure the statistical reliability of the results, groups of 10 LSO crystals each were measured for all combinations of surface treatment and reflector material. Using no reflector material the light output increased up to 551+-35% by mechanical polishing the surface compared to 100+-5% for raw crystals. Etching the surface increased the light output to 441+-29%. The untreated crystals had an energy resolution of 24.6+-4.0%. By mechanical polishing the surfac...

  16. 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 ...

  17. 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 ...

  18. 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

  19. 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).

  20. 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

  1. 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.

  2. 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.

  3. 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.

  4. 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

  5. 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.

  6. 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

  7. 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

  8. 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

  9. 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.

  10. 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 ...

  11. 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.

  12. 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.

  13. Analysis of surface with low energy ions

    International Nuclear Information System (INIS)

    Oliver, A.; Miranda, J.

    1989-01-01

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

  14. 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

  15. 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.)

  16. 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

  17. 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.

  18. Polyspecies biofilm formation on implant surfaces with different surface characteristics

    Directory of Open Access Journals (Sweden)

    Patrick R. SCHMIDLIN

    2013-01-01

    Full Text Available Objective To investigate the microbial adherence and colonization of a polyspecies biofilm on 7 differently processed titanium surfaces. Material and Methods Six-species biofilms were formed anaerobically on 5-mm-diameter sterilized, saliva-preconditioned titanium discs. Material surfaces used were either machined, stained, acid-etched or sandblasted/acid-etched (SLA. Samples of the latter two materials were also provided in a chemically modified form, with increased wettability characteristics. Surface roughness and contact angles of all materials were determined. The discs were then incubated anaerobically for up to 16.5 h. Initial microbial adherence was evaluated after 20 min incubation and further colonization after 2, 4, 8, and 16.5 h using non-selective and selective culture techniques. Results at different time points were compared using ANOVA and Scheffé post hoc analysis. Results The mean differences in microorganisms colonizing after the first 20 min were in a very narrow range (4.5 to 4.8 log CFU. At up to 16.5 h, the modified SLA surface exhibited the highest values for colonization (6.9±0.2 log CFU, p<0.05 but increasing growth was observed on all test surfaces over time. Discrepancies among bacterial strains on the differently crafted titanium surfaces were very similar to those described for total log CFU. F. nucleatum was below the detection limit on all surfaces after 4 h. Conclusion Within the limitations of this in vitro study, surface roughness had a moderate influence on biofilm formation, while wettability did not seem to influence biofilm formation under the experimental conditions described. The modified SLA surface showed the highest trend for bacterial colonization.

  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. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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

  6. 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

  7. 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)

  8. 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.

  9. 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

  10. 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.

  11. 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.

  12. Health impacts of different energy sources

    International Nuclear Information System (INIS)

    1982-01-01

    Energy is needed to sustain the economy, health and welfare of nations. As a consequence of this, energy consumption figures are frequently used as an index of a nation's advancement. As a result of the global energy crisis, almost every nation has had to develop all its available energy resources and plan its future use of energy. The planners of national and international energy policies are however often faced with a problem of 'public acceptance' arising from the potential health and environmental impacts of developing energy resources. The public's desire to preserve the quality of man's health and his environment frequently results in opposition to many industrial innovations, including the generation and use of energy. Reliable, quantitative data and information are needed on the risks to health and the environment of different contemporary energy systems, to improve public understanding, and to serve as the basis from which national planners can choose between different energy supply options. With the exception of nuclear energy, even in technologically advanced countries little systematic research and development has been done on the quantitative assessment of the effects on health and the environment of the conventional energy sources. The need for this information has only been realized over the past decade as the climate and environment in many regions of the world has deteriorated with the unabated release of pollutants from factories and energy generating plants in particular. A number of countries have started national environmental health research programmes to monitor and regulate toxic emissions from industry and energy plants. Energy-related environmental health research has been supported and co-ordinated by various international organizations such as the International Atomic Energy Agency (IAEA), World Health Organization (WHO) and United Nations Environment Programme (UNEP). WHO has supported expert reviews on the potential health risks posed

  13. Interdependence of different symmetry energy elements

    Science.gov (United States)

    Mondal, C.; Agrawal, B. K.; De, J. N.; Samaddar, S. K.; Centelles, M.; Viñas, X.

    2017-08-01

    Relations between the nuclear symmetry energy coefficient and its density derivatives are derived. The relations hold for a class of interactions with quadratic momentum dependence and a power-law density dependence. The structural connection between the different symmetry energy elements as obtained seems to be followed by almost all reasonable nuclear energy density functionals, both relativistic and nonrelativistic, suggesting a universality in the correlation structure. This, coupled with known values of some well-accepted constants related to nuclear matter, helps in constraining values of different density derivatives of the nuclear symmetry energy, shedding light on the isovector part of the nuclear interaction.

  14. 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

  15. 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

  16. 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.

  17. 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

  18. 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.

  19. 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.

  20. Wettability transition of laser textured brass surfaces inside different mediums

    Science.gov (United States)

    Yan, Huangping; Abdul Rashid, Mohamed Raiz B.; Khew, Si Ying; Li, Fengping; Hong, Minghui

    2018-01-01

    Hydrophobic surface on brass has attracted intensive attention owing to its importance in scientific research and practical applications. Laser texturing provides a simple and promising method to achieve it. Reducing wettability transition time from hydrophilicity to hydrophobicity or superhydrophobicity remains a challenge. Herein, wettability transition of brass surfaces with hybrid micro/nano-structures fabricated by laser texturing was investigated by immersing the samples inside different mediums. Scanning electron microscopy, energy-dispersive X-ray analysis, X-ray photoelectron spectroscopy and surface contact angle measurement were employed to characterize surface morphology, chemical composition and wettability of the fabricated surfaces of brass samples. Wettability transition time from hydrophilicity to hydrophobicity was shortened by immersion into isopropyl alcohol for a period of 3 h as a result of the absorption and accumulation of organic substances on the textured brass surface. When the textured brass sample was immersed into sodium bicarbonate solution, flower-like structures on the sample surface played a key role in slowing down wettability transition. Moreover, it had the smallest steady state contact angle as compared to the others. This study provides a facile method to construct textured surfaces with tunable wetting behaviors and effectively extend the industrial applications of brass.

  1. 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.

  2. 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.

  3. 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.

  4. 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

  5. Properties of water surface discharge at different pulse repetition rates

    International Nuclear Information System (INIS)

    Ruma,; Yoshihara, K.; Hosseini, S. H. R.; Sakugawa, T.; Akiyama, H.; Akiyama, M.; Lukeš, P.

    2014-01-01

    The properties of water surface discharge plasma for variety of pulse repetition rates are investigated. A magnetic pulse compression (MPC) pulsed power modulator able to deliver pulse repetition rates up to 1000 Hz, with 0.5 J per pulse energy output at 25 kV, was used as the pulsed power source. Positive pulse with a point-to-plane electrode configuration was used for the experiments. The concentration and production yield of hydrogen peroxide (H 2 O 2 ) were quantitatively measured and orange II organic dye was treated, to evaluate the chemical properties of the discharge reactor. Experimental results show that the physical and chemical properties of water surface discharge are not influenced by pulse repetition rate, very different from those observed for under water discharge. The production yield of H 2 O 2 and degradation rate per pulse of the dye did not significantly vary at different pulse repetition rates under a constant discharge mode on water surface. In addition, the solution temperature, pH, and conductivity for both water surface and underwater discharge reactors were measured to compare their plasma properties for different pulse repetition rates. The results confirm that surface discharge can be employed at high pulse repetition rates as a reliable and advantageous method for industrial and environmental decontamination applications.

  6. 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

  7. 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)

  8. 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

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

    Science.gov (United States)

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

    2012-10-01

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

  10. 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. 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. 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

  13. Temperature comparison of different reflective surfaces of a solar thermal collector

    Science.gov (United States)

    Koh, Yit Yan; Chua, Yaw Long; Chin, Kiat Keong

    2017-09-01

    With the rapid depletion of fossil fuels, the search for application of alternative energy sources becomes more important than ever before. Solar energy has been identified as one of the major renewable energy that will contribute to power generation is years to come. There are two major categories of solar energy applications. Solar thermal collector is one of it. This paper presents an investigation on the effect of different reflecting surfaces on solar thermal collector. Three different reflective surfaces were applied on the surface of the solar thermal collector. Data was collected and analyzed. From the results, the aluminum mirror sheet performed best.

  14. 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.

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

    Science.gov (United States)

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

    2018-01-01

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

  16. 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.

  17. 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.

  18. 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.

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

    Science.gov (United States)

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

    2013-08-15

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

  20. Characterization of neutrophil adhesion to different titanium surfaces

    Indian Academy of Sciences (India)

    Topographic roughness was demonstrated as higher for SLA treated surfaces, measured by atomic force microscopy and elemental analysis was performed by energy dispersive X-ray, showing a similar composition for both surfaces. The adhesion of neutrophils to the `rough' Ti surface was initially stronger than adhesion ...

  1. 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.

  2. 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...

  3. 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.

  4. Theoretical studies of potential energy surfaces and computational methods

    Energy Technology Data Exchange (ETDEWEB)

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

    1993-12-01

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

  5. Surface energy absorbing layers produced by ion implantation

    International Nuclear Information System (INIS)

    Gurarie, V.N.

    1997-01-01

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

  6. 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.

  7. 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.

  8. 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.

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

    Science.gov (United States)

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

    2017-09-01

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

  10. 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.

  11. 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

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

    Science.gov (United States)

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

    2016-11-01

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

  13. 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.

  14. Energy Consumption Analysis of Particle Crushing on Structural Contact Surface under High Pressure Shear

    Science.gov (United States)

    Tan, Junkun; Guo, Jiaqi

    2017-12-01

    The experimental study on the energy relationship between the coarse sand with different water content and the concrete interface with different hardness and roughness is carried out, through the high stress direct shear apparatus. Experimental results show that the growth rate of shear energy dissipation of sand - structure contact surface is slowing down with the increase of roughness, even negative; The shear energy dissipation of concrete with different hardness decreases first and then increases with the increase of water content, The crushing energy consumption is the lowest when water content is 16%; The shear energy dissipation at different moisture content increases with the increase of the contact strength of concrete structure.

  15. 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.

  16. 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

  17. 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

  18. 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...

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

    OpenAIRE

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

    2014-01-01

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

  20. Surface chemistry of methanol on different ZnO surfaces studied by vibrational spectroscopy.

    Science.gov (United States)

    Jin, Lanying; Wang, Yuemin

    2017-05-24

    The adsorption and reactions of CH 3 OH on nonpolar mixed-terminated ZnO(101[combining macron]0), polar O-ZnO(0001[combining macron]) and Zn-ZnO(0001) surfaces have been studied systematically using high-resolution electron energy loss spectroscopy (HREELS) in conjunction with temperature programmed desorption (TPD). For all three ZnO surfaces, exposure to methanol at room temperature leads to (partially) dissociative adsorption resulting in the formation of hydroxyl and methoxy species. Upon heating to higher temperatures, the dissociated and intact methanol species on ZnO(101[combining macron]0) predominantly undergo molecular desorption releasing CH 3 OH at 370 and 440 K. The Zn-O dimer vacancies are responsible for the decomposition of a small fraction of methanol yielding H 2 , CH 2 O and CO at 540 and 565 K. The interaction of methanol with polar O-ZnO and Zn-ZnO surfaces is dominated by thermal decomposition of CH 3 OH to produce CH 2 O, H 2 , CO, CO 2 and H 2 O at elevated temperatures. The high chemical reactivity of both polar surfaces is related to the high abundance of different types of surface defects formed via massive restructuring. Importantly, the reconstructed Zn-ZnO surface exhibits high selectivity for hydrogen production at 520 K, which was not observed for the polar O-ZnO surface. The HREELS data revealed that this low-temperature hydrogen evolution on Zn-ZnO results from methoxy oxidation to a formate species occurring at O-terminated step-edge sites.

  1. Correlation of Effective Dispersive and Polar Surface Energies in Heterogeneous Self-Assembled Monolayer Coatings

    DEFF Research Database (Denmark)

    Zhuang, Yanxin; Hansen, Ole

    2009-01-01

    grown oil oxidized (100) silicon Surfaces in a vapor phase process using five different precursors. Experimentally, effective surface energy components of the fluorocarbon self-assembled monolayers were determined from measured contact angles using the Owens-Wendt-Rabel-Kaelble method. We show......We show, theoretically, that the measured effective dispersive and polar surface energies of a heterogeneous Surface are correlated; the correlation, however, differs whether a Cassic or an Israelachvili and Gee model is assumed. Fluorocarbon self-assembled monolayers with varying coverage were...

  2. 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.

  3. 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.

  4. Interaction of the human body and surfaces of different stiffness during drop jumps.

    Science.gov (United States)

    Arampatzis, Adamantios; Stafilidis, Savvas; Morey-Klapsing, Gaspar; Brüggemann, Gert-peter

    2004-03-01

    The purpose of this study was to examine two hypotheses: (a) the stiffness of the surface influences the leg stiffness of the subjects during drop jumps, and (b) drop jumping performance (jumping height and energy rates of the subject's center of mass during the contact phase) increases when decreasing surface stiffness due to a greater energy storage capacity of the surface for a given acting force. Ten female subjects performed a series of drop jumps from 40-cm height onto two sprung surfaces with different stiffness. Those trials of each subject displaying the maximal mechanical power during the upward phase were analyzed. The ground reaction forces were measured using a force plate. Sagittal kinematics of the subject's body positions and the deformation of the surface were recorded using two high-speed video cameras. On the soft surface, the jumping height and the energy rates of the subjects during the contact phase were greater than on the hard one. The energy delivered by the subjects during the upward phase, the leg and joint stiffness, as well as the range of motion of the subjects remained unchanged for both surfaces. The absolute energy loss is lower for the hard surface, but the jumping performance is greater for the soft one. The reason is a higher ratio of positive to negative mechanical work done by the subjects during the contact phase. The adjustment of the subjects to different surfaces is not only dependent on the stiffness of the surface but also on the intensity of the movement.

  5. 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.

  6. 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.

  7. Surface Energy Determined by Inverse Gas Chromatography as a Tool to Investigate Particulate Interactions in Dry Powder Inhalers.

    Science.gov (United States)

    Das, Shyamal C; Tucker, Ian G; Stewart, Peter J

    2015-01-01

    Dry powder inhalers (DPIs) usually contain drug particles powder particles used in DPI to characterize materials and to understand aerosolization behaviour. Early studies used an infinite dilution technique to determine nonpolar surface energy and free energy of adsorption for polar interactions separately. Although some correlations were observed with the change in nonpolar surface energy before and after micronization, milling and storage, a lack of consistency in the change of free energy of adsorption was common. Moreover, a consistent relationship between complex de-agglomeration behaviour and surface energy has not been established and there are even some examples of negative correlation. In fact, nonpolar surface energy at infinite dilution is an incomplete representation of powder surface characteristics. The techniques for measuring polar surface energy, total surface energy and surface energy distribution have provided more revealing information about surface energetics of powders. Surface energy distributions determined by IGC or surface energy analyser have been successfully used to understand energetic heterogeneity of surfaces, characterize different polymorphs and understand changes due to micronization, structural relaxation, dry coating and storage. Efforts have been made to utilize surface energy distribution data to calculate powder strength distribution and to explain complex de-agglomeration behaviour of DPI formulations.

  8. 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.

  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. 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.

  11. 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.

  12. 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)

  13. Observations of discrete energy loss effects in spectra of positrons reflected from solid surfaces

    International Nuclear Information System (INIS)

    Dale, J.M.; Hulett, L.D.; Pendyala, S.

    1980-01-01

    Surfaces of tungsten and silicon have been bombarded with monoenergetic beams of positrons and electrons. Spectra of reflected particles show energy loss tails with discrete peaks at kinetic energies about 15 eV lower than that of the elastic peaks. In the higher energy loss range for tungsten, positron spectra show fine structure that is not apparent in the electron spectra. This suggests that the positrons are losing energy through mechanisms different from that of the electrons

  14. 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.

  15. 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...

  16. Atomic force microscopy analysis of different surface treatments of Ti dental implant surfaces

    International Nuclear Information System (INIS)

    Bathomarco, R.V.; Solorzano, G.; Elias, C.N.; Prioli, R.

    2004-01-01

    The surface of commercial unalloyed titanium, used in dental implants, was analyzed by atomic force microscopy. The morphology, roughness, and surface area of the samples, submitted to mechanically-induced erosion, chemical etching and a combination of both, were compared. The results show that surface treatments strongly influence the dental implant physical and chemical properties. An analysis of the length dependence of the implant surface roughness shows that, for scan sizes larger than 50 μm, the average surface roughness is independent of the scanning length and that the surface treatments lead to average surface roughness in the range of 0.37 up to 0.48 μm. It is shown that the implant surface energy is sensitive to the titanium surface area. As the area increases there is a decrease in the surface contact angle

  17. Atomic force microscopy analysis of different surface treatments of Ti dental implant surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Bathomarco, R.V.; Solorzano, G.; Elias, C.N.; Prioli, R

    2004-06-30

    The surface of commercial unalloyed titanium, used in dental implants, was analyzed by atomic force microscopy. The morphology, roughness, and surface area of the samples, submitted to mechanically-induced erosion, chemical etching and a combination of both, were compared. The results show that surface treatments strongly influence the dental implant physical and chemical properties. An analysis of the length dependence of the implant surface roughness shows that, for scan sizes larger than 50 {mu}m, the average surface roughness is independent of the scanning length and that the surface treatments lead to average surface roughness in the range of 0.37 up to 0.48 {mu}m. It is shown that the implant surface energy is sensitive to the titanium surface area. As the area increases there is a decrease in the surface contact angle.

  18. 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.

  19. 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.

  20. 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.

  1. 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

  2. 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.

  3. 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.

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

    NARCIS (Netherlands)

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

    1991-01-01

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

  5. Colloquium on the risks of different energy sources

    International Nuclear Information System (INIS)

    1980-01-01

    Four subjects, each taking up one session, were dealt with in this Colloquium. The first is the definition of the health risk concept which is only obvious on the surface. It was shown how within the medical world itself, apparently the most competent to discover and evaluate these risks, this definition is still approximate both in theory and in practice. The second theme dealt with concerns the way in which risks are viewed by the general public. By a psychological and sociological approach it is possible to form an idea of how differently opinion reacts to risks of similar gravity and probability. The apprehension of risks and the opposition to nuclear energy were analysed in detail in this session. The third subject, more analytical and probably one of the most topical is concerned with the inventory of risks due to each industrial energy sector. This session was in two parts, the first devoted to problems specific to each source of energy including nuclear, the second to common problems (pollution of air, fresh water and sea water, and long-term effects (nuclear wastes for example). The fourth and last session dealt with a fundamental problem, methods of studying these risks. The conclusions of different enquiries are always very similar: the energy source hierarchy, in order of diminishing risks, is as follows: coal, liquid hydrocarbons, nuclear and gaseous hydrocarbons [fr

  6. 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].

  7. 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].

  8. 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.

  9. 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

  10. 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.

  11. 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.

  12. 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.

  13. 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...

  14. 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.

  15. 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.

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

    Science.gov (United States)

    Gopalakrishnan, Pratheek

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

  17. 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

  18. 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

  19. 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

  20. 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)

  1. 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...

  2. 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.

  3. 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.

  4. 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....

  5. 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.

  6. 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.

  7. 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.

  8. Different methods for waste to energy transformation

    NARCIS (Netherlands)

    Koning, J. de

    1998-01-01

    In the past 25 years, many technological developments have taken place in the thermal treatment of Municipal Solid Waste (MSW). Apart from the initials goal of the technology (i.e., volume reduction and inertisation), flue gas emissions, solid residues, energy efficiency and economics became

  9. Fine powder flow under humid environmental conditions from the perspective of surface energy.

    Science.gov (United States)

    Karde, Vikram; Ghoroi, Chinmay

    2015-05-15

    The influence of humidity on surface energetics and flow behavior of fine pharmaceutical powders was investigated. Amorphous and crystalline fine powders with hydrophilic (Corn starch and Avicel PH105) and hydrophobic (ibuprofen) nature were considered for this study. The surface energy was determined using surface energy analyzer and flow behavior was measured in terms of unconfined yield stress (UYS) using a shear tester. The study showed that unlike hydrophobic ibuprofen powder, surface energy and flow of hydrophilic excipient powders were affected by relative humidity (RH). The Lifshitz-van der Waals dispersive (γ(LW)) component of surface energy barely changed with varying RH for all pharmaceutical powders. For hydrophilic excipients, the specific component of surface energy (γ(SP)) was found to increase with increasing RH. Furthermore, for these excipients, flow deterioration at elevated RH was observed due to increased capillary bridge formation. Detailed analysis showed that γ(SP) component of surface energy can be an effective indicator for flow behavior of fine powders under varying humid conditions. The present study also brought out the existence of different regimes of probable interparticle forces which dictate the bulk flow behavior of fine hydrophilic powder under humid conditions. Copyright © 2015 Elsevier B.V. All rights reserved.

  10. Effect of cocoa fat content on wetting and surface energy of chocolate

    Directory of Open Access Journals (Sweden)

    Lubomír Lapčík

    2017-01-01

    Full Text Available The aim of this study was the quantification of the effect of the cocoa fat content on the wetting characteristics and surface free energy of different chocolate compositions. On the market, there are many different types of chocolate products which differ both in the sensory and physico-chemical properties together with their raw material compositions and the contents of the individual components. This paper focuses on differences in the use of different types of fats - cocoa butter, milk fat, equivalents or cocoa butter substitutes in chocolate products. Studied samples (prepared at Carla, Ltd. Company were followed by static contact angles of wetting measurements and by calculated surface free energies. There were investigated the effects of fat content and used fat types of the chocolate products on their final wettabilities and resulting surface free energies. There was found a linear dependence between total fat content and the surface free energy, which was gradually increasing with increasing fat content. Additionally, there were performed TG DTG and NIR spectrometry measurements of the tested materials with the aim to determine the melting point of studied fats used, as well as to determine and identify individual fat components of chocolate products which may affect the resulting value of surface free energy.

  11. Effect of mechanical denaturation on surface free energy of protein powders.

    Science.gov (United States)

    Mohammad, Mohammad Amin; Grimsey, Ian M; Forbes, Robert T; Blagbrough, Ian S; Conway, Barbara R

    2016-10-01

    Globular proteins are important both as therapeutic agents and excipients. However, their fragile native conformations can be denatured during pharmaceutical processing, which leads to modification of the surface energy of their powders and hence their performance. Lyophilized powders of hen egg-white lysozyme and β-galactosidase from Aspergillus oryzae were used as models to study the effects of mechanical denaturation on the surface energies of basic and acidic protein powders, respectively. Their mechanical denaturation upon milling was confirmed by the absence of their thermal unfolding transition phases and by the changes in their secondary and tertiary structures. Inverse gas chromatography detected differences between both unprocessed protein powders and the changes induced by their mechanical denaturation. The surfaces of the acidic and basic protein powders were relatively basic, however the surface acidity of β-galactosidase was higher than that of lysozyme. Also, the surface of β-galactosidase powder had a higher dispersive energy compared to lysozyme. The mechanical denaturation decreased the dispersive energy and the basicity of the surfaces of both protein powders. The amino acid composition and molecular conformation of the proteins explained the surface energy data measured by inverse gas chromatography. The biological activity of mechanically denatured protein powders can either be reversible (lysozyme) or irreversible (β-galactosidase) upon hydration. Our surface data can be exploited to understand and predict the performance of protein powders within pharmaceutical dosage forms. Copyright © 2016 Elsevier B.V. All rights reserved.

  12. Constructing a multidimensional free energy surface like a spider weaving a web.

    Science.gov (United States)

    Chen, Changjun

    2017-10-15

    Complete free energy surface in the collective variable space provides important information of the reaction mechanisms of the molecules. But, sufficient sampling in the collective variable space is not easy. The space expands quickly with the number of the collective variables. To solve the problem, many methods utilize artificial biasing potentials to flatten out the original free energy surface of the molecule in the simulation. Their performances are sensitive to the definitions of the biasing potentials. Fast-growing biasing potential accelerates the sampling speed but decreases the accuracy of the free energy result. Slow-growing biasing potential gives an optimized result but needs more simulation time. In this article, we propose an alternative method. It adds the biasing potential to a representative point of the molecule in the collective variable space to improve the conformational sampling. And the free energy surface is calculated from the free energy gradient in the constrained simulation, not given by the negative of the biasing potential as previous methods. So the presented method does not require the biasing potential to remove all the barriers and basins on the free energy surface exactly. Practical applications show that the method in this work is able to produce the accurate free energy surfaces for different molecules in a short time period. The free energy errors are small in the cases of various biasing potentials. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  13. 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.

  14. 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 ...

  15. 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...

  16. 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 ...

  17. 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, ...

  18. 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...

  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)

    1990-12-31

    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.

  20. 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.

  1. 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 ...

  2. Effects of Different Surface Treatments on Composite Repairs.

    Science.gov (United States)

    Batista, Graziela Ribeiro; Kamozaki, Maria Beatriz Beber; Gutierrez, Natália Cortez; Caneppele, Taciana Marco Ferraz; Rocha Gomes Torres, Carlos

    2015-08-01

    2.75) (abc); CutC (16.79 ± 2.98)(abc); Nd60 (17.72 ± 2.45)(abcd); AlO (18.33 ± 3.19)(bcd); SIL (21.13 ± 4.48(cd); CoheC (23.50 ± 5.81)(d). The groups followed by the same letters were not statistically significantly different (Tukey's test). No correlation was found between bond strength and roughness (r = 0.007). Air abrasion with silica coating (Rocatec) was the only method which resulted in significantly higher bond strength in relation to the negative control group. The increase in laser energy produced a rougher surface, but reduced the bond strength.

  3. Couple of biomimetic surfaces with different morphologies for remanufacturing nonuniform wear rail surface

    Science.gov (United States)

    Sui, Qi; Zhou, Hong; Yang, Lin; Zhang, Haifeng; Feng, Li; Zhang, Peng

    2018-02-01

    In this work, biomimetic laser treatment was performed on repairing and remanufacturing the nonuniform worn rail surface. The wearing depth distribution of three work regions of a failure rail surface was discussed, and different thickness hardening layers with different microstructure, microhardness and wear resistances were detected from the worm surfaces. Varying wear resistances of the surfaces with different biomimetic morphologies were obtained by biomimetic laser treatments, and the corresponding effect on the lubrication sliding wear of treated and untreated surfaces were studied for comparative study. In addition, the relationship between wear resistance and the spacing of units was also provided, which can lay the important theoretical foundation for avoiding the wear resistance of the serious worn surface is less than that of the slight worn surface in the future practical applications.

  4. 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

  5. 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

  6. Effect of ion irradiation on the surface energy of deposited coatings

    Science.gov (United States)

    Eremin, E. N.; Guchenko, S. A.; Kasymov, S. S.; Yurov, V. M.; Vedyashkin, M. V.

    2017-01-01

    We investigated multi-element coatings exposed to argon ion bombardment. The coatings were irradiated using a multi-ampere hollow-cathode ion source. The arc current was 1 A, and the potential of the substrate was maintained equal to 300 V. The surface tension (surface energy) of the coatings was measured before and after irradiation through the size-dependence of the microhardness and electrical resistivity of coatings on their thickness. Ion irradiation was found to affect the surface energy of the coatings in different ways. This is due to both the structure of the coating and its elemental composition.

  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. 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.

  9. The surface energy balance of a polygonal tundra site in northern Siberia – Part 2: Winter

    Directory of Open Access Journals (Sweden)

    J. Boike

    2011-06-01

    Full Text Available In this study, we present the winter time surface energy balance at a polygonal tundra site in northern Siberia based on independent measurements of the net radiation, the sensible heat flux and the ground heat flux from two winter seasons. The latent heat flux is inferred from measurements of the atmospheric turbulence characteristics and a model approach. The long-wave radiation is found to be the dominant factor in the surface energy balance. The radiative losses are balanced to about 60 % by the ground heat flux and almost 40 % by the sensible heat fluxes, whereas the contribution of the latent heat flux is small. The main controlling factors of the surface energy budget are the snow cover, the cloudiness and the soil temperature gradient. Large spatial differences in the surface energy balance are observed between tundra soils and a small pond. The ground heat flux released at a freezing pond is by a factor of two higher compared to the freezing soil, whereas large differences in net radiation between the pond and soil are only observed at the end of the winter period. Differences in the surface energy balance between the two winter seasons are found to be related to differences in snow depth and cloud cover which strongly affect the temperature evolution and the freeze-up at the investigated pond.

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

    Science.gov (United States)

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

    2014-10-01

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

  11. Surface and Sliding Wear Behaviour of Different Coatings and Steels

    Directory of Open Access Journals (Sweden)

    Vera-Cárdenas E.E.

    2012-01-01

    Full Text Available In this work, the sliding wear behaviour of the coatings TiN, CrN and WC/C applied on steel substrates was studied using a reciprocating wear test machine. All tests were carried out in dry conditions, at room temperature (20-23 C and 45% - 50% relative humidity. The average sliding velocity was 0.08 m/s and an amplitude of 2 mm was used. The applied loads were 11.76 N (Po = 1.74 GPa and 7.84 N (Po = 1.52 GPa. Optical microscopy was used to observe the characteristics of wear scars and spalls and possible causes of their formation. The variation of the friction coefficient against the number of cycles was obtained. This was used to determine more precisely the time (number of cycles where the coating presented the first signs of wear, in addition Energy Dispersive X-ray analysis (EDS was performed, as well as Scanning Electron Microscopy (SEM and hardness tests on the wear traces, which reinforced the previous observations. Thus it was possible to know the wear life of different coatings and possible causes of variation. Increasing the load was an important factor in the variation of wear life results. But it is also important to consider other factors such as surface roughness and thickness of coatings.

  12. Changes in Energy Imbalance at the Ocean Surface during the "hiatus" period

    Science.gov (United States)

    Yu, L.

    2016-02-01

    Despite the recent slowdown in the rate of surface warming, a general consensus exists, that is, the Earth continues to gain energy and almost all the energy added to the Earth system is accumulated in the oceans. Nevertheless, key issues remain unaddressed regarding the actual energy imbalance at the top-of-atmosphere and the Earth surface, their changes over time, and their storage and distribution in the oceans. Quantifying and tracking the energy flow through the Earth System require consistent and accurate record of observations, but existing observation platforms contain various degrees of uncertainty. There is a need to cross-validate the energy budget estimates from different resources and from different approaches. In this study, we conducted an assessment of net energy budget at the ocean surface estimated from three general sources, the satellite-based analysis (WHOI OAFlux and NASA CERES), an ocean state estimator (MIT ECCO), and the atmospheric reanalysis products. For the "hiatus" period (2001-2010) in study, all products show that the oceans have been on net energy gain, but the magnitude varies and the differences in the rate of the decadal change in energy imbalance are large. While the reanalysis products show either upward or downward trends, ECCO and OAFlux/CERES indicate that the energy imbalance remains near constant. The downward trend in ERA-Interim started from 2006, driven by a peculiar pattern change in the Pacific. ECCO, which used ERA-Interim as initial surface forcing, corrected the pattern and maintained a near steady rate. ECCO assimilates observations from oceanographic satellites and Argo profiles, while the OAFlux/CERES Qnet were obtained from satellite atmospheric and near-surface observations using no dynamical models but the state-of-the-art flux algorithms and statistical approaches. Given the differences in input data sources and approaches, the agreement between ECCO and OAFlux/CERES is encouraging and instructive.

  13. [Corrosion resistant properties of different anodized microtopographies on titanium surfaces].

    Science.gov (United States)

    Fangjun, Huo; Li, Xie; Xingye, Tong; Yueting, Wang; Weihua, Guo; Weidong, Tian

    2015-12-01

    To investigate the corrosion resistant properties of titanium samples prepared by anodic oxidation with different surface morphologies. Pure titanium substrates were treated by anodic oxidation to obtain porous titanium films in micron, submicron, and micron-submicron scales. The surface morphologies, coating cross-sectional morphologies, crystalline structures, and surface roughness of these samples were characterized. Electrochemical technique was used to measure the corrosion potential (Ecorr), current density of corrosion (Icorr), and polarization resistance (Rp) of these samples in a simulated body fluid. Pure titanium could be modified to exhibit different surface morphologies by the anodic oxidation technique. The Tafel curve results showed that the technique can improve the corrosion resistance of pure titanium. Furthermore, the corrosion resistance varied with different surface morphologies. The submicron porous surface sample demonstrated the best corrosion resistance, with maximal Ecorr and Rp and minimal Icorr. Anodic oxidation technology can improve the corrosion resistance of pure titanium in a simulated body fluid. The submicron porous surface sample exhibited the best corrosion resistance because of its small surface area and thick barrier layer.

  14. 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.

  15. 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.

  16. 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.

  17. Frost formation on a plate with different surface hydrophilicity

    Energy Technology Data Exchange (ETDEWEB)

    Hyunuk Lee; Jongmin Shin; Samchul Ha; Bongjun Choi [Digital Appliance Co. Research Lab., L G Electronics Inc., Changwon, Kyoungnam (Korea); Jaekeun Lee

    2004-10-01

    The objectives of this study are to develop frost maps for two different surfaces having two different hydrophilic characteristics and to find ambient conditions associated with the formation of frost structures. Test samples with two different surfaces having dynamic contact angle (DCA) of 23{sup o} and 88{sup o} were installed in a wind tunnel and exposed to a humid airflow. Frost structure is observed with a visualization system in the operating conditions of household refrigerator: airflow temperature in the range of 20 {sup o}C, humidity in the range of 2.64-9.36 g/kg, Reynolds number in the range of 7000-17,000 and cold plate temperature in the range of -11.6 to -28.4 {sup o}C. As a result of this study, frost structures are classified and frost maps are proposed for two different surface hydrophilicities. Surface with low DCA (23{sup o}) shows lower frost thickness and higher frost density than that with high DCA (88{sup o}). It was found that frost structures on surfaces with different DCA are similar. However, low DCA surface at low humidity provides 20-30% denser frost formation due to the shift of areas with different structures. (Author)

  18. 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.

  19. 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

  20. Changes in surface energy partitioning in China over the past three decades

    Science.gov (United States)

    Qian, Yitian; Hsu, Pang-Chi; Cheng, Chi-Han

    2017-05-01

    Surface energy balance and the partitioning of sensible heat flux (SHF) and latent heat flux (LHF) play key roles in land-atmosphere feedback. However, the lack of long-term observations of surface energy fluxes, not to mention spatially extensive ones, limits our understanding of how the surface energy distribution has responded to a warming climate over recent decades (1979-2009) at the national scale in China. Using four state-of-the-art reanalysis products with long-term surface energy outputs, we identified robust changes in surface energy partitioning, defined by the Bowen ratio (BR = SHF/LHF), over different climate regimes in China. Over the past three decades, the net radiation showed an increasing trend over almost the whole of China. The increase in available radiative energy flux, however, was balanced by differential partitioning of surface turbulent fluxes, determined by local hydrological conditions. In semi-arid areas, such as Northeast China, the radiative energy was transferred largely into SHF. A severe deficiency in near-surface and soil moistures led to a significant decreasing trend in LHF. The combined effect of increased SHF and decreased LHF resulted in significant upward trends in the BR and surface warming over Northeast China. In contrast, in the wet monsoon regions, such as southern China, increased downward net radiation favored a rise in LHF rather than in SHF, leading to a significant decreasing trend in the BR. Meanwhile, the increased LHF partly cancelled out the surface warming. The warming trend in southern China was smaller than that in Northeast China. In addition to impacts on heat-related events, the changes in the BR also reflected recent cases of extreme drought in China. Our results indicate that information regarding the BR may be valuable for drought monitoring, especially in regions prone to such conditions.

  1. 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.

  2. 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.

  3. 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.

  4. High resolution electron energy loss spectroscopy of clean and hydrogen covered Si(001) surfaces: first principles calculations.

    Science.gov (United States)

    Patterson, C H

    2012-09-07

    Surface phonons, conductivities, and loss functions are calculated for reconstructed (2×1), p(2×2) and c(4×2) clean Si(001) surfaces, and (2×1) H and D covered Si(001) surfaces. Surface conductivities perpendicular to the surface are significantly smaller than conductivities parallel to the surface. The surface loss function is compared to high resolution electron energy loss measurements. There is good agreement between calculated loss functions and experiment for H and D covered surfaces. However, agreement between experimental data from different groups and between theory and experiment is poor for clean Si(001) surfaces. Formalisms for calculating electron energy loss spectra are reviewed and the mechanism of electron energy losses to surface vibrations is discussed.

  5. 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

  6. 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)

  7. 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.)

  8. Symmetrical electroadhesives independent of different interfacial surface conditions

    Science.gov (United States)

    Guo, J.; Hovell, T.; Bamber, T.; Petzing, J.; Justham, L.

    2017-11-01

    Current electroadhesive actuators cannot produce stable electroadhesive forces on the same substrate with different interfacial surface interactions. It is, therefore, desirable to develop electroadhesive actuators that can generate stable adhesive forces on different surface conditions. A symmetrical electroadhesive pad that is independent of different interfacial scratch directions is developed and presented. A relative difference of only 6.4% in the normal force direction was observed when the electroadhesive was facing an aluminium plate with surface scratch directions of 0°, 45°, 90°, and 135°. This step-change improvement may significantly promote the application of electroadhesion technology. In addition, this manifests that significant performance improvements could be achieved via further investigations into electroadhesive designs.

  9. Cell behavior related to implant surfaces with different microstructure and chemical composition: an in vitro analysis.

    Science.gov (United States)

    Conserva, Enrico; Lanuti, Anna; Menini, Maria

    2010-01-01

    This paper reports on an in vitro comparison of osteoblast and mesenchymal stem cell (MSC) adhesion, proliferation, and differentiation related to two different surface treatments applied to the same implant design to determine whether the interaction between cells and implants is influenced by surface structure and chemical composition of the implants. Thirty-nine implants with a sandblasted (SB) surface and 39 implants with a grit-blasted and high-temperature acid-etched (GBAE) surface were used. The implant macrostructures and microstructures were analyzed by high- and low-voltage scanning electron microscopy (SEM) and by stereo-SEM. The surface chemical composition was investigated by energy dispersive analysis and x-ray photoemission spectroscopy. SaOS-2 osteoblasts and human MSCs were used for the evaluation of cell proliferation and alkaline phosphatase enzymatic activity in contact with the two surfaces. The GBAE surface showed fewer contaminants and a very high percentage of titanium (19.7%) compared to the SB surface (14.2%). The two surfaces showed similar mean roughness (Ra), but the depth (Rz) and density (RSm) of the porosity were significantly increased in the GBAE surface. The GBAE surface presented more osteoblast and MSC proliferation than the SB surface. No statistically significant differences in alkaline phosphatase activity were found between surfaces for either cellular line. The GBAE surface showed less surface contaminants and a higher percentage of titanium (19.7%) than the SB surface. The macro/micropore structured design and chemical composition of the GBAE surface allowed greater cell adhesion and proliferation and an earlier cell spreading but did not play an obvious role in in vitro cellular differentiation.

  10. 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

  11. Cell behavior on microparticles with different surface morphology

    Energy Technology Data Exchange (ETDEWEB)

    Huang Sha [Wound Healing and Cell Biology Laboratory, Institute of Basic Medical Sciences, General Hospital of PLA, Beijing 100853 (China); Fu Xiaobing, E-mail: fuxiaobing@vip.sina.co [Wound Healing and Cell Biology Laboratory, Institute of Basic Medical Sciences, General Hospital of PLA, Beijing 100853 (China); Burns Institute, The First Affiliated Hospital, General Hospital of PLA, Trauma Center of Postgraduate Medical College, Beijing 100037 (China)

    2010-03-18

    Microparticles can serve as substrates for cell amplification and deliver the cell aggregation to the site of the defect for tissue regeneration. To develop favorable microparticles for cell delivery application, we fabricated and evaluated three types of microparticles that differ in surface properties. The microparticles with varied surface morphology (smooth, pitted and multicavity) were created from chemically crosslinked gelatin particles that underwent various drying treatments. Three types of microparticles were characterized and assessed in terms of the cell behavior of human keratinocytes and fibroblasts seeded on them. The cells could attach, spread and proliferate on all types of microparticles but spread and populated more slowly on the microparticles with smooth surfaces than on those with pitted or multicavity surfaces. Microparticles with a multicavity surface demonstrated the highest cell attachment and growth rate. Furthermore, cells tested on microparticles with a multicavity surface exhibited better morphology and induced the earlier formation of extracellular-based cell-microparticle aggregation than those on microparticles with other surface morphology (smooth and pitted). Thus, microparticles with a multicavity surface show promise for attachment and proliferation of cells in tissue engineering.

  12. The influence of different dietary energy concentrations on the ...

    African Journals Online (AJOL)

    The influence of different dietary energy concentrations on the production parameters of feedlot ostriches. T.S. Brand, S.F. Viviers, J van der Merwe, L.C. Hoffman. Abstract. Energy is essential for the continuous survival of any living organism. In ostrich diets, energy is usually derived from maize, which is often subject to ...

  13. Assessing Understanding of the Energy Concept in Different Science Disciplines

    Science.gov (United States)

    Park, Mihwa; Liu, Xiufeng

    2016-01-01

    Energy is one of the most central and richly connected ideas across all science disciplines. The purpose of this study was to develop a measurement instrument for assessing students' understanding of the energy concept within and across different science disciplines. To achieve this goal, the Inter-Disciplinary Energy concept Assessment (IDEA) was…

  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. Cleaning of biomaterial surfaces: protein removal by different solvents.

    Science.gov (United States)

    Kratz, Fabian; Grass, Simone; Umanskaya, Natalia; Scheibe, Christian; Müller-Renno, Christine; Davoudi, Neda; Hannig, Matthias; Ziegler, Christiane

    2015-04-01

    The removal of biofilms or protein films from biomaterials is still a challenging task. In particular, for research investigations on real (applied) surfaces the reuse of samples is of high importance, because reuse allows the comparison of the same sample in different experiments. The aim of the present study was to evaluate the cleaning efficiency of different solvents (SDS, water, acetone, isopropanol, RIPA-buffer and Tween-20) on five different biomaterials (titanium, gold, PMMA (no acetone used), ceramic, and PTFE) with different wettability which were covered by layers of two different adsorbed proteins (BSA and lysozyme). The presence of a protein film after adsorption was confirmed by transmission electron microscopy (TEM). After treatment of the surfaces with the different solvents, the residual proteins on the surface were determined by BCA-assay (bicinchoninic acid assay). Data of the present study indicate that SDS is an effective solvent, but for several protein-substrate combinations it does not show the cleaning efficiency often mentioned in literature. RIPA-buffer and Tween-20 were more effective. They showed very low residual protein amounts after cleaning on all examined material surfaces and for both proteins, however, with small differences for the respective substrate-protein combinations. RIPA-buffer in combination with ultrasonication completely removed the protein layer as confirmed by TEM. Copyright © 2015 Elsevier B.V. All rights reserved.

  17. 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...

  18. 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.

  19. Analysis of Different Methods for Computing Source Energy in the Context of Zero Energy Buildings

    Energy Technology Data Exchange (ETDEWEB)

    Torcellini, Paul A.; Bonnema, Eric; Goldwasser, David; Pless, Shanti

    2016-08-26

    Building energy consumption can only be measured at the site or at the point of utility interconnection with a building. Often, to evaluate the total energy impact, this site-based energy consumption is translated into source energy, that is, the energy at the point of fuel extraction. Consistent with this approach, the U.S. Department of Energy's (DOE) definition of zero energy buildings uses source energy as the metric to account for energy losses from the extraction, transformation, and delivery of energy. Other organizations, as well, use source energy to characterize the energy impacts. Four methods of making the conversion from site energy to source energy were investigated in the context of the DOE definition of zero energy buildings. These methods were evaluated based on three guiding principles--improve energy efficiency, reduce and stabilize power demand, and use power from nonrenewable energy sources as efficiently as possible. This study examines relative trends between strategies as they are implemented on very low-energy buildings to achieve zero energy. A typical office building was modeled and variations to this model performed. The photovoltaic output that was required to create a zero energy building was calculated. Trends were examined with these variations to study the impacts of the calculation method on the building's ability to achieve zero energy status. The paper will highlight the different methods and give conclusions on the advantages and disadvantages of the methods studied.

  20. 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.

  1. Osteoblast response to zirconia surfaces with different topographies

    Energy Technology Data Exchange (ETDEWEB)

    Herath, H.M.T.U. [Department of Medical Laboratory Science, Faculty of Allied Health Sciences, University of Peradeniya (Sri Lanka); Di Silvio, L. [Guy' s, King' s and St Thomas' Medical and Dental Institute, King' s College London, London SE1 9RT (United Kingdom); Evans, J.R.G., E-mail: j.r.g.evans@ucl.ac.uk [Department of Chemistry, University College London, 20 Gordon Street, London WC1H 0AJ (United Kingdom)

    2015-12-01

    Zirconia-3 mol% yttria ceramics were prepared with as-sintered, abraded, polished, and porous surfaces in order to explore the attachment, proliferation and differentiation of osteoblast-like cells. After modification, all surfaces were heated to 600 °C to extinguish traces of organic contamination. All surfaces supported cell attachment, proliferation and differentiation but the surfaces with grain boundary grooves or abraded grooves provided conditions for enhanced initial cell attachment. Nevertheless, overall cell proliferation and total DNA were highest on the polished surface. Zirconia sintered at a lower temperature (1300 °C vs. 1450 °C) had open porosity and presented reduced proliferation as assessed by alamarBlue™ assay, possibly because the openness of the pores prevented cells developing a local microenvironment. All cells retained the typical polygonal morphology of osteoblast-like cells with variations attributable to the underlying surface notably alignment along the grooves of the abraded surface. - Highlights: • Biocompatibility of chemically identical, topologically different ZrO{sub 2} was tested. • ZrO{sub 2} promoted cell adhesion, proliferation, differentiation and nodule formation. • Proliferation was high on polished ZrO{sub 2} but initial recruitment was high on abraded ZrO{sub 2}. • With open porosity, proliferation was low; cells cannot establish a microenvironment.

  2. Perception of the energy question in different regions of France

    International Nuclear Information System (INIS)

    Fouque, B.; Villaret, J.M.

    1982-01-01

    The authors first outline the main variables which account for regional differences in the perception of the energy question, and go on to discuss these differences and the factors underlying them [fr

  3. Influence of different energy sources on the performance of broiler ...

    African Journals Online (AJOL)

    Influence of different energy sources on the performance of broiler chicks. PN Onu, LLC Ugwu, MO Otuma, EN Uchewa. Abstract. An experiment was conducted with 63 day-old Anak broiler chicks to investigate the growth response of broilers fed diets containing different energy sources. Three experimental diets were ...

  4. Reproductive Performance in Response to Different Energy and ...

    African Journals Online (AJOL)

    This study was conducted to investigate the effects of feeding different levels of energy and protein on the reproductive performance of Sudanese Nubian goats. Forty- four female Nubian goats (3-5 years old) were divided into four equal groups and fed on different levels of energy (2.22 -3.12 Mcal /kg DM) and protein (7.3% ...

  5. A Methodology to Allow Comparison among Different Energy Systems

    NARCIS (Netherlands)

    Colli, A.

    2009-01-01

    The work proposes a methodology to overcome diversity of risk expressions and allow comparison among different energy systems, being them connected to traditional or innovative technologies. The investigation started with the analysis of ten different energy chains along their steps, which has led

  6. On the mechanics of continua with boundary energies and growing surfaces

    Science.gov (United States)

    Papastavrou, Areti; Steinmann, Paul; Kuhl, Ellen

    2013-06-01

    Many biological systems are coated by thin films for protection, selective absorption, or transmembrane transport. A typical example is the mucous membrane covering the airways, the esophagus, and the intestine. Biological surfaces typically display a distinct mechanical behavior from the bulk; in particular, they may grow at different rates. Growth, morphological instabilities, and buckling of biological surfaces have been studied intensely by approximating the surface as a layer of finite thickness; however, growth has never been attributed to the surface itself. Here, we establish a theory of continua with boundary energies and growing surfaces of zero thickness in which the surface is equipped with its own potential energy and is allowed to grow independently of the bulk. In complete analogy to the kinematic equations, the balance equations, and the constitutive equations of a growing solid body, we derive the governing equations for a growing surface. We illustrate their spatial discretization using the finite element method, and discuss their consistent algorithmic linearization. To demonstrate the conceptual differences between volume and surface growth, we simulate the constrained growth of the inner layer of a cylindrical tube. Our novel approach toward continua with growing surfaces is capable of predicting extreme growth of the inner cylindrical surface, which more than doubles its initial area. The underlying algorithmic framework is robust and stable; it allows to predict morphological changes due to surface growth during the onset of buckling and beyond. The modeling of surface growth has immediate biomedical applications in the diagnosis and treatment of asthma, gastritis, obstructive sleep apnoea, and tumor invasion. Beyond biomedical applications, the scientific understanding of growth-induced morphological instabilities and surface wrinkling has important implications in material sciences, manufacturing, and microfabrication, with applications in

  7. Shallow groundwater effect on land surface temperature and surface energy balance under bare soil conditions: modeling and description

    Directory of Open Access Journals (Sweden)

    F. Alkhaier

    2012-07-01

    Full Text Available Understanding when and how groundwater affects surface temperature and energy fluxes is significant for utilizing remote sensing in groundwater studies and for integrating aquifers within land surface models. To investigate the shallow groundwater effect under bare soil conditions, we numerically exposed two soil profiles to identical metrological forcing. One of the profiles had shallow groundwater. The different responses that the two profiles manifested were inspected regarding soil moisture, temperature and energy balance at the land surface. The findings showed that the two profiles differed in three aspects: the absorbed and emitted amounts of energy, the portioning out of the available energy and the heat fluency in the soil. We concluded that due to their lower albedo, shallow groundwater areas reflect less shortwave radiation and consequently get a higher magnitude of net radiation. When potential evaporation demand is sufficiently high, a large portion of the energy received by these areas is consumed for evaporation. This increases the latent heat flux and reduces the energy that could have heated the soil. Consequently, lower magnitudes of both sensible and ground heat fluxes are caused to occur. The higher soil thermal conductivity in shallow groundwater areas facilitates heat transfer between the top soil and the subsurface, i.e. soil subsurface is more thermally connected to the atmosphere. For the reliability of remote sensors in detecting shallow groundwater effect, it was concluded that this effect can be sufficiently clear to be detected if at least one of the following conditions occurs: high potential evaporation and high contrast between day and night temperatures. Under these conditions, most day and night hours are suitable for shallow groundwater depth detection.

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

    Science.gov (United States)

    Allan, Richard; Liu, Chunlei

    2017-04-01

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

  9. Batteries for efficient energy extraction from a water salinity difference.

    Science.gov (United States)

    La Mantia, Fabio; Pasta, Mauro; Deshazer, Heather D; Logan, Bruce E; Cui, Yi

    2011-04-13

    The salinity difference between seawater and river water is a renewable source of enormous entropic energy, but extracting it efficiently as a form of useful energy remains a challenge. Here we demonstrate a device called "mixing entropy battery", which can extract and store it as useful electrochemical energy. The battery, containing a Na(2-x)Mn(5)O(10) nanorod electrode, was shown to extract energy from real seawater and river water and can be applied to a variety of salt waters. We demonstrated energy extraction efficiencies of up to 74%. Considering the flow rate of river water into oceans as the limiting factor, the renewable energy production could potentially reach 2 TW, or ∼13% of the current world energy consumption. The mixing entropy battery is simple to fabricate and could contribute significantly to renewable energy in the future.

  10. Batteries for Efficient Energy Extraction from a Water Salinity Difference

    KAUST Repository

    La Mantia, Fabio

    2011-04-13

    The salinity difference between seawater and river water is a renewable source of enormous entropic energy, but extracting it efficiently as a form of useful energy remains a challenge. Here we demonstrate a device called "mixing entropy battery", which can extract and store it as useful electrochemical energy. The battery, containing a Na2-xMn 5O10 nanorod electrode, was shown to extract energy from real seawater and river water and can be applied to a variety of salt waters. We demonstrated energy extraction efficiencies of up to 74%. Considering the flow rate of river water into oceans as the limiting factor, the renewable energy production could potentially reach 2 TW, or ∼13% of the current world energy consumption. The mixing entropy battery is simple to fabricate and could contribute significantly to renewable energy in the future. © 2011 American Chemical Society.

  11. Diabat Interpolation for Polymorph Free-Energy Differences.

    Science.gov (United States)

    Kamat, Kartik; Peters, Baron

    2017-02-02

    Existing methods to compute free-energy differences between polymorphs use harmonic approximations, advanced non-Boltzmann bias sampling techniques, and/or multistage free-energy perturbations. This work demonstrates how Bennett's diabat interpolation method ( J. Comput. Phys. 1976, 22, 245 ) can be combined with energy gaps from lattice-switch Monte Carlo techniques ( Phys. Rev. E 2000, 61, 906 ) to swiftly estimate polymorph free-energy differences. The new method requires only two unbiased molecular dynamics simulations, one for each polymorph. To illustrate the new method, we compute the free-energy difference between face-centered cubic and body-centered cubic polymorphs for a Gaussian core solid. We discuss the justification for parabolic models of the free-energy diabats and similarities to methods that have been used in studies of electron transfer.

  12. Energy difference space random walk to achieve fast free energy calculations.

    Science.gov (United States)

    Min, Donghong; Yang, Wei

    2008-05-21

    A method is proposed to efficiently obtain free energy differences. In the present algorithm, free energy calculations proceed by the realization of an energy difference space random walk. Thereby, this algorithm can greatly improve the sampling of the regions in phase space where target states overlap.

  13. 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.

  14. Relationship between enamel bond fatigue durability and surface free-energy characteristics with universal adhesives.

    Science.gov (United States)

    Nagura, Yuko; Tsujimoto, Akimasa; Barkmeier, Wayne W; Watanabe, Hidehiko; Johnson, William W; Takamizawa, Toshiki; Latta, Mark A; Miyazaki, Masashi

    2018-04-01

    The relationship between enamel bond fatigue durability and surface free-energy characteristics with universal adhesives was investigated. The initial shear bond strengths and shear fatigue strengths of five universal adhesives to enamel were determined with and without phosphoric acid pre-etching. The surface free-energy characteristics of adhesive-treated enamel with and without pre-etching were also determined. The initial shear bond strength and shear fatigue strength of universal adhesive to pre-etched enamel were higher than those to ground enamel. The initial shear bond strength and shear fatigue strength of universal adhesive to pre-etched enamel were material dependent, unlike those to ground enamel. The surface free-energy of the solid (γ S ) and the hydrogen-bonding force (γSh) of universal adhesive-treated enamel were different depending on the adhesive, regardless of the presence or absence of pre-etching. The bond fatigue durability of universal adhesives was higher to pre-etched enamel than to ground enamel. In addition, the bond fatigue durability to pre-etched enamel was material dependent, unlike that to ground enamel. The surface free-energy characteristics of universal adhesive-treated enamel were influenced by the adhesive type, regardless of the presence or absence of pre-etching. The surface free-energy characteristics of universal adhesive-treated enamel were related to the results of the bond fatigue durability. © 2018 Eur J Oral Sci.

  15. 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.

  16. Silver nanoprisms self-assembly on differently functionalized silica surface

    International Nuclear Information System (INIS)

    Pilipavicius, J; Chodosovskaja, A; Beganskiene, A; Kareiva, A

    2015-01-01

    In this work colloidal silica/silver nanoprisms (NPRs) composite coatings were made. Firstly colloidal silica sols were synthesized by sol-gel method and produced coatings on glass by dip-coating technique. Next coatings were silanized by (3-Aminopropyl)triethoxysilane (APTES), N-[3-(Trimethoxysilyl)propyl]ethylenediamine (AEAPTMS), (3- Mercaptopropyl)trimethoxysilane (MPTMS). Silver NPRs where synthesized via seed-mediated method and high yield of 94±15 nm average edge length silver NPRs were obtained with surface plasmon resonance peak at 921 nm. Silica-Silver NPRs composite coatings obtained by selfassembly on silica coated-functionalized surface. In order to find the most appropriate silanization way for Silver NPRs self-assembly, the composite coatings were characterized by scanning electron microscopy (SEM), dynamic light scattering (DLS), water contact angle (CA) and surface free energy (SFE) methods. Results have showed that surface functionalization is necessary to achieve self-assembled Ag NPRs layer. MPTMS silanized coatings resulted sparse distribution of Ag NPRs. Most homogeneous, even distribution composite coatings obtained on APTES functionalized silica coatings, while AEAPTMS induced strong aggregation of Silver NPRs

  17. Silver nanoprisms self-assembly on differently functionalized silica surface

    Science.gov (United States)

    Pilipavicius, J.; Chodosovskaja, A.; Beganskiene, A.; Kareiva, A.

    2015-03-01

    In this work colloidal silica/silver nanoprisms (NPRs) composite coatings were made. Firstly colloidal silica sols were synthesized by sol-gel method and produced coatings on glass by dip-coating technique. Next coatings were silanized by (3-Aminopropyl)triethoxysilane (APTES), N-[3-(Trimethoxysilyl)propyl]ethylenediamine (AEAPTMS), (3- Mercaptopropyl)trimethoxysilane (MPTMS). Silver NPRs where synthesized via seed-mediated method and high yield of 94±15 nm average edge length silver NPRs were obtained with surface plasmon resonance peak at 921 nm. Silica-Silver NPRs composite coatings obtained by selfassembly on silica coated-functionalized surface. In order to find the most appropriate silanization way for Silver NPRs self-assembly, the composite coatings were characterized by scanning electron microscopy (SEM), dynamic light scattering (DLS), water contact angle (CA) and surface free energy (SFE) methods. Results have showed that surface functionalization is necessary to achieve self-assembled Ag NPRs layer. MPTMS silanized coatings resulted sparse distribution of Ag NPRs. Most homogeneous, even distribution composite coatings obtained on APTES functionalized silica coatings, while AEAPTMS induced strong aggregation of Silver NPRs.

  18. The Size and Shape dependence of the Surface Free Energy of Nanocrystals

    Science.gov (United States)

    Abdul-Hafidh, Esam

    Based on many recent reports, it became possible to control the synthesis of nanomaterials with certain sizes and shapes. A theoretical model to investigate the effect of size and shape on the surface free energy of nanocrystals is worked out in this research. The model is applied to a general shape and size nanocrsytal designated by a shape factor. The model considers all nanocrystals with different morphologies (but with the same shape factor) to be the same. The results were tested for gold and silver. The surface free energy was found to decrease with size for spherical nanocrystals. On the other hand, the surface free energy is enhanced for non-spherical nanocrystals. These findings are in qualitative agreement with previous experimental and theoretical predictions. The results pave the road to manufacture controlled- mechanical properties materials.

  19. Evaluation of Cellulosic Fabrics Surface Characteristics after Different Treatments

    OpenAIRE

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

    2014-01-01

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

  20. 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.

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

    International Nuclear Information System (INIS)

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

    2016-01-01

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

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

    Directory of Open Access Journals (Sweden)

    M. Wild

    2017-08-01

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

  4. 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.

  5. 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

  6. 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.

  7. 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.

  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. 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

  10. 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

  11. 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.

  12. 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)

  13. Resonance Energy Transfer in Hybrid Devices in the Presence of a Surface

    DEFF Research Database (Denmark)

    Kopylov, Oleksii; Huck, Alexander; Kadkhodazadeh, Shima

    2014-01-01

    We have studied room-temperature, nonradiative resonant energy transfer from InGaN/GaN quantum wells to CdSe/ZnS nanocrystals separated by aluminum oxide layers of different thicknesses. Nonradiative energy transfer from the quantum wells to the nanocrystals at separation distances of up...... to approximately 10 nm was observed. By comparing the carrier dynamics of the quantum wells and the nanocrystals, we found that nonradiative recombination via surface states, generated during dry etching of the wafer, counteracts the nonradiative energy-transfer process to the nanocrystals and therefore decreases...

  14. 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.

  15. Surface and sliding wear behaviour of different coatings and steels

    Energy Technology Data Exchange (ETDEWEB)

    Vera-Cardenas, E.E. [Universidad Politecnica de Pachuca, Zempoala, Hidalgo (Mexico)]. E-mail: evera@upp.edu.mx; Vite-Torres, M. [Instituto Politecnico Nacional, Mexico D.F. (Mexico)]. E-mail: drmanulvite9@hotmail.com; Lewis, R. [University of Sheffield (United Kingdom)]. E-mail: roger.lewis@sheffield.ac.uk

    2012-01-15

    In this work, the sliding wear behaviour of the coatings TiN, CrN and WC/C applied on steel substrates was studied using a reciprocating wear test machine. All tests were carried out in dry conditions, at room temperature (20-23 degrees Celsius and 45% - 50% relative humidity). The average sliding velocity was 0.08 m/s and an amplitude of 2 mm was used. The applied loads were 11.76 N (Po = 1.74 GPa) and 7.84 N (Po = 1.52 GPa). Optical microscopy was used to observe the characteristics of wear scars and spalls and possible causes of their formation. The variation of the friction coefficient against the number of cycles was obtained. This was used to determine more precisely the time (number of cycles) where the coating presented the first signs of wear, in addition Energy Dispersive X-ray analysis (EDS) was performed, as well as Scanning Electron Microscopy (SEM) and hardness tests on the wear traces, which reinforced the previous observations. Thus it was possible to know the wear life of different coatings and possible causes of variation. Increasing the load was an important factor in the variation of wear life results. But it is also important to consider other factors such as surface roughness and thickness of coatings. [Spanish] En este trabajo se estudio el comportamiento en desgaste por deslizamiento de los recubrimientos de TiN, CrN y WC/C aplicados sobre sustratos de acero. Las pruebas se realizaron con una maquina reciprocante en condiciones secas a temperatura ambiente (20-23 grados centigrados y 45% - 50% de humedad relativa). Se empleo una velocidad promedio de 0.08 m/s y una amplitud de 2 mm. Las cargas aplicadas fueron de 11.76N (Po = 1.74 GPa) y de 7.84 N (Po = 1.52 GPa). Se realizo microscopia optica para observar las caracteristicas de las zonas de desgaste y sus posibles causas de formacion. Se obtuvo graficamente la variacion del coeficiente de friccion con el numero de ciclos. Estos datos se emplearon para determinar con mayor precision el

  16. Applications of SOECs in different types of energy systems

    DEFF Research Database (Denmark)

    Mathiesen, Brian Vad; Ridjan, Iva; Hansen, Kenneth

    for using combined capacities of SOEC and SOFC was investigated as this can potentially improve the profitability of the investment, but also improve the stability of the energy system by offering grid-balancing capacity when intermittent resources cannot meet the demand for electricity. Finally, five......Different aspects of electrolyser integration in energy systems was investigated in order to determine the potential of using this technology in the future. The first analysis examined the influence of the use of co-electrolysis for the fuel production process in comparison with using steam...... different energy systems were analysed in order to determine the operation of electrolysers: Danish 100% renewable scenario for 2050, smart energy system Germany 2050 and three nuclear scenarios for Germany with different shares of nuclear energy (15%, 30% and 45%) of the electricity production...

  17. Surface roughness of orthodontic band cements with different compositions

    Directory of Open Access Journals (Sweden)

    Françoise Hélène van de Sande

    2011-06-01

    Full Text Available OBJECTIVES: The present study evaluated comparatively the surface roughness of four orthodontic band cements after storage in various solutions. MATERIAL AND METHODS: Eight standardized cylinders were made from 4 materials: zinc phosphate cement (ZP, compomer (C, resin-modified glass ionomer cement (RMGIC and resin cement (RC. Specimens were stored for 24 h in deionized water and immersed in saline (pH 7.0 or 0.1 M lactic acid solution (pH 4.0 for 15 days. Surface roughness readings were taken with a profilometer (Surfcorder SE1200 before and after the storage period. Data were analyzed by two-way ANOVA and Tukey's test (comparison among cements and storage solutions or paired t-test (comparison before and after the storage period at 5% significance level. RESULTS: The values for average surface roughness were statistically different (pRMGIC>C>R (p0.05. Compared to the current threshold (0.2 µm related to biofilm accumulation, both RC and C remained below the threshold, even after acidic challenge by immersion in lactic acid solution. CONCLUSIONS: Storage time and immersion in lactic acid solution increased the surface roughness of the majority of the tested cements. RC presented the smoothest surface and it was not influenced by storage conditions.

  18. 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.

  19. Energy dissipation of highly charged ions interacting with solid surfaces; Energieeintrag langsamer hochgeladener Ionen in Festkoerperoberflaechen

    Energy Technology Data Exchange (ETDEWEB)

    Kost, D.

    2006-07-01

    Motivated by the incomplete scientific description of the relaxation of highly charged ions in front of solid surfaces and their energy balance, this thesis describes an advanced complementary study of determining deposited fractions and re-emitted fractions of the potential energy of highly charged ions. On one side, a calorimetric measurement setup is used to determine the retained potential energy and on the other side, energy resolved electron spectroscopy is used for measuring the reemitted energy due to secondary electron emission. In order to study the mechanism of energy retention in detail, materials with different electronic structures are investigated: Cu, n-Si, p-Si and SiO{sub 2}. In the case of calorimetry, a linear relationship between the deposited potential energy and the inner potential energy of the ions was determined. The total potential energy which stays in the solid remains almost constant at about (80 {+-} 10) %. Comparing the results of the Cu, n-Si and p-Si targets, no significant difference could be shown. Therefore we conclude that the difference in energy deposition between copper, n-doped Si and p-doped Si is below 10 %, which is significantly lower than using SiO{sub 2} targets. For this purpose, electron spectroscopy provides a complementary result. For Cu and Si surfaces, an almost linear increase of the re-emitted energy with increasing potential energy of the ion up to Ar{sup 7+} was also observed. The ratio of the re-emitted energy is about (10 {+-} 5) % of the total potential energy of the incoming ion, almost independent of the ion charge state. In contrast, an almost vanishing electron emission was observed for SiO{sub 2} and for charge states below q=7. For Ar{sup 8+} and Ar{sup 9+}, the electron emission increased due to the contribution of the projectile LMM Auger electrons and the re-emitted energy amounts up to 20 % for Cu and Si and around 10 % for SiO{sub 2}. These results are in good agreement with the calorimetric

  20. 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.)

  1. 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.

  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. Clay mineralogy in different geomorphic surfaces in sugarcane areas

    Science.gov (United States)

    Camargo, L.; Marques, J., Jr.

    2012-04-01

    The crystallization of the oxides and hydroxides of iron and aluminum and kaolinite of clay fraction is the result of pedogenetic processes controlled by the relief. These minerals have influence on the physical and chemical attributes of soil and exhibit spatial dependence. The pattern of spatial distribution is influenced by forms of relief as the geomorphic surfaces. In this sense, the studies aimed at understanding the relationship between relief and the distribution pattern of the clay fraction attributes contribute to the delineation of specific areas of management in the field. The objective of this study was to evaluate the spatial distribution of oxides and hydroxides of iron and aluminum and kaolinite of clay fraction and its relationship with the physical and chemical attributes in different geomorphic surfaces. Soil samples were collected in a transect each 25 m (100 samples) and in the sides of the same (200 samples) as well as an area of 500 ha (1 sample each six hectare). Geomorphic surfaces (GS) in the transect were mapped in detail to support mapping the entire area. The soil samples were taken to the laboratory for chemical, physical, and mineralogical analysis, and the pattern of spatial distribution of soil attributes was obtained by statistics and geostatistics. The GS I is considered the oldest surface of the study area, with depositional character, and a slope ranging from 0 to 4%. GS II and III are considered to be eroded, and the surface II plan a gentle slope that extends from the edge of the surface until the beginning of I and III. The crystallographic characteristics of the oxides and hydroxides of iron and aluminum and kaolinite showed spatial dependence and the distribution pattern corresponding to the limits present of the GS in the field. Surfaces I and II showed the best environments to the degree of crystallinity of hematite and the surface III to the greatest degree of crystallinity of goethite agreeing to the pedoenvironment

  4. Original Research. Surface Roughness Changes of Different Restoration Materials after Tooth Brushing Simulation Using Different Toothpastes

    Directory of Open Access Journals (Sweden)

    Dudás Csaba

    2017-03-01

    Full Text Available Background: The need for the whitening effects of toothpastes became primary for most users. Changes in the surface roughness of restoration materials after tooth brushing are inevitable, and the abrasion is known to increase the possibility of dental plaque accumulation. Aim of the study: To evaluate in vitro surface roughness changes of different dental restorative materials after tooth brushing simulation. Material and methods: Fifty specimens of two composite materials (Evicrol, Super-Cor, two glass ionomer materials (Glassfill, Kavitan Cem and a silicate cement (Fritex were prepared according to the manufacturer’s instructions. Each group of specimens was divided in three subgroups for tooth brushing simulation: using two different types of toothpaste and without toothpaste. Before and after 153 hours of tooth brushing simulation with a custom-made device, the surface roughness was measured with a surface roughness tester. Statistical analysis was performed after collecting the data. Results: All materials exhibited changes in surface roughness after the use of both toothpastes. The self-curing composite showed the less change and glass ionomer materials showed the greatest changes in surface roughness. Conclusions: The surface changes of dental materials depended on their composition and the cleaning procedure. Although self-curing composite was the most resistant to surface changes, its surface roughness values were high. Light-curing composite presented the lowest surface roughness values, even after brushing with toothpastes. The “medium” labeled toothbrush caused significant changes without toothpaste on the surface of light-curing composite, glass ionomer and silicate cement materials.

  5. Micro reflectance difference techniques: Optical probes for surface exploration

    Energy Technology Data Exchange (ETDEWEB)

    Lastras-Martinez, L.F.; Del Pozo-Zamudio, O.; Herrera-Jasso, R.; Ulloa-Castillo, N.A.; Balderas-Navarro, R.E.; Ortega-Gallegos, J.; Lastras-Martinez, A. [Instituto de Investigacion en Comunicacion Optica, Universidad Autonoma de San Luis Potosi, Alvaro Obregon 64, 78000 San Luis Potosi, S.L.P. (Mexico)

    2012-06-15

    Micro reflectance difference spectroscopy ({mu}-RDS) is a promising tool for the in-situ and ex-situ characterization of semiconductors surfaces and interfaces. We discuss and compare two different approaches used to measure {mu}-RD spectra. One is based on a charge-coupled device (CCD) camera, while the other uses a laser and a XY translation stage. To show the performance of these systems, we have measured surface optical anisotropies of GaSb(001) sample on which anisotropic strains have been generated by preferential mechanical polishing along [110] and [1 anti 10] directions. The spectrometers are complementary and the selection of one of them depends on the sample to be investigated and on experimental conditions. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  6. Role of surface energy and nano-roughness in the removal efficiency of bacterial contamination by nonwoven wipes from frequently touched surfaces.

    Science.gov (United States)

    Edwards, Nicholas W M; Best, Emma L; Connell, Simon D; Goswami, Parikshit; Carr, Chris M; Wilcox, Mark H; Russell, Stephen J

    2017-01-01

    Healthcare associated infections (HCAIs) are responsible for substantial patient morbidity, mortality and economic cost. Infection control strategies for reducing rates of transmission include the use of nonwoven wipes to remove pathogenic bacteria from frequently touched surfaces. Wiping is a dynamic process that involves physicochemical mechanisms to detach and transfer bacteria to fibre surfaces within the wipe. The purpose of this study was to determine the extent to which systematic changes in fibre surface energy and nano-roughness influence removal of bacteria from an abiotic polymer surface in dry wiping conditions, without liquid detergents or disinfectants. Nonwoven wipe substrates composed of two commonly used fibre types, lyocell (cellulosic) and polypropylene, with different surface energies and nano-roughnesses, were manufactured using pilot-scale nonwoven facilities to produce samples of comparable structure and dimensional properties. The surface energy and nano-roughness of some lyocell substrates were further adjusted by either oxygen (O 2 ) or hexafluoroethane (C 2 F 6 ) gas plasma treatment. Static adpression wiping of an inoculated surface under dry conditions produced removal efficiencies of between 9.4% and 15.7%, with no significant difference ( p  nonwoven wipe substrates with a surface energy closest to that of the contaminated surface produced the highest E. coli removal efficiency, while the associated increase in fibre nano-roughness abrogated this trend with S. aureus and E. faecalis .

  7. Experimental and numerical investigations of the impingement of an oblique liquid jet onto a superhydrophobic surface: energy transformation

    Energy Technology Data Exchange (ETDEWEB)

    Kibar, Ali, E-mail: alikibar@kocaeli.edu.tr [Department of Mechanical and Material Technologies, Kocaeli University, 41285, Arslanbey Campus, Kocaeli (Turkey)

    2016-02-15

    This study presents the theory of impinging an oblique liquid jet onto a vertical superhydrophobic surface based on both experimental and numerical results. A Brassica oleracea leaf with a 160° apparent contact angle was used for the superhydrophobic surface. Distilled water was sent onto the vertical superhydrophobic surface in the range of 1750–3050 Reynolds number, with an inclination angle of 20°−40°, using a circular glass tube with a 1.75 mm inner diameter. The impinging liquid jet spread onto the surface governed by the inertia of the liquid and then reflected off the superhydrophobic surface due to the surface energy of the spreading liquid. Two different energy approaches, which have time-scale and per-unit length, were performed to determine transformation of the energy. The kinetic energy of the impinging liquid jet was transformed into the surface energy with an increasing interfacial surface area between the liquid and air during spreading. Afterwards, this surface energy of the spreading liquid was transformed into the reflection kinetic energy. (paper)

  8. 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...

  9. 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.

  10. Topographic forcing and related uncertainties on glacier surface energy balance in High Mountain Asia

    Science.gov (United States)

    Olson, M.; Rupper, S.; Shean, D. E.

    2017-12-01

    Topography directly influences the amount of global radiation, as well as other key energy flux terms, arriving on a glacier surface. This is particularly important in regions of variable and complex topography such as High Mountain Asia (HMA). In this region surface energy and mass balance estimates often rely heavily on modeling, and thus require accurate accounting of topography through available remote sensing platforms. Our previous work shows that topographic shading from surrounding terrain can alter the mean daily potential direct shortwave radiation by upwards of 20% for some valley glaciers. In this work, we find in regions of high topographic relief that shading frequently dominates in the ablation zone rather than the accumulation zone, contrary to the findings of some previous studies. This however, is largely dependent on the valley aspect and relative relief of nearby terrain. In addition, we examine the impact of topography, primarily topographic shading, on components of surface energy balance for a large sample of glaciers across different regions in HMA. Our results show that while the impact of topographic shading is highly variable throughout HMA, the magnitude of influence can often be predicted based on simple characteristics such as latitude, valley aspect, and orientation of the immediate surrounding topography. We also explore the uncertainty in topographic shading and in calculated surface energy due to the spatial resolution and accuracy of DEMs. In particular, we compare the shading and energy balance results utilizing a suite of DEMs, including 2 m, 8 m, and 30 m World View DEMs, 30 m ASTER GDEM, 30 m SRTM DEM, and 30 m ALOS DEM. These results will help us improve glacier energy and mass balance modeling accuracy, and demonstrate limitations and uncertainties when modeling changes in surface energy fluxes due to surrounding topography for mountain glaciers.

  11. Net energy analysis of different electricity generation systems

    International Nuclear Information System (INIS)

    1994-07-01

    This document is a report on the net energy analysis of nuclear power and other electricity generation systems. The main objectives of this document are: To provide a comprehensive review of the state of knowledge on net energy analysis of nuclear and other energy systems for electricity generation; to address traditional questions such as whether nuclear power is a net energy producer or not. In addition, the work in progress on a renewed application of the net energy analysis method to environmental issues is also discussed. It is expected that this work could contribute to the overall comparative assessment of different energy systems which is an ongoing activity at the IAEA. 167 refs, 9 figs, 5 tabs

  12. Surface Hardness of Resin Cement Polymerized under Different Ceramic Materials

    OpenAIRE

    Kesrak, Pimmada; Leevailoj, Chalermpol

    2012-01-01

    Objectives. To evaluate the surface hardness of two light-cured resin cements polymerized under different ceramic discs. Methods. 40 experimental groups of 2 light-cured resin cement specimens (Variolink Veneer and NX3) were prepared and polymerized under 5 different ceramic discs (IPS e.max Press HT, LT, MO, HO, and Cercon) of 4 thicknesses (0.5, 1.0, 1.5, and 2.0 mm), Those directly activated of both resin cements were used as control. After light activation and 3 7 ∘ C storage in an incuba...

  13. Evaluation of Cellulosic Fabrics Surface Characteristics after Different Treatments

    Directory of Open Access Journals (Sweden)

    Vitalija MASTEIKAITĖ

    2014-09-01

    Full Text Available Various clothes treatments during their manufacture and wear change the fabrics physical and surface characteristics. The different testing methods for fabrics quality evaluation are used in this research. The aim of this work is to examine the effect of enzyme treatment, laundering and abrasion on the appearance of different cellulosic fabrics. Six cotton and cotton blend woven fabrics used for faded garments production were chosen for this examination. Treatments such, as enzyme wash, domestic laundering, abrasion using IT-2 and Martindale (Mesdan instruments and rubbing were applied in order to evaluate the worn look of the different fabrics. The degree of fabrics distortion was determined by using abrasion resistance and weight change characteristics. Also, the colour fastness and staining after different dry and wet treatments were analysed. The results of this research show that the surface characteristics of cellulosic fabrics depend on the properties of the fabrics and the type of treatment. Most of the tested cellulosic fabrics have changed their difference in colour not only after the enzyme wash but also after successive abrading and cyclical domestic launderings. Both colour fading of the fabrics and staining of cotton white fabric may appear after rubbing in dry and especially in wet conditions. The received results show that during tested fabrics laundering, the cotton and nylon parts of multifibre fabric were stained more heavily. DOI: http://dx.doi.org/10.5755/j01.ms.20.3.4331

  14. 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

  15. Optimal selection among different domestic energy consumption patterns based on energy and exergy analysis

    International Nuclear Information System (INIS)

    Lu, S.; Wu, J.Y.

    2010-01-01

    In China market, people have many choices for air conditioning of their apartments, including heat-pump systems or gas-fired boilers for heating and air conditioners for cooling. Domestic hot water is usually provided by domestic water heaters making use of electricity or natural gas, which are known for their great energy costs. These systems consume much energy and increase the total cost of required domestic energy. A novel system combining heat pump with water heater is proposed in this paper, and it is named domestic energy system. The system can realize the provision of space heating, cooling and domestic hot water throughout a year. Based on different types of air conditioners, space heating equipments and water heaters, domestic energy consumption patterns are concluded to be eight categories. This study describes and compares the eight domestic energy consumption patterns by economic analysis and prime energy analysis method. Results show that the domestic energy system can provide good economy and save energy significantly. Furthermore, exergy analysis method is employed to compare the exergy efficiencies of different energy consumption systems. The results show that the domestic energy system has the highest energy conversion efficiency and can make remarkable contribution to social energy saving.

  16. Computing conformational free energy differences in explicit solvent: An efficient thermodynamic cycle using an auxiliary potential and a free energy functional constructed from the end points.

    Science.gov (United States)

    Harris, Robert C; Deng, Nanjie; Levy, Ronald M; Ishizuka, Ryosuke; Matubayasi, Nobuyuki

    2017-06-05

    Many biomolecules undergo conformational changes associated with allostery or ligand binding. Observing these changes in computer simulations is difficult if their timescales are long. These calculations can be accelerated by observing the transition on an auxiliary free energy surface with a simpler Hamiltonian and connecting this free energy surface to the target free energy surface with free energy calculations. Here, we show that the free energy legs of the cycle can be replaced with energy representation (ER) density functional approximations. We compute: (1) The conformational free energy changes for alanine dipeptide transitioning from the right-handed free energy basin to the left-handed basin and (2) the free energy difference between the open and closed conformations of β-cyclodextrin, a "host" molecule that serves as a model for molecular recognition in host-guest binding. β-cyclodextrin contains 147 atoms compared to 22 atoms for alanine dipeptide, making β-cyclodextrin a large molecule for which to compute solvation free energies by free energy perturbation or integration methods and the largest system for which the ER method has been compared to exact free energy methods. The ER method replaced the 28 simulations to compute each coupling free energy with two endpoint simulations, reducing the computational time for the alanine dipeptide calculation by about 70% and for the β-cyclodextrin by > 95%. The method works even when the distribution of conformations on the auxiliary free energy surface differs substantially from that on the target free energy surface, although some degree of overlap between the two surfaces is required. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  17. Cell surface differences of Naegleria fowleri and Naegleria lovaniensis exposed with surface markers.

    Science.gov (United States)

    González-Robles, Arturo; Castañón, Guadalupe; Cristóbal-Ramos, Ana Ruth; Hernández-Ramírez, Verónica Ivonne; Omaña-Molina, Maritza; Martínez-Palomo, Adolfo

    2007-12-01

    Differences in the distribution of diverse cell surface coat markers were found between Naegleria fowleri and Naegleria lovaniensis. The presence of carbohydrate-containing components in the cell coat of the two species was detected by selective staining with ruthenium red and alcian blue. Using both markers, N. fowleri presented a thicker deposit than N. lovaniensis. The existence of exposed mannose or glucose residues was revealed by discriminatory agglutination with the plant lectin Concanavalin A. These sugar residues were also visualized at the cell surface of these parasites either by transmission electron microscopy or by fluorescein-tagged Concanavalin A. Using this lectin cap formation was induced only in N. fowleri. The anionic sites on the cell surface detected by means of cationized ferritin were more apparent in N. fowleri. Biotinylation assays confirmed that even though the two amoebae species have some analogous plasma membrane proteins, there is a clear difference in their composition.

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

    Science.gov (United States)

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

    2017-04-20

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

  19. 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.

  20. 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

  1. Energy Efficiency of Biogas Produced from Different Biomass Sources

    International Nuclear Information System (INIS)

    Begum, Shahida; Nazri, A H

    2013-01-01

    Malaysia has different sources of biomass like palm oil waste, agricultural waste, cow dung, sewage waste and landfill sites, which can be used to produce biogas and as a source of energy. Depending on the type of biomass, the biogas produced can have different calorific value. At the same time the energy, being used to produce biogas is dependent on transportation distance, means of transportation, conversion techniques and for handling of raw materials and digested residues. An energy systems analysis approach based on literature is applied to calculate the energy efficiency of biogas produced from biomass. Basically, the methodology is comprised of collecting data, proposing locations and estimating the energy input needed to produce biogas and output obtained from the generated biogas. The study showed that palm oil and municipal solid waste is two potential sources of biomass. The energy efficiency of biogas produced from palm oil residues and municipal solid wastes is 1.70 and 3.33 respectively. Municipal solid wastes have the higher energy efficiency due to less transportation distance and electricity consumption. Despite the inherent uncertainties in the calculations, it can be concluded that the energy potential to use biomass for biogas production is a promising alternative.

  2. 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...

  3. 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

  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. Electronic structure of graphene on Ni surfaces with different orientation

    International Nuclear Information System (INIS)

    Pudikov, D.A.; Zhizhin, E.V.; Rybkin, A.G.; Rybkina, A.A.; Zhukov, Y.M.; Vilkov, O. Yu.; Shikin, A.M.

    2016-01-01

    An experimental study of the graphene, synthesized by propylene cracking on Ni surfaces with different orientation: (100) and (111), using angle-resolved photoemission, has been performed. It has been shown that graphene on Ni(111) had a perfect lateral structure due to consistency of their lattices, whereas graphene/Ni(100) consisted of a lot of domains. For both systems electronic structure was quite similar and demonstrated a strong bonding of graphene to the underlying Ni surface. After Au intercalation the electronic structure of graphene in both systems was shifted to the Fermi level and became linear in the vicinity of the K point of the Brillouin zone. - Highlights: • Graphene on Ni(111) is well-ordered, whereas on Ni(100) – multi-domain. • Graphene on Ni(111) and Ni(100) is strongly bonded with substrate. • Intercalation of Au atoms restores the linearity in dispersion and makes graphene quasi-free on both Ni(100) and Ni(111).

  6. Comparison of the effectiveness of different antimicrobial surface technologies

    Directory of Open Access Journals (Sweden)

    Buhl Sebastian

    2017-09-01

    Full Text Available The risk of infection via microbiologically contaminated surfaces has already been demonstrated by other publications. In this work two different antibacterial surface technologies transition metalloacids (AMiSTec and TiO2/AgNO3 (Health Complete were compared regarding feasibility as well as their advantages and disadvantages. The examination of the antimicrobial activity was assessed according to the JIS Z 2801. We could demonstrate that all of our tested samples showed a strong antimicrobial activity (>log 3 germ reduction in the JIS experiments. Furthermore this strong antibacterial effect could be shown already after <30min incubation and at low light intensity (approx. 300 Lux for the TiO2/AgNO3 samples. Both technologies provide a high potential for an improved infection control for example in a high risk environment like operation rooms or intensive care units.

  7. Characterization of the damage produced on different materials surfaces

    International Nuclear Information System (INIS)

    Dellavale Clara, Hector Damian

    2004-01-01

    In the present work the characterization techniques of surfaces ULOI and RIMAPS have been applied on laboratory samples made from aluminium, stainless steel and material based on fiberglass.The resultant surfaces of, chemical etching with corrosive agents Keller and Tucker, mechanic damage from the wear and tear of abrasive paper and sandrubbing with alumina particles, are analyzed to different level of damage.The systematic application of the above mentioned techniques is carried out with the objective of finding information, which allows to characterize the superficial damage, both in its incipient state as in the extreme situation revealed by the presence of etch pits. Important results have been obtained, in the characterization of the incipient stage of the chemical etching, using the curves of the normalized area.In addition, it was possible to verify the capacity of the techniques in the early detection of the preferential directions generated by the etch pits

  8. Surface Modification of MXenes: A Pathway to Improve MXene Electrode Performance in Electrochemical Energy Storage Devices

    KAUST Repository

    Ahmed, Bilal

    2017-12-31

    The recent discovery of layered transition metal carbides (MXenes) is one of the most important developments in two-dimensional (2D) materials. Preliminary theoretical and experimental studies suggest a wide range of potential applications for MXenes. The MXenes are prepared by chemically etching ‘A’-layer element from layered ternary metal carbides, nitrides and carbonitrides (MAX phases) through aqueous acid treatment, which results in various surface terminations such as hydroxyl, oxygen or fluorine. It has been found that surface terminations play a critical role in defining MXene properties and affects MXene performance in different applications such as electrochemical energy storage, electromagnetic interference shielding, water purification, sensors and catalysis. Also, the electronic, thermoelectric, structural, plasmonic and optical properties of MXenes largely depend upon surface terminations. Thus, controlling the surface chemistry if MXenes can be an efficient way to improve their properties. This research mainly aims to perform surface modifications of two commonly studied MXenes; Ti2C and Ti3C2, via chemical, thermal or physical processes to enhance electrochemical energy storage properties. The as-prepared and surface modified MXenes have been studied as electrode materials in Li-ion batteries (LIBs) and supercapacitors (SCs). In pursuit of desirable MXene surface, we have developed an in-situ room temperature oxidation process, which resulted in TiO2/MXene nanocomposite and enhanced Li-ion storage. The idea of making metal oxide and MXene nanocomposites was taken to the next level by combining a high capacity anode materials – SnO2 – and MXene. By taking advantage of already existing surface functional groups (–OH), we have developed a composite of SnO2/MXene by atomic layer deposition (ALD) which showed enhanced capacity and excellent cyclic stability. Thermal annealing of MXene at elevated temperature under different atmospheres was

  9. Early interactions between leukocytes and three different potentially bioactive titanium surface modifications.

    Science.gov (United States)

    Arvidsson, Anna; Malmberg, Per; Kjellin, Per; Currie, Fredrik; Arvidsson, Martin; Franke Stenport, Victoria

    2011-05-01

    The aim of the present study was to compare the early interactions between leukocytes and three different surface modifications, suggested as bioactive. Blasted titanium discs were modified by alkali and heat treatment, sodium fluoride treatment, or hydroxyapatite coating. A number of these discs were also immersed in simulated body fluid (SBF) for a week, a treatment which yielded high levels of calcium and phosphate on each surface type. The specimens were exposed for human venous blood for 32 minutes and the respiratory burst response was measured in terms of reactive oxygen species with a luminometer, and coverage of viable cells with a fluorescence microscope after staining steps. The topography, morphology, and chemistry of the surfaces were evaluated with optical interferometry and scanning electron microscopy/energy dispersive X-ray analysis (SEM/EDX). A high respiratory burst response was found for HA coated titanium in comparison with the other surface groups (p burst response (p < 0.0005) and removed statistically significant differences between the surface groups. Thus, the results in the present study indicate that different titanium surface modifications influence the early inflammatory response differently, and that calcium phosphate compounds increase the inflammatory response. Copyright © 2011 Wiley Periodicals, Inc.

  10. Cascaded exciton energy transfer in a monolayer semiconductor lateral heterostructure assisted by surface plasmon polariton.

    Science.gov (United States)

    Shi, Jinwei; Lin, Meng-Hsien; Chen, I-Tung; Mohammadi Estakhri, Nasim; Zhang, Xin-Quan; Wang, Yanrong; Chen, Hung-Ying; Chen, Chun-An; Shih, Chih-Kang; Alù, Andrea; Li, Xiaoqin; Lee, Yi-Hsien; Gwo, Shangjr

    2017-06-26

    Atomically thin lateral heterostructures based on transition metal dichalcogenides have recently been demonstrated. In monolayer transition metal dichalcogenides, exciton energy transfer is typically limited to a short range (~1 μm), and additional losses may be incurred at the interfacial regions of a lateral heterostructure. To overcome these challenges, here we experimentally implement a planar metal-oxide-semiconductor structure by placing a WS 2 /MoS 2 monolayer heterostructure on top of an Al 2 O 3 -capped Ag single-crystalline plate. We find that the exciton energy transfer range can be extended to tens of microns in the hybrid structure mediated by an exciton-surface plasmon polariton-exciton conversion mechanism, allowing cascaded exciton energy transfer from one transition metal dichalcogenides region supporting high-energy exciton resonance to a different transition metal dichalcogenides region in the lateral heterostructure with low-energy exciton resonance. The realized planar hybrid structure combines two-dimensional light-emitting materials with planar plasmonic waveguides and offers great potential for developing integrated photonic and plasmonic devices.Exciton energy transfer in monolayer transition metal dichalcogenides is limited to short distances. Here, Shi et al. fabricate a planar metal-oxide-semiconductor structure and show that exciton energy transfer can be extended to tens of microns, mediated by an exciton-surface-plasmon-polariton-exciton conversion mechanism.

  11. A review of different strategies for HVAC energy saving

    International Nuclear Information System (INIS)

    Vakiloroaya, Vahid; Samali, Bijan; Fakhar, Ahmad; Pishghadam, Kambiz

    2014-01-01

    Highlights: • Various strategies for HVAC energy saving are described and reviewed. • The influence of each strategy on the HVAC energy saving is investigated. • Combination of existing air conditioning technologies appears to be effective for the energy conservation and comfort. • A comparison study between these approaches is carried out. • Changing the HVAC configuration has the potential to increase or reduce energy savings, depending on several factors. - Abstract: Decreasing the energy consumption of heating, ventilation and air conditioning (HVAC) systems is becoming increasingly important due to rising cost of fossil fuels and environmental concerns. Therefore, finding novel ways to reduce energy consumption in buildings without compromising comfort and indoor air quality is an ongoing research challenge. One proven way of achieving energy efficiency in HVAC systems is to design systems that use novel configurations of existing system components. Each HVAC discipline has specific design requirements and each presents opportunities for energy savings. Energy efficient HVAC systems can be created by re-configuring traditional systems to make more strategic use of existing system parts. Recent research has demonstrated that a combination of existing air conditioning technologies can offer effective solutions for energy conservation and thermal comfort. This paper investigates and reviews the different technologies and approaches, and demonstrates their ability to improve the performance of HVAC systems in order to reduce energy consumption. For each strategy, a brief description is first presented and then by reviewing the previous studies, the influence of that method on the HVAC energy saving is investigated. Finally, a comparison study between these approaches is carried out

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

    Science.gov (United States)

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

    2017-06-01

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

  13. 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

  14. 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.

  15. 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.

  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. DIFFERENCES IN BIOMECHANICAL PROPERTIES OF KNEE EXTENSOR REBOUND WITH THE DIFFERENT SURFACE ELASTICITY

    Directory of Open Access Journals (Sweden)

    Katarina Herodek

    2013-07-01

    Full Text Available The sample includes 40 subjects of both sexes: male (20 and female (20 population of students of the Faculty of Sport and Physical Education, University of Nis. The research involves the application of the rebound in gymnastics with two different heights (40 and 50cm on three different surfaces of elasticity: hard, demyelastic and elastic surface. The subject of the research were the dynamic parameters of movement laid down from Drop Jump (DJ with Myotest device and in the following parameters: height (in cm, power (in W/ kg, force (in N/ kg and speed (cm/ s. Using canonical-discrimination analysis showed no statistically significant differences in the performance jump of hard and demyelastic surface from a height 40 cm and 50 cm for men and women, thethe studied parameters (height, strength ,power and speed of the bounce . Revealed a statistically significant difference in performance with the elastic rebound surface elevations of 40 cm and 50 cm for men and women (p = 0.00. Of the examined parameters was obtained that there are significant differences in the Force reflection to the significance level of 98% (0.0255 and the power of reflection on the significance level of 100% (0.0009 in men. In women of the examined parameters was obtained a statistically significant difference in the strength of the rebound only from positions of 40cm and 50cm and 100% (0.0075.

  18. Specific grinding energy and surface roughness of nanoparticle jet minimum quantity lubrication in grinding

    Directory of Open Access Journals (Sweden)

    Zhang Dongkun

    2015-04-01

    Full Text Available Nanoparticles with the anti-wear and friction reducing features were applied as cooling lubricant in the grinding fluid. Dry grinding, flood grinding, minimal quantity of lubrication (MQL, and nanoparticle jet MQL were used in the grinding experiments. The specific grinding energy of dry grinding, flood grinding and MQL were 84, 29.8, 45.5 J/mm3, respectively. The specific grinding energy significantly decreased to 32.7 J/mm3 in nanoparticle MQL. Compared with dry grinding, the surface roughness values of flood grinding, MQL, and nanoparticle jet MQL were significantly reduced with the surface topography profile values reduced by 11%, 2.5%, and 10%, respectively, and the ten point height of microcosmic unflatness values reduced by 1.5%, 0.5%, and 1.3%, respectively. These results verified the satisfactory lubrication effects of nanoparticle MQL. MoS2, carbon nanotube (CNT, and ZrO2 nanoparticles were also added in the grinding fluid of nanoparticle jet MQL to analyze their grinding surface lubrication effects. The specific grinding energy of MoS2 nanoparticle was only 32.7 J/mm3, which was 8.22% and 10.39% lower than those of the other two nanoparticles. Moreover, the surface roughness of workpiece was also smaller with MoS2 nanoparticle, which indicated its remarkable lubrication effects. Furthermore, the role of MoS2 particles in the grinding surface lubrication at different nanoparticle volume concentrations was analyzed. MoS2 volume concentrations of 1%, 2%, and 3% were used. Experimental results revealed that the specific grinding energy and the workpiece surface roughness initially increased and then decreased as MoS2 nanoparticle volume concentration increased. Satisfactory grinding surface lubrication effects were obtained with 2% MoS2 nanoparticle volume concentration.

  19. Sex differences of human cortical blood flow and energy metabolism

    DEFF Research Database (Denmark)

    Aanerud, Joel; Borghammer, Per; Rodell, Anders

    2017-01-01

    Brain energy metabolism is held to reflect energy demanding processes in neuropil related to the density and activity of synapses. There is recent evidence that men have higher density of synapses in temporal cortex than women. One consequence of these differences would be different rates...... cerebral blood flow and cerebral metabolic rate of oxygen as functions of age in healthy volunteers of both sexes. Cerebral metabolic rate of oxygen did not change with age for either sex and there were no differences of mean values of cerebral metabolic rate of oxygen between men and women in cerebral...

  20. Effect of dietary dilution of energy and nutrients during different ...

    African Journals Online (AJOL)

    A completely randomized design was conducted to evaluate the effect of dietary dilution of energy and nutrients during different growing periods on compensatory growth of Ross broilers. Four replicant pens were assigned per seven treatments. Chicks in each treatment received concentrated and diluted diets in different ...

  1. Connecting free energy surfaces in implicit and explicit solvent: an efficient method to compute conformational and solvation free energies.

    Science.gov (United States)

    Deng, Nanjie; Zhang, Bin W; Levy, Ronald M

    2015-06-09

    The ability to accurately model solvent effects on free energy surfaces is important for understanding many biophysical processes including protein folding and misfolding, allosteric transitions, and protein–ligand binding. Although all-atom simulations in explicit solvent can provide an accurate model for biomolecules in solution, explicit solvent simulations are hampered by the slow equilibration on rugged landscapes containing multiple basins separated by barriers. In many cases, implicit solvent models can be used to significantly speed up the conformational sampling; however, implicit solvent simulations do not fully capture the effects of a molecular solvent, and this can lead to loss of accuracy in the estimated free energies. Here we introduce a new approach to compute free energy changes in which the molecular details of explicit solvent simulations are retained while also taking advantage of the speed of the implicit solvent simulations. In this approach, the slow equilibration in explicit solvent, due to the long waiting times before barrier crossing, is avoided by using a thermodynamic cycle which connects the free energy basins in implicit solvent and explicit solvent using a localized decoupling scheme. We test this method by computing conformational free energy differences and solvation free energies of the model system alanine dipeptide in water. The free energy changes between basins in explicit solvent calculated using fully explicit solvent paths agree with the corresponding free energy differences obtained using the implicit/explicit thermodynamic cycle to within 0.3 kcal/mol out of ∼3 kcal/mol at only ∼8% of the computational cost. We note that WHAM methods can be used to further improve the efficiency and accuracy of the implicit/explicit thermodynamic cycle.

  2. Surface roughness and the flexural and bend strength of zirconia after different surface treatments.

    Science.gov (United States)

    Hjerppe, Jenni; Närhi, Timo O; Vallittu, Pekka K; Lassila, Lippo V J

    2016-10-01

    Different surface treatments are commonly used during the fabrication of zirconia fixed dental prostheses. However, such treatments can affect the properties of the zirconia framework material. The purpose of this in vitro study was to determine the effect of different surface treatments on the surface roughness and flexural and bend strength of zirconia. Seventy-two zirconia disks (n=8) and 72 zirconia bars (n=8) were sintered and divided into 9 groups for different surface treatments: sintered control, airborne-particle abraded with 50-μm aluminum oxide, airborne-particle abraded with Rocatec soft (30 μm), airborne-particle abraded with Rocatec (105 μm), grinding dry with a micromotor, turbine grinding under water cooling, grinding with silicon carbide paper, diamond paste polishing, and steam cleaning. The biaxial flexural strength of the disks (diameter 19 mm, thickness 1.6 mm) and 3-point bend test of the bars (thickness 2 mm, height 2 mm, length 25 mm) were measured dry at room temperature. One-way ANOVA followed by the Tukey HSD test (α=.05) and Pearson correlation test were used for statistical analysis. Airborne-particle abrasion and silicon carbide paper grinding increased the flexural and bend strength of zirconia specimens (Pzirconia framework material. Copyright © 2016 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

  3. Robust superhydrophobic silicon without a low surface-energy hydrophobic coating.

    Science.gov (United States)

    Hoshian, Sasha; Jokinen, Ville; Somerkivi, Villeseveri; Lokanathan, Arcot R; Franssila, Sami

    2015-01-14

    Superhydrophobic surfaces without low surface-energy (hydrophobic) modification such as silanization or (fluoro)polymer coatings are crucial for water-repellent applications that need to survive under harsh UV or IR exposures and mechanical abrasion. In this work, robust low-hysteresis superhydrophobic surfaces are demonstrated using a novel hierarchical silicon structure without a low surface-energy coating. The proposed geometry produces superhydrophobicity out of silicon that is naturally hydrophilic. The structure is composed of collapsed silicon nanowires on top and bottom of T-shaped micropillars. Collapsed silicon nanowires cause superhydrophobicity due to nanoscale air pockets trapped below them. T-shaped micropillars significantly decrease the water contact angle hysteresis because microscale air pockets are trapped between them and can not easily escape. Robustness is studied under mechanical polishing, high-energy photoexposure, high temperature, high-pressure water shower, and different acidic and solvent environments. Mechanical abrasion damages the nanowires on top of micropillars, but those at the bottom survive. Small increase of hysteresis is seen, but the surface is still superhydrophobic after abrasion.

  4. Energy-separated sequential irradiation for ripple pattern tailoring on silicon surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Tanuj [Department of Physics, Central University of Haryana, Jant-Pali, Mahendergarh 1123029 (India); Inter University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110067 (India); Kumar, Manish, E-mail: manishbharadwaj@gmail.com [Department of Physics, Central University of Rajasthan, Kishangarh 305801 (India); Panchal, Vandana [Department of Physics, National Institute of Technology, Kurukshetra 136119 (India); Sahoo, P.K. [School of Physical Sciences, National Institute of Science Education and Research, Bhubaneswar 751005 (India); Kanjilal, D. [Inter University Accelerator Centre, Aruna Asaf Ali Marg, New Delhi 110067 (India)

    2015-12-01

    Highlights: • A new process for controlling the near-surface amorphization of ripples on Si surfaces. • Ripples generation by 100 KeV Ar{sup +} and amorphization control by 60 KeV Ar{sup +} irradiation. • Advantage of energy-separated irradiation demonstrated by detailed RBS and AFM studies. • Relevant mechanism is presented on the basis of DAMAGE and SIMNRA simulations. • Key role of solid flow towards the amorphous/crystalline interface is demonstrated. - Abstract: Nanoscale ripples on semiconductor surfaces have potential application in biosensing and optoelectronics, but suffer from uncontrolled surface-amorphization when prepared by conventional ion-irradiation methods. A two-step, energy-separated sequential-irradiation enables simultaneous control of surface-amorphization and ripple-dimensions on Si(1 0 0). The evolution of ripples using 100 keV Ar{sup +} bombardment and further tuning of the patterns using a sequential-irradiation by 60 keV Ar{sup +} at different fluences are demonstrated. The advantage of this approach as opposed to increased fluence at the same energy is clarified by atomic force microscopy and Rutherford backscattering spectroscopy investigations. The explanation of our findings is presented through DAMAGE simulation.

  5. Comparison of energy consumption and specific energy requirements of different methods for drying mushroom slices

    International Nuclear Information System (INIS)

    Motevali, Ali; Minaei, Saeid; Khoshtaghaza, Mohammad Hadi; Amirnejat, Hamed

    2011-01-01

    Energy consumption for drying of mushroom slices was evaluated using various drying methods including hot air, microwave, vacuum, infrared, microwave-vacuum and hot air-infrared. Results of data analysis showed that the lowest and highest energy consumption levels in drying mushroom slices were associated with microwave and vacuum dryers, respectively. The use of vacuum in conjunction with microwave drying increased energy consumption relative to microwave drying alone. Energy consumption in the hot air dryer showed a downward trend with increasing temperature and an upward trend with increasing air velocity. In drying mushroom using infrared radiation, it was observed that increased air velocity increases drying time and consequently the amount of consumed energy. Using a combination of hot air and infrared drying decreased energy consumption relative to infrared drying alone and increased it relative to hot air drying. In the combined microwave-vacuum dryer, drying time and consequently energy consumption decreased in comparison to the vacuum dryer. Hot air-infrared drying of mushroom slices proved to have the lowest energy consumption. -- Highlights: ► In this study we comparing the amount of energy used and specific energy consumption in different drying methods. ► Six drying methods including Hot air, Infrared, Hot air-infrared, Microwave, Vacuum and microwave-vacuum were used. ► The maximum and minimum energy consumption was obtained in vacuum and microwave dryer, respectively. ► The best drying method in terms of energy consumption and specific energy consumption is the microwave dryer.

  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. Effects of surface hydrophobicity on the conformational changes of polypeptides of different length.

    Science.gov (United States)

    Mu, Yan

    2011-09-01

    We studied the effects of surface hydrophobicity on the conformational changes of different length polypeptides by calculating the free energy difference between peptide structures using the bias-potential Monte Carlo technique and the probability ratio method. It was found that the hydrophobic surface plays an important role in the stability of secondary structures of the polypeptides with hydrophobic side chains. For short GAAAAG peptides, the hydrophobic surface destabilizes the α helix but stabilizes the β hairpin in the entire temperature region considered in our study. Interestingly, when the surface hydrophobic strength ε(hpsf)≥ε(hp), the most stable structure in the low temperature region changes from α helix to β hairpin, and the corresponding phase transition temperature increases slightly. For longer GAAAAAAAAAAG peptides, the effects of the relatively weak hydrophobic surface (ε(hpsf) ε(hp)) may further disturb the formation of both α-helical and β structures. Moreover, the phase transition temperature between α-helical structures and random coils significantly decreases due to the helicity loss when ε(hpsf)>ε(hp). Our findings provide a basic and quantitative picture for understanding the effects of a hydrophobic surface on the conformational changes of the polypeptides with hydrophobic side chains. From an application viewpoint, the present study is helpful in developing alternative strategies of producing high-quality biological fibrillar materials and functional nanoscale devices by the self-assembly of the polypeptides on hydrophobic surfaces.

  8. Inter-comparison of energy balance and hydrological models for land surface energy flux estimation over a whole river catchment

    DEFF Research Database (Denmark)

    Guzinski, R.; Nieto, H.; Stisen, S.

    2015-01-01

    , distributed hydrological model, while the energy-balance approach is often used with remotely sensed observations of, for example, the land surface temperature (LST) and the state of the vegetation. In this study we compare the catchment-scale output of two remote sensing models based on the two-source energy......-balance (TSEB) scheme, against a hydrological model, MIKE SHE, calibrated over the Skjern river catchment in western Denmark. The three models utilize different primary inputs to estimate ET (LST from different satellites in the case of remote sensing models and modelled soil moisture and heat flux in the case....... The temporal patterns produced by the remote sensing and hydrological models are quite highly correlated (r ≈ 0.8). This indicates potential benefits to the hydrological modelling community of integrating spatial information derived through remote sensing methodology (contained in the ET maps...

  9. Rebound effect of improved energy efficiency for different energy types: A general equilibrium analysis for China

    International Nuclear Information System (INIS)

    Lu, Yingying; Liu, Yu; Zhou, Meifang

    2017-01-01

    This paper explores the rebound effect of different energy types in China based on a static computable general equilibrium model. A one-off 5% energy efficiency improvement is imposed on five different types of energy, respectively, in all the 135 production sectors in China. The rebound effect is measured both on the production level and on the economy-wide level for each type of energy. The results show that improving energy efficiency of using electricity has the largest positive impact on GDP among the five energy types. Inter-fuel substitutability does not affect the macroeconomic results significantly, but long-run impact is usually greater than the short-run impact. For the exports-oriented sectors, those that are capital-intensive get big negative shock in the short run while those that are labour-intensive get hurt in the long run. There is no “backfire” effect; however, improving efficiency of using electricity can cause negative rebound, which implies that improving the energy efficiency of using electricity might be a good policy choice under China's current energy structure. In general, macro-level rebound is larger than production-level rebound. Primary energy goods show larger rebound effect than secondary energy goods. In addition, the paper points out that the policy makers in China should look at the rebound effect in the long term rather than in the short term. The energy efficiency policy would be a good and effective policy choice for energy conservation in China when it still has small inter-fuel substitution. - Highlights: • Primary energy goods show larger rebound effect than secondary energy goods. • Improving efficiency of using electricity can cause negative rebound. • The energy efficiency policy would be an effective policy choice for China. • Policy-makers should consider the rebound effect in the longer term.

  10. Risk of the different activities related to energy production

    International Nuclear Information System (INIS)

    Tenaglia, G.

    1983-01-01

    After recalling briefly the concept of risk and explaining the relevant terminology currently in use, the paper deals with the application of the concept of risk to the activities related to energy production. Particular emphasis is placed on the necessity of considering the entire cycle of an energy source, the different aspects that the negative consequences of an activity may entail, as well as the context, mainly territorial and socio-economical, in wich an activity is performed. Moreover the paper presents, schematically and in qualitative terms, the main risk of the different activities related to energy production. More details are given about potentially dangerous activities, nowdays emerging, like -for example- transportation and storage of flammable liquids, whether refrigerated or not. Finally, the difficulties of comparing risks having different probabilities and consequences are considered, as well as the meaning to be assigned, in any case, to comparison among riks [fr

  11. Actinides sorption onto hematite. Experimental data, surface complexation modeling and linear free energy relationship

    Energy Technology Data Exchange (ETDEWEB)

    Romanchuk, Anna Y.; Kalmykov, Stephan N. [Lomonosov Moscow State Univ., Moscow (Russian Federation). Dept. of Chemistry

    2014-07-01

    The sorption of actinides in different valence states - Am(III), Th(IV), Np(V) and U(VI) onto hematite have been revisited with the special emphasis on the equilibrium constants of formation of surface species. The experimental sorption data have been treated using surface complexation modeling from which the set of new values of equilibrium constants were obtained. Formation of inner sphere monodentate surface species adequately describes the pH-sorption edges for actinide ions indicative the ionic electrostatic nature of bonding with small or no covalency contribution. The linear free energy relationship representing the correlation between the hydrolysis constants and surface complexation constants has been developed for various cations including K(I), Li(I), Na(I), Ag(I), Tl(I), Sr(II), Cu(II), Co(II), La(III), Eu(III), Ga(III), Am(III), Th(IV), Np(V), U(VI). (orig.)

  12. Comparing the health and environmental hazards of different energy systems

    International Nuclear Information System (INIS)

    Hamilton, L.D.

    1982-01-01

    Energy and environment can pose difficult challenges for policy makers and scientists. Assessing health impacts of different energy sources requires synthesis of research results from many different disciplines into a rational framework. Information is often scanty; qualitatively different risks, or energy systems with quite different end uses, must be put on a common footing. Risk-assessment methods reviewed include examples drawn from work of the Biomedical and Environmental Assessment Division at Brookhaven National Laboratory and elsewhere. Coal and nuclear fuel cycles are compared in respect to morbidity and mortality. Other cycles (oil, gas and renewables) are also examined. In broadening comparisons to include new technologies, one must include the impact of manufacturing the energy-producing devices as part of an expanded fuel cycle, via input-output methods. Input-output analysis allows comparisons of direct and system-wide impacts. Throughout the analysis, uncertainties must be explicitly recognized in the results, including uncertainty in validity of data and uncertainty in choice of appropriate models. No single method of comparative risk assessment is fully satisfactory; each has its limitations. By use of several methods progress has been made in understanding the relative impact of energy technologies

  13. Comparing the health and environmental hazards of different energy systems

    Energy Technology Data Exchange (ETDEWEB)

    Hamilton, L.D.

    1982-01-01

    Energy and environment can pose difficult challenges for policy makers and scientists. Assessing health impacts of different energy sources requires synthesis of research results from many different disciplines into a rational framework. Information is often scanty; qualitatively different risks, or energy systems with quite different end uses, must be put on a common footing. Risk-assessment methods reviewed include examples drawn from work of the Biomedical and Environmental Assessment Division at Brookhaven National Laboratory and elsewhere. Coal and nuclear fuel cycles are compared in respect to morbidity and mortality. Other cycles (oil, gas and renewables) are also examined. In broadening comparisons to include new technologies, one must include the impact of manufacturing the energy-producing devices as part of an expanded fuel cycle, via input-output methods. Input-output analysis allows comparisons of direct and system-wide impacts. Throughout the analysis, uncertainties must be explicitly recognized in the results, including uncertainty in validity of data and uncertainty in choice of appropriate models. No single method of comparative risk assessment is fully satisfactory; each has its limitations. By use of several methods progress has been made in understanding the relative impact of energy technologies.

  14. Comparing the health impacts of different energy sources

    International Nuclear Information System (INIS)

    Hamilton, L.D.

    1982-01-01

    Assessing health impacts of different energy sources requires synthesis of research results from many different disciplines into a rational framework. Information is often scanty; qualitatively different risks, or energy systems with substantially different end uses, must be put on a common footing. Historically institutional constraints have inhibited agencies from making incisive intercomparisons necessary for formulating energy policy; this has exacerbated public controversy over appropriate energy sources. Risk assessment methods reviewed include examples drawn from work of the Biomedical and Environmental Assessment Division at Brookhaven National Laboratory and elsewhere. Uncertainty over the mechanism and size of air pollution health damage is addressed through a probabilistic health-damage function, using sulphate-particle exposure as an indicator. This facilitates intercomparison through analysis of each step in the whole fuel cycle between a typical coal and nuclear power plant. Occupational health impacts, a significant fraction of overall damage, are illustrated by accident trends in coal-mining. In broadening comparisons to include new technologies, one must include the impact of manufacturing the energy-producing device as part of an expanded fuel cycle, via input/output methods. Throughout the analysis, uncertainties must be made explicit in the results, including uncertainty of data and uncertainty in choice of appropriate models and methods. No single method of comparative risk assessment is fully satisfactory; each has its limitations. Several methods must be compared if decision-making is to be realistic. (author)

  15. Foraging on the potential energy surface: a swarm intelligence-based optimizer for molecular geometry.

    Science.gov (United States)

    Wehmeyer, Christoph; Falk von Rudorff, Guido; Wolf, Sebastian; Kabbe, Gabriel; Schärf, Daniel; Kühne, Thomas D; Sebastiani, Daniel

    2012-11-21

    We present a stochastic, swarm intelligence-based optimization algorithm for the prediction of global minima on potential energy surfaces of molecular cluster structures. Our optimization approach is a modification of the artificial bee colony (ABC) algorithm which is inspired by the foraging behavior of honey bees. We apply our modified ABC algorithm to the problem of global geometry optimization of molecular cluster structures and show its performance for clusters with 2-57 particles and different interatomic interaction potentials.

  16. Comparision between different metal oxide nanostructures and nanocomposites for sensing, energy generation, and energy harvesting

    Science.gov (United States)

    Willander, Magnus; Alnoor, Hatim; Elhag, Sami; Ibupoto, Zafar Hussain; Nour, Eiman Satti; Nur, Omer

    2016-02-01

    Highlights from research on different nanocomposites and nanostructures for sensing and other energy related applications will be presented. The synthesized nanostructures and nanocomposites presented here were all obtained using the low temperature (textile and paper. We here present results from different metal oxide nanostructures employed for chemical sensing and some innovative energy related applications. Efficient sensitive and selective sensing of dopamine, melamine, and glucose are presented as some examples of self-powered sensors utilizing the electrochemical phenomenon i.e. transferring chemical energy into electrical signal. Further the use of nanomaterials for developing selfpowered devices utilizing mechanical ambient energy is presented via piezoelectric and triboelectric effects. Here the self-powered devices and systems were relying on utilizing the electormechanical phenomenon i.e. transferring ambient mechanical energy into useful electrical energy. Finally the visibility of nanomaterials prepared by the low temperature chemical synthesis as possible low cost replacement of Pt electrodes for hydrogen production is briefly presented and discussed.

  17. Monte Carlo method for determining free-energy differences and transition state theory rate constants

    International Nuclear Information System (INIS)

    Voter, A.F.

    1985-01-01

    We present a new Monte Carlo procedure for determining the Helmholtz free-energy difference between two systems that are separated in configuration space. Unlike most standard approaches, no integration over intermediate potentials is required. A Metropolis walk is performed for each system, and the average Metropolis acceptance probability for a hypothetical step along a probe vector into the other system is accumulated. Either classical or quantum free energies may be computed, and the procedure is also ideally suited for evaluating generalized transition state theory rate constants. As an application we determine the relative free energies of three configurations of a tungsten dimer on the W(110) surface

  18. Fast exploration of an optimal path on the multidimensional free energy surface.

    Science.gov (United States)

    Chen, Changjun

    2017-01-01

    In a reaction, determination of an optimal path with a high reaction rate (or a low free energy barrier) is important for the study of the reaction mechanism. This is a complicated problem that involves lots of degrees of freedom. For simple models, one can build an initial path in the collective variable space by the interpolation method first and then update the whole path constantly in the optimization. However, such interpolation method could be risky in the high dimensional space for large molecules. On the path, steric clashes between neighboring atoms could cause extremely high energy barriers and thus fail the optimization. Moreover, performing simulations for all the snapshots on the path is also time-consuming. In this paper, we build and optimize the path by a growing method on the free energy surface. The method grows a path from the reactant and extends its length in the collective variable space step by step. The growing direction is determined by both the free energy gradient at the end of the path and the direction vector pointing at the product. With fewer snapshots on the path, this strategy can let the path avoid the high energy states in the growing process and save the precious simulation time at each iteration step. Applications show that the presented method is efficient enough to produce optimal paths on either the two-dimensional or the twelve-dimensional free energy surfaces of different small molecules.

  19. The ground surface energy balance in modelling horizontal ground heat exchangers

    Science.gov (United States)

    Bortoloni, M.; Bottarelli, M.; Su, Y.

    2017-01-01

    The performance of horizontal ground heat exchangers (HGHEs) is strongly dependent on climatic conditions, due to the low installation depth. In numerical modelling of HGHEs, the estimation of shallow soil temperature distribution is a key issue, therefore the boundary condition (BC) at the ground surface should be assigned carefully. With this in mind, a model of the energy balance at the ground surface (GSEB), based on weather variables, was developed. The model was tested as the 3rd kind BC at ground surface in modelling HGHEs by means of the FEM code Comsol Multiphysics, solving the unsteady heat transfer problem in a 2D domain. The GSEB model was calibrated and validated with the observed soil temperature at different depths. In addition, the effect on numerical solutions of different BCs, when assigned at the ground surface, was analysed. Three different simulations were carried out applying the GSEB model, the equivalent surface heat flux and temperature as boundary conditions of the 1st, 2nd and 3rd kind, respectively. The results of this study indicate that the use of the GSEB model is a preferable approach to the problem and that the use of the equivalent surface temperature can be considered as a reasonable simplification.

  20. An intercomparison and validation of satellite-based surface radiative energy flux estimates over the Arctic

    Science.gov (United States)

    Riihelä, Aku; Key, Jeffrey R.; Meirink, Jan Fokke; Kuipers Munneke, Peter; Palo, Timo; Karlsson, Karl-Göran

    2017-05-01

    Accurate determination of radiative energy fluxes over the Arctic is of crucial importance for understanding atmosphere-surface interactions, melt and refreezing cycles of the snow and ice cover, and the role of the Arctic in the global energy budget. Satellite-based estimates can provide comprehensive spatiotemporal coverage, but the accuracy and comparability of the existing data sets must be ascertained to facilitate their use. Here we compare radiative flux estimates from Clouds and the Earth's Radiant Energy System (CERES) Synoptic 1-degree (SYN1deg)/Energy Balanced and Filled, Global Energy and Water Cycle Experiment (GEWEX) surface energy budget, and our own experimental FluxNet / Satellite Application Facility on Climate Monitoring cLoud, Albedo and RAdiation (CLARA) data against in situ observations over Arctic sea ice and the Greenland Ice Sheet during summer of 2007. In general, CERES SYN1deg flux estimates agree best with in situ measurements, although with two particular limitations: (1) over sea ice the upwelling shortwave flux in CERES SYN1deg appears to be underestimated because of an underestimated surface albedo and (2) the CERES SYN1deg upwelling longwave flux over sea ice saturates during midsummer. The Advanced Very High Resolution Radiometer-based GEWEX and FluxNet-CLARA flux estimates generally show a larger range in retrieval errors relative to CERES, with contrasting tendencies relative to each other. The largest source of retrieval error in the FluxNet-CLARA downwelling shortwave flux is shown to be an overestimated cloud optical thickness. The results illustrate that satellite-based flux estimates over the Arctic are not yet homogeneous and that further efforts are necessary to investigate the differences in the surface and cloud properties which lead to disagreements in flux retrievals.

  1. Design and fabrication of non silicon substrate based MEMS energy harvester for arbitrary surface applications

    International Nuclear Information System (INIS)

    Balpande, Suresh S.; Pande, Rajesh S.

    2016-01-01

    Internet of Things (IoT) uses MEMS sensor nodes and actuators to sense and control objects through Internet. IOT deploys millions of chemical battery driven sensors at different locations which are not reliable many times because of frequent requirement of charging & battery replacement in case of underground laying, placement at harsh environmental conditions, huge count and difference between demand (24 % per year) and availability (energy density growing rate 8% per year). Energy harvester fabricated on silicon wafers have been widely used in manufacturing MEMS structures. These devices require complex fabrication processes, costly chemicals & clean room. In addition to this silicon wafer based devices are not suitable for curved surfaces like pipes, human bodies, organisms, or other arbitrary surface like clothes, structure surfaces which does not have flat and smooth surface always. Therefore, devices based on rigid silicon wafers are not suitable for these applications. Flexible structures are the key solution for this problems. Energy transduction mechanism generates power from free surrounding vibrations or impact. Sensor nodes application has been purposefully selected due to discrete power requirement at low duty cycle. Such nodes require an average power budget in the range of about 0.1 microwatt to 1 mW over a period of 3-5 seconds. Energy harvester is the best alternate source in contrast with battery for sensor node application. Novel design of Energy Harvester based on cheapest flexible non silicon substrate i.e. cellulose acetate substrate have been modeled, simulated and analyzed on COMSOL multiphysics and fabricated using sol-gel spin coating setup. Single cantilever based harvester generates 60-75 mV peak electric potential at 22Hz frequency and approximately 22 µW power at 1K-Ohm load. Cantilever array can be employed for generating higher voltage by replicating this structure. This work covers design, optimization, fabrication of

  2. Computation of Hemagglutinin Free Energy Difference by the Confinement Method

    Science.gov (United States)

    2017-01-01

    Hemagglutinin (HA) mediates membrane fusion, a crucial step during influenza virus cell entry. How many HAs are needed for this process is still subject to debate. To aid in this discussion, the confinement free energy method was used to calculate the conformational free energy difference between the extended intermediate and postfusion state of HA. Special care was taken to comply with the general guidelines for free energy calculations, thereby obtaining convergence and demonstrating reliability of the results. The energy that one HA trimer contributes to fusion was found to be 34.2 ± 3.4kBT, similar to the known contributions from other fusion proteins. Although computationally expensive, the technique used is a promising tool for the further energetic characterization of fusion protein mechanisms. Knowledge of the energetic contributions per protein, and of conserved residues that are crucial for fusion, aids in the development of fusion inhibitors for antiviral drugs. PMID:29151344

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

    Directory of Open Access Journals (Sweden)

    N. Tsukahara

    2012-01-01

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

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

    Science.gov (United States)

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

    2016-07-01

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

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

    Directory of Open Access Journals (Sweden)

    J. Cuxart

    2016-07-01

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

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

    Science.gov (United States)

    Li, Hongyu; Fu, Congbin; Guo, Weidong

    2017-08-01

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

  7. 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.

  8. 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.

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

    Science.gov (United States)

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

    1994-01-01

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

  10. Constructing Potential Energy Surfaces for Polyatomic Systems: Recent Progress and New Problems

    Directory of Open Access Journals (Sweden)

    J. Espinosa-Garcia

    2012-01-01

    Full Text Available Different methods of constructing potential energy surfaces in polyatomic systems are reviewed, with the emphasis put on fitting, interpolation, and analytical (defined by functional forms approaches, based on quantum chemistry electronic structure calculations. The different approaches are reviewed first, followed by a comparison using the benchmark H + CH4 and the H + NH3 gas-phase hydrogen abstraction reactions. Different kinetics and dynamics properties are analyzed for these reactions and compared with the available experimental data, which permits one to estimate the advantages and disadvantages of each method. Finally, we analyze different problems with increasing difficulty in the potential energy construction: spin-orbit coupling, molecular size, and more complicated reactions with several maxima and minima, which test the soundness and general applicability of each method. We conclude that, although the field of small systems, typically atom-diatom, is mature, there still remains much work to be done in the field of polyatomic systems.

  11. 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.

  12. Surface modification and laser pulse length effects on internal energy transfer in DIOS.

    Science.gov (United States)

    Luo, Guanghong; Chen, Yong; Siuzdak, Gary; Vertes, Akos

    2005-12-29

    Benzyl-substituted benzylpyridinium (BP) chloride salts were used as a source of thermometer ions to probe the internal energy (IE) transfer in desorption/ionization on porous silicon (DIOS). To modify their wetting properties and the interaction energies with the thermometer ions, the DIOS surfaces were silylated to produce trimethylsilyl- (TMS), amine- (NH2), perfluoroalkyl- (PFA), and perfluorophenyl-derivatized (PFP) surfaces. Two laser sources--a nitrogen laser with pulse length of 4 ns and a mode locked 3 x omega Nd:YAG laser with a pulse length of 22 ps--were utilized to induce desorption/ionization and fragmentation at various laser fluence levels. The corresponding survival yields were determined as indicators of the IE transfer and the IE distributions were extracted. In most cases, with increasing the laser fluence in a broad range (approximately 20 mJ/cm2), no change in IE transfer was observed. For ns excitation, this was in remarkable contrast with MALDI, where increasing the laser fluence resulted in sharply (within approximately 5 mJ/cm2) declining survival yields. Derivatization of the porous silicon surface did not affect the survival yields significantly but had a discernible effect on the threshold fluence for ion production. The IE distributions determined for DIOS and MALDI from alpha-cyano-4-hydroxycinnamic acid reveal that the mean IE value is always lower for the latter. Using the ps laser, the IE distribution is always narrower for DIOS, whereas for ns laser excitation the width depends on surface modification. Most of the differences between MALDI and DIOS described here are compatible with the different dimensionality of the plume expansion and the differences in the activation energy of desorption due to surface modifications.

  13. Energy and Environmental Performance of Bioethanol from Different Lignocelluloses

    Directory of Open Access Journals (Sweden)

    Lin Luo

    2010-01-01

    Full Text Available Climate change and the wish to reduce the dependence on oil are the incentives for the development of alternative energy sources. The use of lignocellulosic biomass together with cellulosic processing technology provides opportunities to produce fuel ethanol with less competition with food and nature. Many studies on energy analysis and life cycle assessment of second-generation bioethanol have been conducted. However, due to the different methodology used and different system boundary definition, it is difficult to compare their results. To permit a direct comparison of fuel ethanol from different lignocelluloses in terms of energy use and environmental impact, seven studies conducted in our group were summarized in this paper, where the same technologies were used to convert biomass to ethanol, the same system boundaries were defined, and the same allocation procedures were followed. A complete set of environmental impacts ranging from global warming potential to toxicity aspects is used. The results provide an overview on the energy efficiency and environmental performance of using fuel ethanol derived from different feedstocks in comparison with gasoline.

  14. Generating Converged Accurate Free Energy Surfaces for Chemical Reactions with a Force-Matched Semiempirical Model.

    Science.gov (United States)

    Kroonblawd, Matthew P; Pietrucci, Fabio; Saitta, Antonino Marco; Goldman, Nir

    2018-03-22

    We demonstrate the capability of creating robust density functional tight binding (DFTB) models for chemical reactivity in prebiotic mixtures through force matching to short time scale quantum free energy estimates. Molecular dynamics using density functional theory (DFT) is a highly accurate approach to generate free energy surfaces for chemical reactions, but the extreme computational cost often limits the time scales and range of thermodynamic states that can feasibly be studied. In contrast, DFTB is a semiempirical quantum method that affords up to a thousandfold reduction in cost and can recover DFT-level accuracy. Here, we show that a force-matched DFTB model for aqueous glycine condensation reactions yields free energy surfaces that are consistent with experimental observations of reaction energetics. Convergence analysis reveals that multiple nanoseconds of combined trajectory are needed to reach a steady-fluctuating free energy estimate for glycine condensation. Predictive accuracy of force-matched DFTB is demonstrated by direct comparison to DFT, with the two approaches yielding surfaces with large regions that differ by only a few kcal mol -1 .

  15. Dose distribution considerations of medium energy electron beams at extended source-to-surface distance

    International Nuclear Information System (INIS)

    Saw, Cheng B.; Ayyangar, Komanduri M.; Pawlicki, Todd; Korb, Leroy J.

    1995-01-01

    Purpose: To determine the effects of extended source-to-surface distance (SSD) on dose distributions for a range of medium energy electron beams and cone sizes. Methods and Materials: The depth-dose curves and isodose distributions of 6 MeV, 10 MeV, and 14 MeV electron beams from a dual photon and multielectron energies linear accelerator were studied. To examine the influence of cone size, the smallest and the largest cone sizes available were used. Measurements were carried out in a water phantom with the water surface set at three different SSDs from 101 to 116 cm. Results: In the region between the phantom surface and the depth of maximum dose, the depth-dose decreases as the SSD increases for all electron beam energies. The effects of extended SSD in the region beyond the depth of maximum dose are unobservable and, hence, considered minimal. Extended SSD effects are apparent for higher electron beam energy with small cone size causing the depth of maximum dose and the rapid dose fall-off region to shift deeper into the phantom. However, the change in the depth-dose curve is small. On the other hand, the rapid dose fall-off region is essentially unaltered when the large cone is used. The penumbra enlarges and electron beam flatness deteriorates with increasing SSD

  16. 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

  17. 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

  18. 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 ...

  19. Surface energy balance measurements in the Mexico City: a review

    Energy Technology Data Exchange (ETDEWEB)

    Tejeda Martinez, A. [Universidad Veracruzana, Xalapa, Veracruz (Mexico); Jauregui Ostos, E. [Centro de Ciencias de la Atmosfera, Universidad Nacional Autonoma de Mexico, UNAM, Mexico, D.F. (Mexico)

    2005-01-01

    During the last decade of the 20th Century, diverse campaigns for measuring the atmospheric energy balance were performed in downtown Mexico City (School of Mines and Preparatory School No. 7), in the southern suburbs (University Reserve) and in the surrounding rural areas (Plan Texcoco), in addition to a campaign carried out in 1985 in the Tacubaya district, a suburban western peripheral site. The objective was to obtain data for a better understanding of the climatic alterations due to urbanization, particularly to describe the role that the modification of the natural ground cover has played as a result of paving and the construction of urban canyons. In this paper, a review of these campaigns is presented. Energy partitioning in some areas (Tacubaya and Preparatory School No.7) is similar to that observed in urban centers of middle latitudes, whereas the major contrast was observed between Texcoco, with maximum energy consumption through evaporation, and School of Mines, where the latent heat is as low as in a desert. From the values of the correlations among the different components of energy balance, it may be possible to attempt the modeling of the diverse components of energy balance by means of regression equations starting from the net radiation. Those same coefficients distinguish the type of environment: urban, suburban or rural. [Spanish] Las primeras mediciones de balance energetico en la Ciudad de Mexico se realizaron en 1985 en un suburbio al poniente de la ciudad (el observatorio de Tacubaya). Ya en la decada de los anos noventa del siglo XX, dichas observaciones se multiplicaron tanto en el centro historico (antigua Escuela de Minas y en el edificio de la Preparatoria No. 7), como en otros sitios al sur (en terrenos de Ciudad Universitaria) y en la periferia rural (Plan Texcoco). El proposito de estas mediciones ha sido tener un mejor entendimiento de las alteraciones climaticas debidas a la urbanizacion. En este trabajo se presenta una revision

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

    International Nuclear Information System (INIS)

    Andryushechkin, S.; Karpman, M.

    2000-01-01

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

  1. A thermodynamic model for predicting surface melting and overheating of different crystal planes in BCC, FCC and HCP pure metallic thin films

    International Nuclear Information System (INIS)

    Jahangir, Vafa; Riahifar, Reza; Sahba Yaghmaee, Maziar

    2016-01-01

    In order to predict as well as study the surface melting phenomena in contradiction to surface overheating, a generalized thermodynamics model including the surface free energy of solid and the melt state along with the interfacial energy of solid–liquid (melt on substrate) has been introduced. In addition, the effect of different crystal structures of surfaces in fcc, bcc and hcp metals was included in surface energies as well as in the atomistic model. These considerations lead us to predict surface melting and overheating as two contradictory melting phenomena. The results of the calculation are demonstrated on the example of Pb and Al thin films in three groups of (100), (110) and (111) surface planes. Our conclusions show good agreement with experimental results and other theoretical investigations. Moreover, a computational algorithm has been developed which enables users to investigate the surface melt or overheating of single component metallic thin film with variable crystal structures and different crystalline planes. This model and developed software can be used for studying all related surface phenomena. - Highlights: • Investigating the surface melting and overheating phenomena • Effect of crystal orientations, surface energies, geometry and different atomic surface layers • Developing a computational algorithm and its related code (free-software SMSO-Ver1) • Thickness and orientation of surface plane dominate the surface melting or overheating. • Total excess surface energy as a function of thickness and temperature explains melting.

  2. Renewable Energy in the Baltic States. Different Situations

    International Nuclear Information System (INIS)

    Streimikiene, Dalia

    2007-01-01

    In many ways, the Baltic nations seem to be good students with ambitious objectives for applying European directives and the Kyoto Protocol. For example, in 2006, renewable energies already accounted for 9 % in Lithuania, 10 % in Estonia and 43 % in Latvia (5.2 % in the EU-15) of primary energy output. This should increase to 12 %, 15 % and 50 % in 2010 (12 % in the EU-15) respectively. While all are dependent on oil imports, their own resources vary: nuclear power in Lithuania (at least until 2009 when the last reactor of the Ignalina power station will close, with EU compensation), oil shale feeds Estonian power stations, wood in Latvia. The latter must import electricity while the two other countries produce double their domestic demand. All three are linked to the Russian power grid built up during the Soviet era rather than the European. Nevertheless, the share of renewable energy produced electricity is very small in these two producer countries, unlike Latvia which has hydraulic resources. The three countries have very different taxation on energy and electrical products, including renewable energy price support. All were granted transitional periods of differing lengths to apply European standard. The Baltic nations produce low greenhouse gas emissions and only Estonia has organized an emission rights trading market

  3. Effect of Fractal Geometry on the Energy Balance at the Ground Surface

    Science.gov (United States)

    Sakai, S.; Iizawa, I.; Onishi, M.; Nakamura, M.; Kobayashi, K.; Mitsunaga, M.; Furuya, K.

    2008-12-01

    The surfaces of the urban areas are covered by large flat surfaces such as roads and walls of buildings while those of the rural areas are covered by many plants which have fractal structures. This difference in the surface geometry has great impact on the energy balance at the ground surface. A small leaf has large thermal conductivity to the surrounding air flow comparing with a anthropogenic large flat surface in an urban area even when the transpiration effect is ignored. For a cluster of many small leaves, the conductivity can be reduced by the interference, but trees have a structure to minimize its effect. We have conducted 3-dimensional laser measurements and analyzed their fractal dimensions. The analysis revealed that the trees have a fractal dimension of 2 although they are spread in a 3-dimensional space. Mathematically speaking, it means that the trees have 2-dimensional areas but do not have volume, in the limit of infinite self similarity. This geometry is favorable to absorb the sunlight using 2-dimensional area with minimum interruption of the 3-dimensional air flow. Being motivated by the results above, we have constructed a fractal sun roof consists of Sierpinski"fs tetrahedrons which have fractal dimension of 2. The roof covers an area of 100m2. The result shows that the surface temperature of the fractal roof is lower than the large flat surface with same material by more than 10 degrees.

  4. Diagnostic group differences in temporomandibular joint energy densities.

    Science.gov (United States)

    Gallo, L M; Iwasaki, L R; Gonzalez, Y M; Liu, H; Marx, D B; Nickel, J C

    2015-04-01

    Cartilage fatigue, due to mechanical work, may account for precocious development of degenerative joint disease in the temporomandibular joint (TMJ). This study compared energy densities (mJ/mm³) in TMJs of three diagnostic groups. Sixty-eight subjects (44 women, 24 men) gave informed consent. Diagnostic criteria for temporomandibular disorders (DC/TMD) and imaging were used to group subjects according to presence of jaw muscle or joint pain (+P) and bilateral disk displacement (+DD). Subjects (+P+DD, n=16; -P+DD, n=16; and -P-DD, n=36) provided cone-beam computed tomography and magnetic resonance images, and jaw-tracking data. Numerical modeling was used to determine TMJ loads (Fnormal). Dynamic stereometry was used to characterize individual-specific data of stress-field dynamics during 10 symmetrical jaw-closing cycles. These data were used to estimate tractional forces (Ftraction). Energy densities were then calculated as W/Q (W=work done or mechanical energy input=tractional force×distance of stress-field translation, Q=volume of cartilage). anova and Tukey-Kramer post hoc analyses tested for intergroup differences. Mean±standard error energy density for the +P+DD group was 12.7±1.5 mJ/mm³ and significantly greater (all adjusted p<0.04) when compared to -P+DD (7.4±1.4 mJ/mm³) and -P-DD (5.8±0.9 mJ/mm³) groups. Energy densities in -P+DD and -P-DD groups were not significantly different. Diagnostic group differences in energy densities suggest that mechanical work may be a unique mechanism, which contributes to cartilage fatigue in subjects with pain and disk displacement. © 2015 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  5. Quantification of surface energy fluxes from a small water body using scintillometry and eddy covariance

    DEFF Research Database (Denmark)

    McGloin, Ryan; McGowan, Hamish; McJannet, David

    2014-01-01

    % greater than eddy covariance measurements. We suggest possible reasons for this difference and provide recommendations for further research for improving measurements of surface energy fluxes over small water bodies using eddy covariance and scintillometry. Key Points Source areas for Eddy covariance......Accurate quantification of evaporation from small water storages is essential for water management and planning, particularly in water-scarce regions. In order to ascertain suitable methods for direct measurement of evaporation from small water bodies, this study presents a comparison of eddy...... covariance and scintillometry measurements from a reservoir in southeast Queensland, Australia. The work presented expands on a short study presented by McJannet et al. (2011) to include comparisons of eddy covariance measurements and scintillometer-derived predictions of surface energy fluxes under a wide...

  6. Optimal portfolio selection between different kinds of Renewable energy sources

    Energy Technology Data Exchange (ETDEWEB)

    Zakerinia, MohammadSaleh; Piltan, Mehdi; Ghaderi, Farid

    2010-09-15

    In this paper, selection of the optimal energy supply system in an industrial unit is taken into consideration. This study takes environmental, economical and social parameters into consideration in modeling along with technical factors. Several alternatives which include renewable energy sources, micro-CHP systems and conventional system has been compared by means of an integrated model of linear programming and three multi-criteria approaches (AHP, TOPSIS and ELECTRE III). New parameters like availability of sources, fuels' price volatility, besides traditional factors are considered in different scenarios. Results show with environmental preferences, renewable sources and micro-CHP are good alternatives for conventional systems.

  7. Universality and difference of electronic and spin transport properties at the irradiated oxide surface

    Science.gov (United States)

    Wang, Qiuru; Zhang, Wanli; Peng, Bin

    2017-09-01

    The ion irradiation technique is utilized to modify the surface structure of transition metal oxides (TMOs), including SrTiO3 and TiO2. After low-energy Ar+ ion bombardment, oxygen vacancies are introduced into the TMO surface layer, and their resistance decreases with increasing irradiation time. For the two oxides, the temperature-dependent resistivity exhibits different conducting behaviors. Due to the generation of an electron-doped quasi-2D surface layer, the voltage signals of the inverse Rashba-Edelstein effect are extracted in the ion-irradiated TMO with ferromagnetic permalloy films, and the spin transport parameters are respectively calculated from the ferromagnetic resonance measurement data.

  8. 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.

  9. 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.

  10. Regional energy consumption and income differences in Denmark

    DEFF Research Database (Denmark)

    Klinge Jacobsen, Henrik

    2003-01-01

    documents that rural populations have higher energy bills also compared to income, but there is no income inequality between rural and urban areas in Denmark. In countries with higher inequality in income distribution and a higher proportion of low-income households in rural areas, the impact of energy...... and transport taxes might be more uneven. In such cases, the environmental tax structure should compensate the low-income rural households. For countries with a high proportion of low-income households living in urban areas and little income inequality, this issue might, as in the Danish case, not be a problem......Internationally a debate on the distributional impact of energy taxation has focused on the tax burden relative to income. The general conclusion is that taxes are regressive, but at a varying degree for different countries. This study examines the relationship between location, income, heating...

  11. A Smarter Grid for Renewable Energy: Different States of Action

    Directory of Open Access Journals (Sweden)

    Clark Koenigs

    2013-11-01

    Full Text Available Smart grid has strong potential to advance and encourage renewable energy deployment, but given the multiple motivations for smart grid, renewables are not always central in smart grid policy discussions. The term “smart grid” represents a set of technologies, including advanced meters, sensors and energy storage that are crucial for the integration of more renewable and low carbon electricity into the electric power grid. However, developing and building a smart grid is jurisdictionally complex, path dependent and context specific; states and regions are approaching grid modernization in different ways. This paper reports on a comparative analysis of smart grid development in seven U.S. states. We use state-level policy documents to learn what motivates smart grid development and how smart grid is framed in relation to renewable energy. In some states, renewable technologies are presented as an integral part of the smart grid policy discussion, while in others they are largely absent.

  12. Energy behavior of solar hot water systems under different conditions

    International Nuclear Information System (INIS)

    Fuentes Lombá, Osmanys; Torres Ten, Alonso; Arzuaga Machado, Yusnel; Hernández, Massipe J. Raúl; Cueva Gonzales, Wagner

    2017-01-01

    By means of numerical simulations in TRNSYS v14 the influence of the solar absorption area of a system for heating water with solar energy, composed by a flat solar collector and a tank thermo-accumulator, on its energy efficiency. For the study, the solar collectors EDWARDS, ISOFOTÓN 1, ISOFOTÓN 2, MADE, ROLDAN and IBERSOLAR of absorption area 2, 1,9, 1,88, 2, 1,9 and 2,3 m2 respectively were chosen. For each collector, the energy performance was simulated for one year, setting 200 L for the accumulation volume and 50 °C for the intake temperature. Despite the different characteristics of each collector, their behavior is quite similar showing a very mature technology. (author)

  13. Adhesive bonding of resin composite to various titanium surfaces using different metal conditioners and a surface modification system

    Directory of Open Access Journals (Sweden)

    Hercules Jorge ALMILHATTI

    2013-12-01

    Full Text Available Objective: This study evaluated the effect of three metal conditioners on the shear bond strength (SBS of a prosthetic composite material to cpTi grade I having three surface treatments. Material and Methods: One hundred sixty eight rivet-shaped specimens (8.0x2.0 mm were cast and subjected to polishing (P or sandblasting with either 50 mm (50SB or 250 mm (250SB Al2O3. The metal conditioners Metal Photo Primer (MPP, Cesead II Opaque Primer (OP, Targis Link (TL, and one surface modification system Siloc (S, were applied to the specimen surfaces, which were covered with four 1-mm thick layers of resin composite. The resin layers were exposed to curing light for 90 s separately. Seven specimens from each experimental group were stored in water at 37ºC for 24 h while the other 7 specimens were subjected to 5,000 thermal cycles consisting of water baths at 4ºC and 60ºC (n=7. All specimens were subjected to SBS test (0.5 mm/min until failure occurred, and further 28 specimens were analyzed using scanning electron microscope (SEM and X-ray energy-dispersive spectroscopy (EDS. Data were analyzed by 3-way ANOVA followed by post-hoc Tukey's test (α=0.05. Results: On 50SB surfaces, OP groups showed higher SBS means than MPP (P<0.05, while no significant difference was found among OP, S, and TL groups. On 250SB surfaces, OP and TL groups exhibited higher SBS than MPP and S (P<0.05. No significant difference in SBS was found between OP and TL groups nor between MPP and S groups. The use of conditioners on 250SB surfaces resulted in higher SBS means than the use of the same products on 50SB surfaces (P<0.05. Conclusion: Sandblasting associated with the use of metal conditioners improves SBS of resin composites to cpTi.

  14. Physicochemical state of the nanotopographic surface of commercially pure titanium following anodization-hydrothermal treatment reveals significantly improved hydrophilicity and surface energy profiles.

    Science.gov (United States)

    Takebe, Jun; Ito, Shigeki; Miura, Shingo; Miyata, Kyohei; Ishibashi, Kanji

    2012-01-01

    A method of coating commercially pure titanium (cpTi) implants with a highly crystalline, thin hydroxyapatite (HA) layer using discharge anodic oxidation followed by hydrothermal treatment (Spark discharged Anodic oxidation treatment ; SA-treated cpTi) has been reported for use in clinical dentistry. We hypothesized that a thin HA layer with high crystallinity and nanostructured anodic titanium oxide film on such SA-treated cpTi implant surfaces might be a crucial function of their surface-specific potential energy. To test this, we analyzed anodic oxide (AO) cpTi and SA-treated cpTi disks by SEM and AFM. Contact angles and surface free energy of each disk surface was measured using FAMAS software. High-magnification SEM and AFM revealed the nanotopographic structure of the anodic titanium oxide film on SA-treated cpTi; however, this was not observed on the AO cpTi surface. The contact angle and surface free energy measurements were also significantly different between AO cpTi and SA-treated cpTi surfaces (Tukey's, P<0.05). These data indicated that the change of physicochemical properties of an anodic titanium oxide film with HA crystals on an SA-treated cpTi surface may play a key role in the phenomenon of osteoconduction during the process of osseointegration. Copyright © 2011 Elsevier B.V. All rights reserved.

  15. 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.

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

    International Nuclear Information System (INIS)

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

    2009-01-01

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

  17. Observation of core-level binding energy shifts between (100) surface and bulk atoms of epitaxial CuInSe{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Nelson, A.J. [Colorado School of Mines, Golden, CO (United States); Berry, G.; Rockett, A. [Univ. of Illinois, Urbana-Champaign, IL (United States)] [and others

    1997-04-01

    Core-level and valence band photoemission from semiconductors has been shown to exhibit binding energy differences between surface atoms and bulk atoms, thus allowing one to unambiguously distinguish between the two atomic positions. Quite clearly, surface atoms experience a potential different from the bulk due to the lower coordination number - a characteristic feature of any surface is the incomplete atomic coordination. Theoretical accounts of this phenomena are well documented in the literature for III-V and II-VI semiconductors. However, surface state energies corresponding to the equilibrium geometry of (100) and (111) surfaces of Cu-based ternary chalcopyrite semiconductors have not been calculated or experimental determined. These compounds are generating great interest for optoelectronic and photovoltaic applications, and are an isoelectronic analog of the II-VI binary compound semiconductors. Surface core-level binding energy shifts depend on the surface cohesive energies, and surface cohesive energies are related to surface structure. For ternary compound semiconductor surfaces, such as CuInSe{sub 2}, one has the possibility of variations in surface stoichiometry. Applying standard thermodynamical calculations which consider the number of individual surface atoms and their respective chemical potentials should allow one to qualitatively determine the magnitude of surface core-level shifts and, consequently, surface state energies.

  18. Increasing light coupling in a photovoltaic film by tuning nanoparticle shape with substrate surface energy

    Science.gov (United States)

    Kataria, Devika; Krishnamoorthy, Kothandam; Iyer, S. Sundar Kumar

    2017-08-01

    Tuning metal nanoparticle (MNP) contact angle on the surface it is formed can help maximise the useful optical coupling in photovoltaic films by localized surface plasmon (LSP) resonance—opening up the possibility of building improved photovoltaic cells. In this work experimental demonstration of optical absorption increase in copper phthalocyanine (CuPc) films by tuning silver MNP shape by changing its contact angles with substrate has been reported. Thin films of poly3,4 ethylenedioxythiophene: sodium dodecycl sulphate (PEDOT:SDS) with different surface energies were formed on indium tin oxide (ITO) coated glass by electro-deposition. Silver MNPs thermally evaporated directly on ozonised ITO as well as on the PEDOT:SDS films showed contact angles ranging from 60° to 125°. The CuPc layer was deposited on top of the MNPs. For the samples studied, best optical absorption in the CuPc layer was for a contact angle of 110°.

  19. 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.

  20. 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.

  1. Energy and environmental consciousness. Differences between advanced and developing countries

    International Nuclear Information System (INIS)

    Takeshita, Takashi

    1999-01-01

    The purpose of the present study is to understand how much differences there are between advanced countries and developing countries in terms of environmental and energy consciousness. We are experiencing now a big dilemma of the human desire to continue to exist and, at the same time, to develop the economy against the worsening of the Earth's environmental conditions. Understanding international differences of environmental and energy consciousness is a short way to solve this dilemma. The results of the present study were that peoples from advanced countries feel that science and technology are sometimes unreliable, while those from developing countries, are willing to rely upon them. However regardless of the country, people share the same consciousness about Earth's environment. In both, advanced and developing countries, people are reluctant to give up living comforts, unless this leads to a higher standard of living. Based on this result, the author would like to conduct another survey concerning the consciousness of future lifestyle. (author)

  2. Environmental evaluation of different forms of electric energy generation

    International Nuclear Information System (INIS)

    Guena, Ana Maria de Oliveira

    2007-01-01

    Electric energy has an important function in the modem world; it is fundamental for progress and development. The electricity discovery allowed improvements in several areas: health, water and food supply, quality of life and sanitary conditions, and contributed also to the establishment of the capitalist and consumption society. The use of oil as an energy generation source was the impulse for the industrial revolution and machines, motors and generators were developed contributing to the progress This also brought the pollutant gases emission (CO 2 , CO, SO x and NO x ) and other substances that had contributed to the greenhouse effect, the ozone hole and the acid rain, modifying the balance of the planet. The development and implementation of other forms of energy generation caused local changes, where they were installed, giving rise to environmental impacts. This work presents an evaluation about different forms of electrical energy generation and the environmental impacts relative to each one of them. Five forms of electric energy generation were considered: thermoelectric, nuclear, hydroelectric, wind and solar energy. The implementation and the development of the petroleum industry in the world and in Brazil are presented. The geology of the oil, its extraction and quality improvement, besides details of the functioning of three types of thermoelectric power plants - coal, gas and oil - are also discussed. The specific as well as the environmental impacts they have in common are highlighted. The impacts originated from the deactivation of each one of them are also pointed out. The discovery and the development of nuclear energy in Brazil and in the world as well as the functioning of a nuclear power plant, the impacts generated by its operation and decommissioning are presented. The history, functioning and development of hydroelectric energy generation in Brazil, characterized by the great plants, are related to environmental aspects The environmental

  3. Study of Hexane Adsorption on Activated Carbons with Differences in Their Surface Chemistry.

    Science.gov (United States)

    Hernández-Monje, Diana; Giraldo, Liliana; Moreno-Piraján, Juan Carlos

    2018-02-22

    The study of aliphatic compounds adsorption on activated carbon can be carried out from the energetic change involved in the interaction; the energy values can be determined from isotherms or by the immersion enthalpy. Vapor phase adsorption isotherms of hexane at 263 K on five activated carbons with different content of oxygenated groups and the immersion enthalpy of the activated carbons in hexane and water were determined in order to characterize the interactions in the solid-liquid system, and for calculating the hydrophobic factor of the activated carbons. The micropore volume and characteristic energy from adsorption isotherms of hexane, the BET (Brunauer-Emmett-Teller) surface area from the adsorption isotherms of N₂, and the area accessible to the hexane from the immersion enthalpy were calculated. The activated carbon with the lowest content of oxygenated groups (0.30 µmolg - ¹) and the highest surface area (996 m²g - ¹) had the highest hexane adsorption value: 0.27 mmol g - ¹; the values for E o were between 5650 and 6920 Jmol - ¹ and for ΔH im were between -66.1 and -16.4 Jg - ¹. These determinations allow us to correlate energetic parameters with the surface area and the chemical modifications that were made to the solids, where the surface hydrophobic character of the activated carbon favors the interaction.

  4. 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.

  5. Adsorption of neon and tetrafluoromethane on carbon nanohorn aggregates: differences in specific surface area values

    Science.gov (United States)

    Krungleviciute, Vaiva; Yudasaka, Masako; Iijima, Sumio; Migone, Aldo

    2008-03-01

    We have measured adsorption isotherms for two different adsorbates, neon and tetrafluoromethane, on dahlia-like carbon nanohorn aggregates. The experiments were performed at similar relative temperatures for both gases. The measurements were conducted to explore the effect of adsorbate diameter on the behavior of the resulting adsorbed systems. We measured the effective specific surface area value of the nanohorn sample using both gases, and we found that this quantity was about 22% smaller when we determined this quantity using tetrafluoromethane, the larger molecule. Isosteric heat and binding energy values were also determined from our measurements. We will compare our experimental results with those from a computer simulation study performed by Prof. M. Calbi. The simulations help us understand the source of the observed differences in the measured specific surface values, as well as the coverage dependence of the isosteric heat of adsorption for both gases.

  6. An Integrated Surface Engineering Technology Development for Improving Energy Efficiency of Engine Components

    Energy Technology Data Exchange (ETDEWEB)

    Stephen Hsu; Liming Chang; Huan Zhan

    2009-05-31

    Frictional losses are inherent in most practical mechanical systems. The ability to control friction offers many opportunities to achieve energy conservation. Over the years, materials, lubricants, and surface modifications have been used to reduce friction in automotive and diesel engines. However, in recent years, progress in friction reduction technology has slowed because many of the inefficiencies have been eliminated. A new avenue for friction reduction is needed. Designing surfaces specifically for friction reduction with concomitant enhanced durability for various engine components has emerged recently as a viable opportunity due to advances in fabrication and surface finishing techniques. Recently, laser ablated dimples on surfaces have shown friction reduction properties and have been demonstrated successfully in conformal contacts such as seals where the speed is high and the load is low. The friction reduction mechanism in this regime appears to depend on the size, patterns, and density of dimples in the contact. This report describes modeling efforts in characterizing surface textures and understanding their mechanisms for enhanced lubrication under high contact pressure conditions. A literature survey is first presented on the development of descriptors for irregular surface features. This is followed by a study of the hydrodynamic effects of individual micro-wedge dimples using the analytical solution of the 1-D Reynolds equation and the determination of individual components of the total friction resistance. The results obtained provide a better understanding of the dimple orientation effects and the approach which may be used to further compare the friction reduction provided by different texture patterns.

  7. Surface modifications of AISI 420 stainless steel by low energy Yttrium ions

    Directory of Open Access Journals (Sweden)

    Nassisi Vincenzo

    2018-01-01

    Full Text Available In this work, we study surface modifications of AISI 420 stainless steel specimens in order to improve their surface properties. Oxidation resistance and surface micro-hardness were analyzed. Using an ion beam delivered by a Laser Ion Source (LIS coupled to an electrostatic accelerator, we performed implantation of low energy yttrium ions on the samples. The ions experienced an acceleration passing through a gap whose ends had a potential difference of 60 kV. The gap was placed immediately before the samples surface. The LIS produced high ions fluxes per laser pulse, up to 3x1011 ions/cm2, resulting in a total implanted flux of 7x1015 ions/cm2. The samples were characterized before and after ion implantation using two analytical techniques. They were also thermally treated to investigate the oxide scale. The crystal phases were identified by an X-ray diffractometer, while the micro-hardness was assayed using the scratch test and a profilometer. The first analysis was applied to blank, implanted and thermally treated sample surface, while the latter was applied only to blank and implanted sample surfaces. We found a slight increase in the hardness values and an increase to oxygen resistance. The implantation technique we used has the advantages, with respect to conventional methods, to modify the samples at low temperature avoiding stray diffusion of ions inside the substrate bulk.

  8. Surface modifications of AISI 420 stainless steel by low energy Yttrium ions

    Science.gov (United States)

    Nassisi, Vincenzo; Delle Side, Domenico; Turco, Vito; Martina, Luigi

    2018-01-01

    In this work, we study surface modifications of AISI 420 stainless steel specimens in order to improve their surface properties. Oxidation resistance and surface micro-hardness were analyzed. Using an ion beam delivered by a Laser Ion Source (LIS) coupled to an electrostatic accelerator, we performed implantation of low energy yttrium ions on the samples. The ions experienced an acceleration passing through a gap whose ends had a potential difference of 60 kV. The gap was placed immediately before the samples surface. The LIS produced high ions fluxes per laser pulse, up to 3x1011 ions/cm2, resulting in a total implanted flux of 7x1015 ions/cm2. The samples were characterized before and after ion implantation using two analytical techniques. They were also thermally treated to investigate the oxide scale. The crystal phases were identified by an X-ray diffractometer, while the micro-hardness was assayed using the scratch test and a profilometer. The first analysis was applied to blank, implanted and thermally treated sample surface, while the latter was applied only to blank and implanted sample surfaces. We found a slight increase in the hardness values and an increase to oxygen resistance. The implantation technique we used has the advantages, with respect to conventional methods, to modify the samples at low temperature avoiding stray diffusion of ions inside the substrate bulk.

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

    Science.gov (United States)

    Liu, Chen; Zhao, Qi

    2011-08-02

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

  10. Systematic screening of different surface modifiers for the production of physically stable nanosuspensions.

    Science.gov (United States)

    Lestari, Maria L A D; Müller, Rainer H; Möschwitzer, Jan P

    2015-03-01

    The role of a surface modifier is important in the formation of stable nanosuspensions. In this study, a simple and systematic screening method for selecting optimum surface modifiers was performed by utilizing a low-energy wet ball milling method. Nine surface modifiers from different classes with different stabilization mechanisms were applied on six different models of active pharmaceutical ingredients (API). Particle size analysis showed that at concentration five times higher than the critical micelle concentration, SDS and sodium cholate (anionic surfactant) showed the highest percent success to produce stable nanosuspensions with particle size smaller than 250 nm. Similar findings were also shown by poloxamer 188 (nonionic surfactant) and hydroxypropylmethylcellulose E5 (polymeric stabilizer) at concentration 1% (w/v) and 0.8% (w/v), respectively. In addition, combinations of anionic surfactant and nonionic surfactant as well as combinations of anionic surfactant and polymeric stabilizer showed high percent success in the formation of stable nanosuspensions. In general, no correlation can be found between the physicochemical characteristics of the model API (molecular weight, melting point, log P, pKa, and crystallinity) with its feasibility to be nanosized. The concentration and the principle of stabilization of surface modifier determine the formation of stable nanosuspensions. © 2015 Wiley Periodicals, Inc. and the American Pharmacists Association.

  11. Detailed balance, internal consistency, and energy conservation in fragment orbital-based surface hopping

    Science.gov (United States)

    Carof, Antoine; Giannini, Samuele; Blumberger, Jochen

    2017-12-01

    We have recently introduced an efficient semi-empirical non-adiabatic molecular dynamics method for the simulation of charge transfer/transport in molecules and molecular materials, denoted fragment orbital-based surface hopping (FOB-SH) [J. Spencer et al., J. Chem. Phys. 145, 064102 (2016)]. In this method, the charge carrier wavefunction is expanded in a set of charge localized, diabatic electronic states and propagated in the time-dependent potential due to classical nuclear motion. Here we derive and implement an exact expression for the non-adiabatic coupling vectors between the adiabatic electronic states in terms of nuclear gradients of the diabatic electronic states. With the non-adiabatic coupling vectors (NACVs) available, we investigate how different flavours of fewest switches surface hopping affect detailed balance, internal consistency, and total energy conservation for electron hole transfer in a molecular dimer with two electronic states. We find that FOB-SH satisfies detailed balance across a wide range of diabatic electronic coupling strengths provided that the velocities are adjusted along the direction of the NACV to satisfy total energy conservation upon a surface hop. This criterion produces the right fraction of energy-forbidden (frustrated) hops, which is essential for correct population of excited states, especially when diabatic couplings are on the order of the thermal energy or larger, as in organic semiconductors and DNA. Furthermore, we find that FOB-SH is internally consistent, that is, the electronic surface population matches the average quantum amplitudes, but only in the limit of small diabatic couplings. For large diabatic couplings, inconsistencies are observed as the decrease in excited state population due to frustrated hops is not matched by a corresponding decrease in quantum amplitudes. The derivation provided here for the NACV should be generally applicable to any electronic structure approach where the electronic

  12. Surface energy exchanges over contrasting vegetation types on a subtropical sand island

    Science.gov (United States)

    Gray, Michael; McGowan, Hamish; Lowry, Andrew; Guyot, Adrien

    2017-04-01

    The surface energy balance of subtropical coastal vegetation communities has thus far received little attention. Here we present a multi-year observational data set using the eddy covariance method to quantify for the first time the surface energy balance over three contrasting vegetation types on a subtropical sand island in eastern Australia: a periodically inundated sedge swamp, an exotic pine plantation and a coastal heath. Maximum daily sensible heat flux varied between sites but was typically > 280 Wm-2 in the coastal heath and pine plantation but no more than 250 Wm-2 in the swamp when dry and Bowen ratio (β) 1. The partitioning of energy, as represented by β, is similar to a variety of Australian ecosystems, and a range of coastal vegetation types in other latitudes, but differs from other tropical or subtropical locations which have strongly seasonal rainfall patterns and therefore a switch from β > 1 before rainfall to β < 1 afterwards. The energy fluxes over the three vegetation types responded to seasonal changes in background meteorology with the most important influences being net radiation, absolute humidity, and rainfall. The main factor differentiating the sites was soil water content, with the remnant coastal heath and swamp having ready access to water but the exotic pine plantation having much drier soils. Should the current balance between remnant vegetation and the pine plantation undergo changes there would be a corresponding shift in the surface energy balance of the island as a whole, and altered plant water use may lead to reduced water table depth, important because the groundwater of the local islands is used as part of a regional water grid. A better understanding of the response of coastal vegetation to atmospheric forcing will enable more informed decision making on land use changes, as coastal regions the world over face development pressure.

  13. 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.

  14. Influence of surface treatments on the surface properties of different zirconia cores and adhesion of zirconia-veneering ceramic systems.

    Science.gov (United States)

    Elsaka, Shaymaa E

    2013-10-01

    The aim of this study was to assess the influence of surface treatments on the surface characteristics of different zirconia cores and the adhesion of the zirconia-veneering ceramic systems by means of strain energy release rate (G-value, J/m(2)). Three types of zirconia cores (NANOZR (NZ), Vita In-Ceram YZ (VZ), and IPS e.max ZirCAD (IZ)) were used. The specimens were divided into four groups in each test according to the surface treatment used; Gr 1 (control; no treatment), Gr 2 (sandblasted), Gr 3 (CH2Cl2 for 60min), and Gr 4 (experimental hot etching solution for 60min). AFM, SEM, EDS, and XRD were carried out. Two types of veneering ceramics (Vita VM9 (V9) and IPS e.max Ceram (IC)) were used for testing the adhesion. The G-value (J/m(2)) was measured with a four-point bending configuration. Following fracture testing specimens were examined with SEM. Data were analyzed using ANOVA and Tukey's test. NZ treated with the experimental hot etching solution showed the highest Ra values (206.06±9.98nm) compared with the other groups (Pveneering ceramic systems. The experimental hot etching solution could be considered as alternative treatment modality to sandblasting for zirconia cores to avoid phase transition at the surface from tetragonal to monoclinic that may be detrimental for the longevity of the zirconia-veneering ceramic restoration. Copyright © 2013 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

  15. Role of different Skyrme forces and surface corrections in exotic ...

    Indian Academy of Sciences (India)

    (see figure 1, where Ed is neglected because the fragments are considered to be spherical). Here Qin adds to the entrance channel kinetic energy Ecm of the incoming nuclei in their ground states. Section 2 gives some details of the Skyrme energy density model and preformed clus- ter model and its simplification to unified ...

  16. Surface energy balances of three general circulation models: Current climate and response to increasing atmospheric CO2

    International Nuclear Information System (INIS)

    Gutowski, W.J.; Gutzler, D.S.; Portman, D.; Wang, W.C.

    1988-04-01

    The surface energy balance simulated by state-of-the-art general circulation models at GFDL, GISS and NCAR for climates with current levels of atmospheric CO 2 concentration (control climate) and with twice the current levels. The work is part of an effort sponsored by the US Department of Energy to assess climate simulations produced by these models. The surface energy balance enables us to diagnose differences between models in surface temperature climatology and sensitivity to doubling CO 2 in terms of the processes that control surface temperature. Our analysis compares the simulated balances by averaging the fields of interest over a hierarchy of spatial domains ranging from the entire globe down to regions a few hundred kilometers across

  17. Surface free energy analysis of oil palm empty fruit bunches fiber reinforced biocomposites

    Science.gov (United States)

    Suryadi, G. S.; Nikmatin, S.; Sudaryanto; Irmansyah; Sukaryo, S. G.

    2017-05-01

    Study of the size effect of natural fiber from oil palm empty fruit bunches (OPEFB) as filler, onto the contact angle and surface free energy of fiber reinforced biocomposites has been done. The OPEFB fibers were prepared by mechanical milling and sieving to obtain various sizes of fiber (long-fiber, medium-fiber, short-fiber, and microparticle). The biocomposites has been produced by extrusion using single-screw extruder with EFB fiber as filler, recycled Acrylonitrile Butadiene Styrene (ABS) polymer as matrix, and primary antioxidant, acid scavanger, and coupling agent as additives. The obtained biocomposites in form of granular, were made into test piece by injection molding method. Contact angles of water, methanol, and hexane on the surface of biocomposites at room temperature were measured using Phoenix 300 Contact Angle Analyzer. The surface free energy (SFE) and their components were calculated using three previous known methods (Girifalco-Good-Fowkes-Young (GGFY), Owens-Wendt, and van Oss-Chaudhury-Good (vOCG)). The results showed that total SFE of Recycled ABS as control was about 24.38 mJ/m2, and SFE of biocomposites was lower than control, decreased with decreasing of EFB fiber size as biocomposites filler. The statistical analysis proved that there are no statistically significant differences in the value of the SFE calculated with the three different methods.

  18. Analysis of Energy Demand for Low-Energy Multi-Dwelling Buildings of Different Configuration

    Directory of Open Access Journals (Sweden)

    Giedrė Streckienė

    2014-10-01

    Full Text Available To meet the goals established by Directive 2010/31/EU of the European Parliament and of the Council on the energy performance of buildings, the topics of energy efficiency in new and old buildings must be solved. Research and development of new energy solutions and technology are necessary for increasing energy performance of buildings. Three low-energy multi-dwelling buildings have been modelled and analyzed in the presented study. All multi-dwelling houses are made of similar single-family house cells. However, multi-dwelling buildings are of different geometry, flat number and height. DesignBuilder software was used for simulating and determining heating, cooling and electricity demand for buildings. Three different materials (silicate, ceramic and clay concrete blocks as bearing constructions of external walls have been analyzed. To decrease cooling demand for buildings, the possibility of mounting internal or external louvers has been considered. Primary energy savings for multi-dwelling buildings using passive solar measures have been determined.

  19. Full energy chain analysis of greenhouse gas emissions from different energy sources

    International Nuclear Information System (INIS)

    Vate, J.F. van de

    1996-01-01

    The field of work of the Advisory Group Meeting/Workshop, i.e. full-energy chain emissions of greenhouse gases, is defined, and its environment, i.e. the Earth Summit -the 1992 UN Conference on Environment and Development in Rio-, is discussed. It is inferred that countries that ratified the Earth Summit's Convention on Climate Change have committed themselves to lower the greenhouse gas emissions from their energy use, and that this can be done most effectively by accounting in energy planning for the full-energy chain emissions of all greenhouse gases. The scatter in literature values of greenhouse gas emission factors of the full energy chain of individual energy sources is discussed. The scatter among others is due to different analytical methods, data bases and system boundaries, and due to neglect of the non-CO 2 greenhouse gases and professional biases. Generic values for greenhouse gas emission factors of energy and materials use are proposed. (author). 10 refs, 2 tabs

  20. Tensile bond strength of metal bracket bonding to glazed ceramic surfaces with different surface conditionings.

    Science.gov (United States)

    Akhoundi, Ms Ahmad; Kamel, M Rahmati; Hashemi, Sh Mahmood; Imani, M

    2011-01-01

    The objective of this study was to compare the tensile bond strength of metal brackets bonding to glazed ceramic surfaces using three various surface treatments. Forty two glazed ceramic disks were assigned to three groups. In the first and second groups the specimens were etched with 9.5% hydrofluoric acid (HFA). Subsequently in first group, ceramic primer and adhesive were applied, but in second group a bonding agent alone was used. In third group, specimens were treated with 35% phosphoric acid followed by ceramic primer and adhesive application. Brackets were bonded with light cure composites. The specimens were stored in distilled water in the room temperature for 24 hours and thermocycled 500 times between 5°C and 55°C. The universal testing machine was used to test the tensile bond strength and the adhesive remenant index scores between three groups was evaluated. The data were subjected to one-way ANOVA, Tukey and Kruskal-Wallis tests respectively. The tensile bond strength was 3.69±0.52 MPa forfirst group, 2.69±0.91 MPa for second group and 3.60±0.41 MPa for third group. Group II specimens showed tensile strength values significantly different from other groups (Ptensile bond strength.

  1. Differences in energy capacities between tennis players and runners.

    Science.gov (United States)

    Novak, Dario; Vucetić, Vlatko; Zugaj, Sanja

    2013-05-01

    The primary purpose of this study was to determine differences between elite athletes and tennis players in order to provide a clearer picture regarding the energy demands in modern tennis. Forty-eight (48) athletes and 24 tennis players from Croatian national leagues were compared in morphological and physiological parameters of an all-out incremental treadmill test with gas exchange measurements. Tennis players' HRmax (192.96+/-7.75 bpm) shows values that are most different to 400-meters sprinters (200.13+/-6.95 bpm). Maximum running speed of tennis players on the treadmill (vmax) is no different with the speed achieved by sprinters, while there are significant differences among other athletes. Values in running speed at anaerobic threshold (vAnT) show no statistically significant difference with the values for athlete sprinters and 400-m sprinters. Values of RvO2max for tennis players indicate significant similarities with athlete sprinters and 400-m sprinters while the values of RvO2AnT are nearly identical with the values for sprinters and show no statistically significant differences (p<0.05). The results indicate that values achieved by tennis players approximate most different those of the middle and long distance runners. This singles out the possible importance of the anaerobic capacity and the high level of sprint endurance in tennis players. Knowing these characteristics is the basis for planning and implementing training systems that will enable the increase and optimal usage of energy capacities of tennis players in possibly improving sports results.

  2. Structure of production costs of different energy sources (fossile fuels and nuclear energy) (group 11)

    International Nuclear Information System (INIS)

    Girard, Ph.

    2002-01-01

    This article is the work of a group of students from the ''Ecole Nationale d'Administration'', they had to study the structure of the costs of the different energy sources. This analysis shows some common features between the energy sources. The cost is very dependent on the partial costs of technological constraints due to exploration, production, transport and distribution. For primary energies the market appears to be not very competitive, the price depends strongly on the market power of the operator and benefits are generally important. In France, taxes play a role to assure competitiveness of gas and coal against oil. Uranium fuel presents the lowest production and transformation costs at the same energy content. Transport costs are important for natural gas which implies a strong mutual dependence between gas producers and consumers. The irreplaceable use of oil in transport assures regular high revenues for oil companies. (A.C.)

  3. Hysteresis of boiling for different tunnel-pore surfaces

    Directory of Open Access Journals (Sweden)

    Pastuszko Robert

    2015-01-01

    Full Text Available Analysis of boiling hysteresis on structured surfaces covered with perforated foil is proposed. Hysteresis is an adverse phenomenon, preventing high heat flux systems from thermal stabilization, characterized by a boiling curve variation at an increase and decrease of heat flux density. Experimental data were discussed for three kinds of enhanced surfaces: tunnel structures (TS, narrow tunnel structures (NTS and mini-fins covered with the copper wire net (NTS-L. The experiments were carried out with water, R-123 and FC-72 at atmospheric pressure. A detailed analysis of the measurement results identified several cases of type I, II and III for TS, NTS and NTS-L surfaces.

  4. Surface influence on convoy electron emission at low energies

    International Nuclear Information System (INIS)

    Sanchez, E.A.

    1988-01-01

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

  5. The role of clouds in the surface energy balance over the Amazon forest

    International Nuclear Information System (INIS)

    Eltahir, E.A.B.; Humphries, E.J. Jr.

    1998-01-01

    Deforestation in the Amazon region will initially impact the energy balance at the land surface through changes in land cover and surface hydrology. However, continuation of this human activity will eventually lead to atmospheric feedbacks, including changes in cloudiness which may play an important role in the final equilibrium of solar and terrestrial radiation at the surface. In this study, the different components of surface radiation over an undisturbed forest in the Amazon region are computed using data from the Amazon region micrometerological experiment (ARME). Several measures of cloudiness are defined: two estimated from the terrestrial radiation measurements, and one from the solar radiation measurements. The sensitivity of the surface fluxes of solar and terrestrial radiation to natural variability in cloudiness is investigated to infer the potential role of the cloudiness feedback in the surface energy balance. The results of this analysis indicate that a 1% decrease in cloudiness would increase net solar radiation by ca. 1.6 W/m 2 . However, the overall magnitude of this feedback, due to total deforestation of the Amazon forest, is likely to be of the same order as the magnitude of the decrease in net solar radiation due to the observed increase in surface albedo following deforestation. Hence, the total change in net solar radiation is likely to have a negligible magnitude. In contrast to this conclusion, we find that terrestrial radiation is likely to be more strongly affected; reduced cloudiness will decrease net terrestrial radiation; a 1% decrease in cloudiness induces a reduction in net terrestrial radiation of ca. 0.7 W/m 2 ; this process augments the similar effects of the predicted warming and drying in the boundary layer. Due to the cloudiness feedback, the most significant effect of large-scale deforestation on the surface energy balance is likely to be in the modification of the terrestrial radiation field rather than the classical albedo

  6. A pilot study of energy utilization patterns during different transurethral electrosurgical treatments of the prostate.

    Science.gov (United States)

    Patel, A; Fuchs, G J; Gutiérrez-Aceves, J

    1997-07-01

    During a prospective randomized study of prostatic and periprostatic heating during transurethral electrosurgical treatment, energy utilization was studied with respect to electrode configuration and prostate size. Patients were stratified for gland volume (transrectal ultrasound [TRUS] 50 cc or less and more than 50 cc) and randomized to treatment either with loop resection (transurethral resection of the prostate [TURP]) or electrovaporization (transurethral electrovaporization [TUEVAP]. VaporTrode-Grooved Bar, CIRCON ACMI). Power was provided by a radiofrequency unit (Force FX, Valleylab) initially set at 150 W. A passive feed-through system was connected to the patient circuit to record current and voltage at 10 Hz during each activation of the cut mode in real time. Patients (6 per group) were well matched for prostate volume (P < 0.57) and operating time (P < 0.33). Power settings were also similar (120 to 190 W). Both total energy utilization (P < 0.025) and energy used per minute of treatment (P < 0.004) were greater for TUEVAP than for TURP. The higher energy deposition per unit time for TUEVAP was not associated with undesirable periprostatic heating. For TURP, more energy was used per unit time for each gram resected in small prostates than in larger glands. Comparing energy consumption per minute per cubic centimeter of prostate, we found a 2:1 ratio between TUEVAP and TURP in large prostates, which increased to 3.4:1 (P < 0.049) in small glands. For the same panel power settings, more energy is deposited at the tissue interface during TUEVAP than during TURP. This extra energy provides better surface hemostasis without undesirable deep heating and can be explained by the larger contact surface and contact time (slower speed of excursion) of the VaporTrode than a regular loop. The novel observation that more energy is required for small prostates during both treatments suggests that these glands have different electrical properties and higher tissue

  7. 75 FR 7457 - Notice of Public Hearing on Stone Energy Corporation Proposed Surface Water Withdrawal and...

    Science.gov (United States)

    2010-02-19

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

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

    NARCIS (Netherlands)

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

    2004-01-01

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

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

    National Research Council Canada - National Science Library

    Pai, Sharmila

    1998-01-01

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

  10. 3D Printed Potential and Free Energy Surfaces for Teaching Fundamental Concepts in Physical Chemistry

    Science.gov (United States)

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

    2015-01-01

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

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

    NARCIS (Netherlands)

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

    2009-01-01

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

  12. Sex differences in obesity and the regulation of energy homeostasis.

    Science.gov (United States)

    Lovejoy, J C; Sainsbury, A

    2009-03-01

    Obesity prevalence is generally higher in women than in men, and there is also a sex difference in body fat distribution. Sex differences in obesity can be explained in part by the influence of gonadal steroids on body composition and appetite; however, behavioural, socio-cultural and chromosomal factors may also play a role. This review, which evolved from the 2008 Stock Conference on sex differences in obesity, summarizes current research and recommendations related to hormonal and neuroendocrine influences on energy balance and fat distribution. A number of important gaps in the research are identified, including a need for more studies on chromosomal sex effects on energy balance, the role of socio-cultural (i.e. gender) factors in obesity and the potential deleterious effects of high-fat diets during pregnancy on the foetus. Furthermore, there is a paucity of clinical trials examining sex-specific approaches and outcomes of obesity treatment (lifestyle-based or pharmacological), and research is urgently needed to determine whether current weight loss programmes, largely developed and tested on women, are appropriate for men. Last, it is important that both animal and clinical research on obesity be designed and analysed in such a way that data can be separately examined in both men and women.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2000-05-01

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

  14. Influence of milling process in the surface energy of glass tile frits

    International Nuclear Information System (INIS)

    Tamayo, A.; Rubio, F.; Otero, J. L.; Rubio, J.

    2013-01-01

    In this work has been studied the influence of the milling process of two ceramic frits used in the ceramic tile industry. Both glass frits were of similar chemical composition changing SiO 2 by 5% of B 2 O 3 and both of them were water or dry milled. Glass frit surfaces were characterized by FT-IR, Karl-Fischer (K-F) titration and Inverse Gas Chromatography at Infinite Dilution (IGC-ID). By K-F titration it was observed that water milled frits presented 28 and 26 OH groups for 100 A 2 if they do not contain or contain boron, respectively. These surface changes are also observed by IGC-ID. Thus, the glass frit without boron and dry milled presented the highest dispersive surface energy (44 mJ.m - 2) and the less acidic constant (0.13 kJ.mol - 1). Both glass frits are amphoteric with acidic and base surface active sites, and that frit without boron presents the higher basicity. Milling process influences in the acid-base surface characteristics of both frits by increasing the basicity for the one without boron and increasing for the other one. This has been assigned to the different location of hydroxyl groups where the higher interaction is the one that does not contain boron and dry milled as K-F results. (Author)

  15. Comparison of four different energy balance models for estimating evapotranspiration in the Midwestern United States

    Science.gov (United States)

    Singh, Ramesh K.; Senay, Gabriel B.

    2016-01-01

    The development of different energy balance models has allowed users to choose a model based on its suitability in a region. We compared four commonly used models—Mapping EvapoTranspiration at high Resolution with Internalized Calibration (METRIC) model, Surface Energy Balance Algorithm for Land (SEBAL) model, Surface Energy Balance System (SEBS) model, and the Operational Simplified Surface Energy Balance (SSEBop) model—using Landsat images to estimate evapotranspiration (ET) in the Midwestern United States. Our models validation using three AmeriFlux cropland sites at Mead, Nebraska, showed that all four models captured the spatial and temporal variation of ET reasonably well with an R2 of more than 0.81. Both the METRIC and SSEBop models showed a low root mean square error (0.80), whereas the SEBAL and SEBS models resulted in relatively higher bias for estimating daily ET. The empirical equation of daily average net radiation used in the SEBAL and SEBS models for upscaling instantaneous ET to daily ET resulted in underestimation of daily ET, particularly when the daily average net radiation was more than 100 W·m−2. Estimated daily ET for both cropland and grassland had some degree of linearity with METRIC, SEBAL, and SEBS, but linearity was stronger for evaporative fraction. Thus, these ET models have strengths and limitations for applications in water resource management.

  16. 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.

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

    DEFF Research Database (Denmark)

    Ringgaard, Rasmus; Herbst, Mathias; Friborg, Thomas

    2011-01-01

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

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

    DEFF Research Database (Denmark)

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

    1999-01-01

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

  19. 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

  20. Surface wave energy absorption by a partially submerged bio-inspired canopy.

    Science.gov (United States)

    Nové-Josserand, C; Castro Hebrero, F; Petit, L-M; Megill, W M; Godoy-Diana, R; Thiria, B

    2018-03-27

    Aquatic plants are known to protect coastlines and riverbeds from erosion by damping waves and fluid flow. These flexible structures absorb the fluid-borne energy of an incoming fluid by deforming mechanically. In this paper we focus on the mechanisms involved in these fluid-elasticity interactions, as an efficient energy harvesting system, using an experimental canopy model in a wave tank. We study an array of partially-submerged flexible structures that are subjected to the action of a surface wave field, investigating in particular the role of spacing between the elements of the array on the ability of our system to absorb energy from the flow. The energy absorption potential of the canopy model is examined using global wave height measurements for the wave field and local measurements of the elastic energy based on the kinematics of each element of the canopy. We study different canopy arrays and show in particular that flexibility improves wave damping by around 40%, for which half is potentially harvestable.

  1. An explanation for the different climate sensitivities of land and ocean surfaces based on the diurnal cycle

    Science.gov (United States)

    Kleidon, Axel; Renner, Maik

    2017-09-01

    Observations and climate model simulations consistently show a higher climate sensitivity of land surfaces compared to ocean surfaces. Here we show that this difference in temperature sensitivity can be explained by the different means by which the diurnal variation in solar radiation is buffered. While ocean surfaces buffer the diurnal variations by heat storage changes below the surface, land surfaces buffer it mostly by heat storage changes above the surface in the lower atmosphere that are reflected in the diurnal growth of a convective boundary layer. Storage changes below the surface allow the ocean surface-atmosphere system to maintain turbulent fluxes over day and night, while the land surface-atmosphere system maintains turbulent fluxes only during the daytime hours, when the surface is heated by absorption of solar radiation. This shorter duration of turbulent fluxes on land results in a greater sensitivity of the land surface-atmosphere system to changes in the greenhouse forcing because nighttime temperatures are shaped by radiative exchange only, which are more sensitive to changes in greenhouse forcing. We use a simple, analytic energy balance model of the surface-atmosphere system in which turbulent fluxes are constrained by the maximum power limit to estimate the effects of these different means to buffer the diurnal cycle on the resulting temperature sensitivities. The model predicts that land surfaces have a 50 % greater climate sensitivity than ocean surfaces, and that the nighttime temperatures on land increase about twice as much as daytime temperatures because of the absence of turbulent fluxes at night. Both predictions compare very well with observations and CMIP5 climate model simulations. Hence, the greater climate sensitivity of land surfaces can be explained by its buffering of diurnal variations in solar radiation in the lower atmosphere.

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

    Science.gov (United States)

    Foroutan-Nejad, Cina; Marek, Radek

    2014-02-14

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

  3. Tensile Bond Strength of Metal Bracket Bonding to Glazed Ceramic Surfaces With Different Surface Conditionings

    Directory of Open Access Journals (Sweden)

    M. Imani

    2011-12-01

    Full Text Available Objective: The objective of this study was to compare the tensile bond strength of metal brackets bonding to glazed ceramic surfaces using three various surface treatments.Materials and Methods: Forty two glazed ceramic disks were assigned to three groups. In the first and second groups the specimens were etched with 9.5% hydrofluoric acid (HFA. Subsequently in first group, ceramic primer and adhesive were applied, but in second group a bonding agent alone was used. In third group, specimens were treated with 35% phosphoric acid followed by ceramic primerand adhesive application. Brackets were bonded with light cure composites. The specimens were stored in distilled water in the room temperature for 24 hours and thermocycled 500 times between 5°C and 55°C. The universal testing machine was used to test the tensile bond strength and the adhesive remenant index scores between three groups was evaluated. The data were subjected to one-way ANOVA, Tukey and Kruskal-Wallis tests respectively.Results: The tensile bond strength was 3.69±0.52 MPa forfirst group, 2.69±0.91 MPa for second group and 3.60±0.41 MPa for third group. Group II specimens showed tensile strength values significantly different from other groups (P<0.01.Conclusion: In spite of limitations in laboratory studies it may be concluded that in application of Scotch bond multipurpose plus adhesive, phosphoric acid can be used instead of HFA for bonding brackets to the glazed ceramic restorations with enough tensile bond strength.

  4. Tribological behaviors of UHMWPE composites with different counter surface morphologies

    Science.gov (United States)

    Wang, Yanzhen; Yin, Zhongwei; Li, Hulin; Gao, Gengyuan

    2017-12-01

    The influence of counter surface morphologies on hybrid glass fiber (GF) and carbon fiber (CF) filled ultrahigh molecular weight polyethylene (UHMWPE) were studied under various contact pressure and sliding speed against GCr15 steel in dry condition. The goals were to investigate the tribological behavior of GF/CF/UHMWPE composite as a kind of water lubricated journal bearing material. The friction and wear behavior of composites were examined using a pin-on-disc tribometer. The morphologies of the worn surface were examined by scanning electron microscopy (SEM) and laser 3D micro-imaging and profile measurement. Generally, the wear rate and friction coefficient of composites increase as the increment of counter surface roughness. The friction coefficient increases firstly and then decrease with an increase in sliding speed and contact pressure for counterface with Ra=0.2 and 3.5 μm, while the friction coefficient decreased for counterface with Ra=0.6 μm.

  5. Contact angle and surface free energy of experimental resin-based dental restorative materials after chewing simulation.

    Science.gov (United States)

    Rüttermann, Stefan; Beikler, Thomas; Janda, Ralf

    2014-06-01

    To investigate contact angle and surface free energy of experimental dental resin composites containing novel delivery systems of polymeric hollow beads and low-surface tension agents after chewing simulation test. A delivery system of novel polymeric hollow beads differently loaded with two low-surface tension agents was used in different amounts to modify commonly formulated experimental dental resin composites. The non-modified resin was used as standard. Surface roughness Ra, contact angle Θ, total surface free energy γS, its apolar γS(LW), polar γS(AB), Lewis acid γS(+) and base γS(-) terms were determined and the results prior to and after chewing simulation test were compared. Significance was phollow beads highly loaded with low-surface tension agents were found to significantly increase contact angle and thus to reduce surface free energy of experimental dental resin composites prior to and after chewing simulation test. Copyright © 2014 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

  6. Energy dependent neutron sputtering and surface damage cross sections

    International Nuclear Information System (INIS)

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

    1976-01-01

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

  7. The health cost of energy. The health impacts of the different energy sources

    International Nuclear Information System (INIS)

    Masse, Roland

    2017-01-01

    This publication proposes an assessment of impacts of the different energy sources on public health. After a discussion of general aspects regarding this issue, the author addresses the identification and assessment of risks. While referring to different statistical data, he discusses the impacts of accidents in terms of dead, injured or evacuated people. He also addresses health impacts during a normal operation of power plants, i.e. in the case of nuclear plants (issue of exposure to various levels of radiation at the different steps of fuel cycle), of carbon-based plants (health risks and impacts during coal extraction, due to CO 2 emissions and to other toxic emissions, due to atmospheric pollution, identified risks, modelling attempts, assessment of a loss in life expectancy), and of other energies. While acknowledging that there are still many unknowns to assess these health impacts, the author compares these assessments. A summarized version of this article is proposed, in which the author briefly comments data regarding severe accidents related to energy production, discusses health consequences of electric power production and use, and makes a distinction between the most and less hazardous energies as far as public health is concerned

  8. Different Reliability Assessment Approaches for Wave Energy Converters

    DEFF Research Database (Denmark)

    Ambühl, Simon; Kramer, Morten Mejlhede; Sørensen, John Dalsgaard

    2015-01-01

    Reliability assessments are of importance for wave energy converters (WECs) due to the fact that accessibility might be limited in case of failure and maintenance. These failure rates can be adapted by reliability considerations. There are two different approaches to how reliability can be estima......Reliability assessments are of importance for wave energy converters (WECs) due to the fact that accessibility might be limited in case of failure and maintenance. These failure rates can be adapted by reliability considerations. There are two different approaches to how reliability can...... be estimated: the so-called classical reliability theory and the probabilistic reliability theory. The classical reliability theory is often used for failure rate estimations of mechanical and electrical components, whereas the probabilistic reliability theory is commonly used for structural components....... For WECs, mechanical/electrical components as well as structural components are of importance. Therefore, both reliability theories need to be incorporated in WEC designs, WEC developments and improvements of WECs. This paper gives an overview of the two reliability theories and how they can be combined...

  9. Energy expenditure on recreational visits to different natural environments.

    Science.gov (United States)

    Elliott, Lewis R; White, Mathew P; Taylor, Adrian H; Herbert, Stephen

    2015-08-01

    Physical inactivity poses a significant challenge to physical and mental health. Environmental approaches to tackle physical inactivity have identified natural environments as potentially important public health resources. Despite this, little is known about characteristics of the activity involved when individuals visit different types of natural environment. Using Natural England's Monitor of Engagement with the Natural Environment Survey, we examined 71,603 English respondents' recreational visits to natural environments in the past week. Specifically, we examined the intensity of the activities they undertook on the visits (METs), the duration of their visit, and the associated total energy expenditure (MET minutes). Visits to countryside and urban greenspace environments were associated with more intense activities than visits to coastal environments. However, visits to coastal environments were associated with the most energy expenditure overall due to their relatively long duration. Results differed by the urbanity or rurality of the respondent's residence and also how far respondents travelled to their destination. Knowledge of what types of natural environment afford the highest volumes and intensities of physical activity could inform landscape architecture and exercise prescriptions. Isolating activity-supporting characteristics of natural environments that can be translated into urban design is important in providing physical activity opportunities for those less able to access expansive environments. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

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

    Science.gov (United States)

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

    2018-03-20

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

  11. Estimating radiative feedbacks from stochastic fluctuations in surface temperature and energy imbalance

    Science.gov (United States)

    Proistosescu, C.; Donohoe, A.; Armour, K.; Roe, G.; Stuecker, M. F.; Bitz, C. M.

    2017-12-01

    Joint observations of global surface temperature and energy imbalance provide for a unique opportunity to empirically constrain radiative feedbacks. However, the satellite record of Earth's radiative imbalance is relatively short and dominated by stochastic fluctuations. Estimates of radiative feedbacks obtained by regressing energy imbalance against surface temperature depend strongly on sampling choices and on assumptions about whether the stochastic fluctuations are primarily forced by atmospheric or oceanic variability (e.g. Murphy and Forster 2010, Dessler 2011, Spencer and Braswell 2011, Forster 2016). We develop a framework around a stochastic energy balance model that allows us to parse the different contributions of atmospheric and oceanic forcing based on their differing impacts on the covariance structure - or lagged regression - of temperature and radiative imbalance. We validate the framework in a hierarchy of general circulation models: the impact of atmospheric forcing is examined in unforced control simulations of fixed sea-surface temperature and slab ocean model versions; the impact of oceanic forcing is examined in coupled simulations with prescribed ENSO variability. With the impact of atmospheric and oceanic forcing constrained, we are able to predict the relationship between temperature and radiative imbalance in a fully coupled control simulation, finding that both forcing sources are needed to explain the structure of the lagged-regression. We further model the dependence of feedback estimates on sampling interval by considering the effects of a finite equilibration time for the atmosphere, and issues of smoothing and aliasing. Finally, we develop a method to fit the stochastic model to the short timeseries of temperature and radiative imbalance by performing a Bayesian inference based on a modified version of the spectral Whittle likelihood. We are thus able to place realistic joint uncertainty estimates on both stochastic forcing and

  12. Evaluation of surface roughness of three different composite resins with three different polishing systems.

    Science.gov (United States)

    Abzal, Mohammed S; Rathakrishnan, Mensudar; Prakash, Venkatachalam; Vivekanandhan, Paramasivam; Subbiya, Arunajatesan; Sukumaran, Vridhachalam Ganapathy

    2016-01-01

    The aim of this study was to evaluate the surface roughness of three composites with three different polishing systems. Composite specimens were made from the Teflon mold with a standardized cavity size (6 mm diameter and 3 mm height). Group I - Filtek Z350XT (Nano clusters), group II - T-Econom plus (Microhybrid), group III - G-aenial Flo (True Nano). The samples were cured for 30 s from both sides with the matrices in place. The 60 samples were divided into 3 groups (N = 20), which accounted for 40 surfaces, (n = 20 × 2 = 40) in each groups. Each group were subdivided into four subgroups based on the type polishing material, subgroup A - Control, subgroup B - Astrobrush, subgroup C - Astropol, and subgroup D - Soflex spiral wheel. The samples of all groups except group A (control) were finished and polished according to the manufacture's instruction. After polishing, the roughness (Ra) of the resin composite of all the specimens were measured using a profilometer. Soflex spiral wheel (group D) significantly had the least roughness (Ra) value as compared to the other groups. Among the three resin composites tested, G-aenial Flo exhibited least Ra value due to its reduced filler size and its uniform distribution.

  13. The Impact of Energy Consumption on the Surface Urban Heat Island in China’s 32 Major Cities

    Directory of Open Access Journals (Sweden)

    Weilin Liao

    2017-03-01

    Full Text Available Supported by the rapid economic development in the last few decades, China has become the largest energy consumer in the world. Alongside this, the effect of the anthropogenic heat released from energy consumption is increasingly apparent. We quantified the daytime and nighttime surface urban heat island intensity (SUHII for the 32 major cities in mainland China, using MODIS land surface temperature data from 2008 to 2012, and estimated the energy consumption intensity (ECI based on the correlation between energy consumption and the sum of nighttime lights. On this basis, the impact of energy consumption on the surface urban heat island in China’s 32 major cities was analyzed, by directly examining the relationship between SUHII and the urban-suburban difference in ECI. The results show that energy consumption has a significantly positive correlation with the nighttime SUHII, but no correlation with the daytime SUHII. It indicates that the cities with a larger urban-suburban difference in ECI have a far greater impact on SUHII during the nighttime. Therefore, the statistical analysis of the historical observation data in this study provides evidence for a long-held hypothesis that the anthropogenic heat released from energy consumption is an important contributor to the urban thermal environment.

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

    Science.gov (United States)

    Mones, Letif; Bernstein, Noam; Csányi, Gábor

    2016-10-11

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

  15. Changes in the surface electronic states of semiconductor fine particles induced by high energy ion irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Yamaki, Tetsuya; Asai, Keisuke; Ishigure, Kenkichi [Tokyo Univ. (Japan); Shibata, Hiromi

    1997-03-01

    The changes in the surface electronic states of Q-sized semiconductor particles in Langmuir-Blodgett (LB) films, induced by high energy ion irradiation, were examined by observation of ion induced emission and photoluminescence (PL). Various emission bands attributed to different defect sites in the band gap were observed at the initial irradiation stage. As the dose increased, the emissions via the trapping sites decreased in intensity while the band-edge emission developed. This suggests that the ion irradiation would remove almost all the trapping sites in the band gap. The low energy emissions, which show a multiexponential decay, were due to a donor-acceptor recombination between the deeply trapped carriers. It was found that the processes of formation, reaction, and stabilization of the trapping sites would predominantly occur under the photooxidizing conditions. (author)

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

    International Nuclear Information System (INIS)

    Guthrie, W.L.

    1983-01-01

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

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

    DEFF Research Database (Denmark)

    Cybulski, Hubert; Fernandez, Berta; Henriksen, Christian

    2012-01-01

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

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

    DEFF Research Database (Denmark)

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

    1994-01-01

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

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

    Indian Academy of Sciences (India)

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

  20. Performances of different metals in optical fibre-based surface ...

    Indian Academy of Sciences (India)

    For the past few years, intense investigations were done on various sensing techniques, which may be employed for ... vector parallel to the incident plane) coincide with those of the surface plasmon wave, this light resonantly .... critical angle of the fibre and ncl is the refractive index of the cladding of the fibre. 2.6 Sensitivity ...

  1. Characterization of neutrophil adhesion to different titanium surfaces

    Indian Academy of Sciences (India)

    ing blood; however, direct contact between the oxide layer of the implant and neutrophils has not been completely described. The aim of the present study is to compare ... Titanium surfaces; neutrophil morphology; adhesion molecules; inflammatory response; flow cytome- try; scanning electron microscopy. 1. Introduction.

  2. Performances of different metals in optical fibre-based surface ...

    Indian Academy of Sciences (India)

    an angle θ and the right-hand side shows the real part of the propagation constant of the surface plasmon. 2.4 Reflection coefficient. The expression for the amplitude reflection coefficient of the p-polarized incident light can be obtained by using the matrix method for N-layer model [15]. The matrix method is very easy and ...

  3. Estimation of surface impedance using different types of microphone arrays

    DEFF Research Database (Denmark)

    Richard, Antoine Philippe André; Fernandez Grande, Efren; Brunskog, Jonas

    2017-01-01

    , the performances of a rigid spherical array and a double layer planar array are examined. The use of sparse array processing methods and conventional regulariation approaches are studied. In addition, the influence of the size of the sample on the surface impedance estimation is investigated using both...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-04-30

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

  5. Low-energy structures of benzene clusters with a novel accurate potential surface.

    Science.gov (United States)

    Bartolomei, M; Pirani, F; Marques, J M C

    2015-12-05

    The benzene-benzene (Bz-Bz) interaction is present in several chemical systems and it is known to be crucial in understanding the specificity of important biological phenomena. In this work, we propose a novel Bz-Bz analytical potential energy surface which is fine-tuned on accurate ab initio calculations in order to improve its reliability. Once the Bz-Bz interaction is modeled, an analytical function for the energy of the Bzn clusters may be obtained by summing up over all pair potentials. We apply an evolutionary algorithm (EA) to discover the lowest-energy structures of Bzn clusters (for n=2-25), and the results are compared with previous global optimization studies where different potential functions were employed. Besides the global minimum, the EA also gives the structures of other low-lying isomers ranked by the corresponding energy. Additional ab initio calculations are carried out for the low-lying isomers of Bz3 and Bz4 clusters, and the global minimum is confirmed as the most stable structure for both sizes. Finally, a detailed analysis of the low-energy isomers of the n = 13 and 19 magic-number clusters is performed. The two lowest-energy Bz13 isomers show S6 and C3 symmetry, respectively, which is compatible with the experimental results available in the literature. The Bz19 structures reported here are all non-symmetric, showing two central Bz molecules surrounded by 12 nearest-neighbor monomers in the case of the five lowest-energy structures. © 2015 Wiley Periodicals, Inc.

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-06-15

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

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

    Science.gov (United States)

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

    2017-06-01

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

  8. Effect of dietary dilution of energy and nutrients during different ...

    African Journals Online (AJOL)

    PRECIOUS

    2009-11-16

    Nov 16, 2009 ... energy increase, poultry consumes more energy that lead to increase fat storing in their bodies (Robbins, ... birds while consuming diluted diets, improve their energy intake productivity with reducing energy ..... Farell DJ, Mannion PF, Maldonado RAP (1999). A comparison of total and digestible amino acid ...

  9. Microclimatic models. Estimation of components of the energy balance over land surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Heikinheimo, M.; Venaelaeinen, A.; Tourula, T. [Finnish Meteorological Inst., Helsinki (Finland). Air Quality Dept.

    1996-12-31

    Climates at regional scale are strongly dependent on the interaction between atmosphere and its lower boundary, the oceans and the land surface mosaic. Land surfaces influence climate through their albedo, and the aerodynamic roughness, the processes of the biosphere and many soil hydrological properties; all these factors vary considerably geographically. Land surfaces receive a certain portion of the solar irradiance depending on the cloudiness, atmospheric transparency and surface albedo. Short-wave solar irradiance is the source of the heat energy exchange at the earth`s surface and also regulates many biological processes, e.g. photosynthesis. Methods for estimating solar irradiance, atmospheric transparency and surface albedo were reviewed during the course of this project. The solar energy at earth`s surface is consumed for heating the soil and the lower atmosphere. Where moisture is available, evaporation is one of the key components of the surface energy balance, because the conversion of liquid water into water vapour consumes heat. The evaporation process was studied by carrying out field experiments and testing parameterisation for a cultivated agricultural surface and for lakes. The micrometeorological study over lakes was carried out as part of the international `Northern Hemisphere Climatic Processes Experiment` (NOPEX/BAHC) in Sweden. These studies have been aimed at a better understanding of the energy exchange processes of the earth`s surface-atmosphere boundary for a more accurate and realistic parameterisation of the land surface in atmospheric models

  10. 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

  11. Earthquake Energy Distribution along the Earth Surface and Radius

    International Nuclear Information System (INIS)

    Varga, P.; Krumm, F.; Riguzzi, F.; Doglioni, C.; Suele, B.; Wang, K.; Panza, G.F.

    2010-07-01

    The global earthquake catalog of seismic events with M W ≥ 7.0, for the time interval from 1950 to 2007, shows that the depth distribution of earthquake energy release is not uniform. The 90% of the total earthquake energy budget is dissipated in the first ∼30km, whereas most of the residual budget is radiated at the lower boundary of the transition zone (410 km - 660 km), above the upper-lower mantle boundary. The upper border of the transition zone at around 410 km of depth is not marked by significant seismic energy release. This points for a non-dominant role of the slabs in the energy budged of plate tectonics. Earthquake number and energy release, although not well correlated, when analysed with respect to the latitude, show a decrease toward the polar areas. Moreover, the radiated energy has the highest peak close to (±5 o ) the so-called tectonic equator defined by Crespi et al. (2007), which is inclined about 30 o with respect to the geographic equator. At the same time the presence of a clear axial co- ordination of the radiated seismic energy is demonstrated with maxima at latitudes close to critical (±45 o ). This speaks about the presence of external forces that influence seismicity and it is consistent with the fact that Gutenberg-Richter law is linear, for events with M>5, only when the whole Earth's seismicity is considered. These data are consistent with an astronomical control on plate tectonics, i.e., the despinning (slowing of the Earth's angular rotation) of the Earth's rotation caused primarily by the tidal friction due to the Moon. The mutual position of the shallow and ∼660 km deep earthquake energy sources along subduction zones allows us to conclude that they are connected with the same slab along the W-directed subduction zones, but they may rather be disconnected along the opposed E-NE-directed slabs, being the deep seismicity controlled by other mechanisms. (author)

  12. Differences in energy transfer of a cyanobacterium, Synechococcus sp. PCC 7002, grown in different cultivation media.

    Science.gov (United States)

    Niki, Kenta; Aikawa, Shimpei; Yokono, Makio; Kondo, Akihiko; Akimoto, Seiji

    2015-08-01

    Currently, cyanobacteria are regarded as potential biofuel sources. Large-scale cultivation of cyanobacteria in seawater is of particular interest because seawater is a low-cost medium. In the present study, we examined differences in light-harvesting and energy transfer processes in the cyanobacterium Synechococcus sp. PCC 7002 grown in different cultivation media, namely modified A medium (the optimal growth medium for Synechococcus sp. PCC 7002) and f/2 (a seawater medium). The concentrations of nitrate and phosphate ions were varied in both media. Higher nitrate ion and/or phosphate ion concentrations yielded high relative content of phycobilisome. The cultivation medium influenced the energy transfers within phycobilisome, from phycobilisome to photosystems, within photosystem II, and from photosystem II to photosystem I. We suggest that the medium also affects charge recombination at the photosystem II reaction center and formation of a chlorophyll-containing complex.

  13. In vitro characterization of two different atmospheric plasma jet chemical functionalizations of titanium surfaces

    Science.gov (United States)

    Mussano, F.; Genova, T.; Verga Falzacappa, E.; Scopece, P.; Munaron, L.; Rivolo, P.; Mandracci, P.; Benedetti, A.; Carossa, S.; Patelli, A.

    2017-07-01

    Plasma surface activation and plasma polymers deposition are promising technologies capable to modulate biologically relevant surface features of biomaterials. The purpose of this study was to evaluate the biological effects of two different surface modifications, i.e. amine (NH2-Ti) and carboxylic/esteric (COOH/R-Ti) functionalities obtained from 3-aminopropyltriethoxysilane (3-APTES) and methylmethacrylate (MMA) precursors, respectively, through an atmospheric plasma jet RF-APPJ portable equipment. The coatings were characterized by Scanning Electron Microscopy, FT-IR spectroscopy, XPS and surface energy calculations. Stability in water and after UV sterilization were also verified. The pre-osteoblastic murine cell line MC3T3-E1 was used to perform the in-vitro tests. The treated samples showed a higher quantity of adsorbed proteins and improved osteoblast cells adhesion on the surfaces compared to the pristine titanium, in particular the COOH/R-Ti led to a nearly two-fold improvement. Cell proliferation on coated samples was initially (at 24 h) lower than on titanium control, while, at 48 h, COOH/R-Ti reached the proliferation rate of pristine titanium. Cells grown on NH2-Ti were more tapered and elongated in shape with lower areas than on COOH/R-Ti enriched surfaces. Finally, NH2-Ti significantly enhanced osteocalcin production, starting from 14 days, while COOH/R-Ti had this effect only from 21 days. Notably, NH2-Ti was more efficient than COOH/R-Ti at 21 days. The amine functionality elicited the most relevant osteogenic effect in terms of osteocalcin expression, thus establishing an interesting correlation between early cell morphology and later differentiation stages. Taken together, these data encourage the use of the functionalization procedures here reported in further studies.

  14. Investigation of Different Configurations of a Ventilated Window to Optimize Both Energy Efficiency and Thermal Comfort

    DEFF Research Database (Denmark)

    Liu, Mingzhe; Heiselberg, Per; Larsen, Olena Kalyanova

    2017-01-01

    ) for the calculation of the thermal and solar properties of commercial and innovative window systems. Additionally, comfort performance is evaluated by inlet air temperature and internal surface temperature of the windows calculated by WIS software. The results of the study show the energy and comfort performance...... the energy consumption or optimizing the thermal comfort. The provided optimal window typologies can be used in residential and commercial buildings for both new constructions and renovations.......The study in this article investigates 15 ventilated window typologies with different pane configurations and glazing types in climates of four European countries (United Kingdom, Denmark, France and Germany) in order to identify the optimum typology with regard to their energy balance and impact...

  15. The laboratory station for tyres grip testing on different surfaces

    Science.gov (United States)

    Kalinowski, K.; Grabowik, C.; Janik, W.; Ćwikła, G.; Skowera, M.

    2015-11-01

    The paper presents the conception of the device for tyre grip testing in the laboratory conditions. The main purpose is to provide a device working in confined spaces, which enables rapid changes of the tested samples of the road surfaces. Among the key assumptions the minimization of the device dimensions and the relative ease of transportation and mobility - the ability to quick assemble and disassemble were also assumed. The main components of the projected workstation includes: the replaceable platform for mounting samples of a road surface, the roller conveyor, the drive of the platform, the wheel mounting assembly and the axial force measuring system. At the design the station a morphological structure method has been used, particular elements have been optimized individually.

  16. 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....

  17. Radiation exchange between persons and surfaces for building energy simulations

    DEFF Research Database (Denmark)

    Vorre, Mette Havgaard; Jensen, Rasmus Lund; Dreau, Jerome Le

    2015-01-01

    Thermal radiation within buildings is a significant component of thermal comfort. Typically the methods applied for calculating view factors between a person and its building surfaces requires great computational time. This research developed a view factor calculation method suitable for building...

  18. Manufacture of nanosized apatite coatings on titanium with different surface treatments using a supersaturated calcification solution

    Directory of Open Access Journals (Sweden)

    Adrian Paz Ramos

    Full Text Available The biomimetic method is used for the deposition of calcium phosphate coatings (Ca - P on the surface of different biomaterials. However, the application of this method requires long exposure times in order to obtain a suitable layer thickness for its use in medical devices. In this paper, we present a fast approach to obtain apatite coatings on titanium, using a combination of supersaturated calcification solution (SCS with chemical modification of the titanium surface. Also, it was evaluated the effect of four different surface treatments on the apatite deposition rate. Commercially pure titanium plates were activated by chemical or thermochemical treatments. Then, the activated samples were immersed in a solution with high content of calcium and phosphate ions at 37 ºC for 24 h, mimicking the physiological conditions. The coatings were studied by Fourier transform infrared spectroscopy (FTIR, X-ray diffraction (XRD, scanning electron microscopy (SEM and energy dispersive X-ray spectroscopy (EDX. The use of SCS solutions allowed the formation of crystalline hydroxyapatite coatings within a period of 24 h with a thickness between 1 and 5.3 µm. Besides, precipitates of hydroxyapatite nanoparticles with a globular configuration, forming aggregates with submicrometer size, were found in SCS solutions.

  19. Phase transition in the Jarzynski estimator of free energy differences.

    Science.gov (United States)

    Suárez, Alberto; Silbey, Robert; Oppenheim, Irwin

    2012-05-01

    The transition between a regime in which thermodynamic relations apply only to ensembles of small systems coupled to a large environment and a regime in which they can be used to characterize individual macroscopic systems is analyzed in terms of the change in behavior of the Jarzynski estimator of equilibrium free energy differences from nonequilibrium work measurements. Given a fixed number of measurements, the Jarzynski estimator is unbiased for sufficiently small systems. In these systems the directionality of time is poorly defined and the configurations that dominate the empirical average, but which are in fact typical of the reverse process, are sufficiently well sampled. As the system size increases the arrow of time becomes better defined. The dominant atypical fluctuations become rare and eventually cannot be sampled with the limited resources that are available. Asymptotically, only typical work values are measured. The Jarzynski estimator becomes maximally biased and approaches the exponential of minus the average work, which is the result that is expected from standard macroscopic thermodynamics. In the proper scaling limit, this regime change has been recently described in terms of a phase transition in variants of the random energy model. In this paper this correspondence is further demonstrated in two examples of physical interest: the sudden compression of an ideal gas and adiabatic quasistatic volume changes in a dilute real gas.

  20. Oxathiiranes 8 On the OCS2 Singlet Potential Energy Surface

    DEFF Research Database (Denmark)

    Carlsen, Lars

    1982-01-01

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

  1. Dynamics study of the OH + NH3 hydrogen abstraction reaction using QCT calculations based on an analytical potential energy surface.

    Science.gov (United States)

    Monge-Palacios, M; Corchado, J C; Espinosa-Garcia, J

    2013-06-07

    To understand the reactivity and mechanism of the OH + NH3 → H2O + NH2 gas-phase reaction, which evolves through wells in the entrance and exit channels, a detailed dynamics study was carried out using quasi-classical trajectory calculations. The calculations were performed on an analytical potential energy surface (PES) recently developed by our group, PES-2012 [Monge-Palacios et al. J. Chem. Phys. 138, 084305 (2013)]. Most of the available energy appeared as H2O product vibrational energy (54%), reproducing the only experimental evidence, while only the 21% of this energy appeared as NH2 co-product vibrational energy. Both products appeared with cold and broad rotational distributions. The excitation function (constant collision energy in the range 1.0-14.0 kcal mol(-1)) increases smoothly with energy, contrasting with the only theoretical information (reduced-dimensional quantum scattering calculations based on a simplified PES), which presented a peak at low collision energies, related to quantized states. Analysis of the individual reactive trajectories showed that different mechanisms operate depending on the collision energy. Thus, while at high energies (E(coll) ≥ 6 kcal mol(-1)) all trajectories are direct, at low energies about 20%-30% of trajectories are indirect, i.e., with the mediation of a trapping complex, mainly in the product well. Finally, the effect of the zero-point energy constraint on the dynamics properties was analyzed.

  2. Ignition in net for different energy confinement time scalings

    International Nuclear Information System (INIS)

    Johner, J.; Prevot, F.

    1988-06-01

    A zero-dimensional profile dependent model is used to assess the feasibility of ignition in the extended version of NET. Five recent scalings for the energy confinement time (Goldston, Kaye All, Kaye Big, Shimomura-Odajima, Rebut-Lallia) are compared in the frame of two different scenarii, i.e., H-mode with a flat density profile or L-mode with a peaked density profile. For the flat density H-mode case, ignition is accessible with none of the scalings except Rebut-Lallia's. For the peaked density L-mode case, ignition is accessible with none of the scalings except Rebut-Lallia's. For the two Kaye's scalings, ignition is forbidden in H-mode even with the peaked density profile. For the Rebut-Lallia scaling, ignition is allowed in L-mode even with the flat density profile

  3. Double binding energy differences: Mean-field or pairing effect?

    Science.gov (United States)

    Qi, Chong

    2012-10-01

    In this Letter we present a systematic analysis on the average interaction between the last protons and neutrons in atomic nuclei, which can be extracted from the double differences of nuclear binding energies. The empirical average proton-neutron interaction Vpn thus derived from experimental data can be described in a very simple form as the interplay of the nuclear mean field and the pairing interaction. It is found that the smooth behavior as well as the local fluctuations of the Vpn in even-even nuclei with N ≠ Z are dominated by the contribution from the proton-neutron monopole interactions. A strong additional contribution from the isoscalar monopole interaction and isovector proton-neutron pairing interaction is seen in the Vpn for even-even N = Z nuclei and for the adjacent odd-A nuclei with one neutron or proton being subtracted.

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

    DEFF Research Database (Denmark)

    Fernández, Berta; Henriksen, Christian; Farrelly, David

    2013-01-01

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

  5. 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.

  6. Spatiotemporal variability in surface energy balance across tundra, snow and ice in Greenland

    DEFF Research Database (Denmark)

    Lund, Magnus; Stiegler, Christian; Abermann, Jakob

    2017-01-01

    The surface energy balance (SEB) is essential for understanding the coupled cryosphere–atmosphere system in the Arctic. In this study, we investigate the spatiotemporal variability in SEB across tundra, snow and ice. During the snow-free period, the main energy sink for ice sites is surface melt....... For tundra, energy is used for sensible and latent heat flux and soil heat flux leading to permafrost thaw. Longer snow-free period increases melting of the Greenland Ice Sheet and glaciers and may promote tundra permafrost thaw. During winter, clouds have a warming effect across surface types whereas during...

  7. Topographical evaluation of different glass and quartz fiber post surface treatments by a tridimensional surface roughness test.

    Science.gov (United States)

    Soares, Leandro Passos; Dias, Katia Regina Hostilio Cervantes; de Vasconcellos, Adalberto Bastos; Sampaio, Eduardo Martins; Limaverde, Aricelso Maia; Barceleiro, Marcos de Oliveira

    2010-01-01

    A tridimensional surface roughness test evaluation is a nondestructive method that can be used to perform a topographic analysis of different surface treatments for glass and quartz fiber posts. This study divided 75 fiber posts into three groups according to their manufacturer. Each group was divided into five subgroups (n = 5), according to the surface treatment each received: immersion in hydrofluoric acid, sandblasting, immersion in hydrogen peroxide, sandblasting followed by immersion in hydrofluoric acid, or sandblasting followed by immersion in hydrogen peroxide. Surface roughness was measured using a tridimensional surface roughness test and analyzed with three-dimensional analysis software. Results were statistically analyzed using Student's t-test. The only surface treatment to modify the surface topography of glass and quartz fiber posts and provide a significant increase in roughness was sandblasting airborne-particle abrasion with 50 micro alumina at a distance of 30 mm, using 2.5 bars of pressure for five seconds.

  8. Reconnoitering the effect of shallow groundwater on land surface temperature and surface energy balance using MODIS and SEBS

    Directory of Open Access Journals (Sweden)

    F. Alkhaier

    2012-07-01

    Full Text Available The possibility of observing shallow groundwater depth and areal extent using satellite measurements can support groundwater models and vast irrigation systems management. Moreover, these measurements can help to include the effect of shallow groundwater on surface energy balance within land surface models and climate studies, which broadens the methods that yield more reliable and informative results. To examine the capacity of MODIS in detecting the effect of shallow groundwater on land surface temperature and the surface energy balance in an area within Al-Balikh River basin in northern Syria, we studied the interrelationship between in-situ measured water table depths and land surface temperatures measured by MODIS. We, also, used the Surface Energy Balance System (SEBS to calculate surface energy fluxes, evaporative fraction and daily evaporation, and inspected their relationships with water table depths. We found out that the daytime temperature increased while the nighttime temperature decreased when the depth of the water table increased. And, when the water table depth increased, net radiation, latent and ground heat fluxes, evaporative fraction and daily evaporation decreased, while sensible heat flux increased. This concords with the findings of a companion paper (Alkhaier et al., 2012. The observed clear relationships were the result of meeting both conditions that were concluded in the companion paper, i.e. high potential evaporation and big contrast in day-night temperature. Moreover, the prevailing conditions in this study area helped SEBS to yield accurate estimates. Under bare soil conditions and under the prevailing weather conditions, we conclude that MODIS is suitable for detecting the effect of shallow groundwater because it has proper imaging times and adequate sensor accuracy; nevertheless, its coarse spatial resolution is disadvantageous.

  9. Reconnoitering the effect of shallow groundwater on land surface temperature and surface energy balance using MODIS and SEBS

    Science.gov (United States)

    Alkhaier, F.; Su, Z.; Flerchinger, G. N.

    2012-07-01

    The possibility of observing shallow groundwater depth and areal extent using satellite measurements can support groundwater models and vast irrigation systems management. Moreover, these measurements can help to include the effect of shallow groundwater on surface energy balance within land surface models and climate studies, which broadens the methods that yield more reliable and informative results. To examine the capacity of MODIS in detecting the effect of shallow groundwater on land surface temperature and the surface energy balance in an area within Al-Balikh River basin in northern Syria, we studied the interrelationship between in-situ measured water table depths and land surface temperatures measured by MODIS. We, also, used the Surface Energy Balance System (SEBS) to calculate surface energy fluxes, evaporative fraction and daily evaporation, and inspected their relationships with water table depths. We found out that the daytime temperature increased while the nighttime temperature decreased when the depth of the water table increased. And, when the water table depth increased, net radiation, latent and ground heat fluxes, evaporative fraction and daily evaporation decreased, while sensible heat flux increased. This concords with the findings of a companion paper (Alkhaier et al., 2012). The observed clear relationships were the result of meeting both conditions that were concluded in the companion paper, i.e. high potential evaporation and big contrast in day-night temperature. Moreover, the prevailing conditions in this study area helped SEBS to yield accurate estimates. Under bare soil conditions and under the prevailing weather conditions, we conclude that MODIS is suitable for detecting the effect of shallow groundwater because it has proper imaging times and adequate sensor accuracy; nevertheless, its coarse spatial resolution is disadvantageous.

  10. 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.

  11. 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.

  12. Surface water - groundwater interactions at different spatial and temporal scales

    DEFF Research Database (Denmark)

    Sebök, Éva

    As there is a growing demand for the protection and optimal management of both the surface water and groundwater resources, the understanding of their exchange processes is of great importance. This PhD study aimed at describing the natural spatial and temporal variability of these interactions...... detected large spatial variability in SWI temperatures with scattered high-discharge sites in a stream and also in a lake where discharge fluxes were estimated by vertical temperature profiles and seepage meter measurements. On the kilometre scale DTS indicated less spatial variability in streambed...

  13. Properties of water surface discharge at different pulse repetition rates

    Czech Academy of Sciences Publication Activity Database

    Ruma, R.; Hosseini, S.H.R.; Yoshihara, K.; Akiyama, M.; Sakugawa, T.; Lukeš, Petr; Akiyama, H.

    2014-01-01

    Roč. 116, č. 12 (2014), s. 123304-123304 ISSN 0021-8979 Grant - others:Rada Programu interní podpory projektů mezinárodní spolupráce AV ČR(CZ) M100431203 Program:M Institutional support: RVO:61389021 Keywords : plasma in air * water surface discharge * pulse frequency * hydrogen peroxide * organic dye Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 2.183, year: 2014 http://dx.doi.org/ 10.1063/1.4896266

  14. Characterizing Surface Energy Budget Components in Urban Regions Using Combination of Flux Tower Observations and Satellite Remote Sensing Measurements

    Science.gov (United States)

    Norouzi, H.; Vant-hull, B.; Ramamurthy, P.; Blake, R.; Prakash, D. S.

    2016-12-01

    Urban and built regions because of their lack of surface moisture and their surface impermeability significantly perform differently in surface energy budget than natural and non-urban regions. Characterizing the effect and the response of each surface type in the cities can help to increase our understanding of climate, anthropogenic heat, and urban heat islands. Both ground observations and remote sensing observations are important when the extent of the heat energy balance components in big cities is targeted. This is study aims to provide a novel approach to use ground observations and map the maxima and minima air temperature in New York City using satellite measurements. Complete energy balance stations are installed over distinct materials such as concrete, asphalt, and rooftops. The footprint of these stations is restricted to the individual materials. The energy balance stations monitor the sensible and latent heat fluxes through eddy covariance method. To account for the incoming and outgoing radiation, a 4-component radiometer is used that can observe both incoming and outgoing longwave and shortwave radiation. Moreover, satellite observations from Landsat 8 are utilized to classify the city surfaces to distinct defined surfaces where ground observations were performed. The mapped temperatures will be linked to MODIS surface temperatures to develop a model that can downscale MODIS skin temperatures to fine resolution air temperature over urban regions. The results are compared with ground observations, which they reveal a great potential of using synergetic use of flux tower observations and satellite measurement to study urban surface energy budget. The results of this study can enhance our understanding about urban heat islands as well as climate studies and their effects on the environment.

  15. Spatial Variation of Surface Energy Fluxes Due to Land Use Changes across China

    Directory of Open Access Journals (Sweden)

    Enjun Ma

    2014-04-01

    Full Text Available We estimate the heat flux changes caused by the projected land transformation over the next 40 years across China to improve the understanding of the impacts of land dynamics on regional climate. We use the Weather Research and Forecasting (WRF model to investigate these impacts in four representative land transformation zones, where reclamation, overgrazing, afforestation, and urbanization dominates the land use and land cover changes in each zone respectively. As indicated by the significant variance of albedo due to different land use and cover changes, different surface properties cause great spatial variance of the surface flux. From the simulation results, latent heat flux increases by 2 and 21 W/m2 in the reclamation and afforestation regions respectively. On the contrary, overgrazing and urban expansion results in decrease of latent heat flux by 5 and 36 W/m2 correspondingly. Urban expansion leads to an average increase of 40 W/m2 of sensible heat flux in the future 40 years, while reclamation, afforestation, as well as overgrazing result in the decrease of sensible heat flux. Results also show that reclamation and overgrazing lead to net radiation decrease by approximately 4 and 7 W/m2 respectively, however, afforestation and urbanization lead to net radiation increase by 6 and 3 W/m2 respectively. The simulated impacts of projected HLCCs on surface energy fluxes will inform sustainable land management and climate change mitigation.

  16. The analysis of security cost for different energy sources

    International Nuclear Information System (INIS)

    Jun, Eunju; Kim, Wonjoon; Chang, Soon Heung

    2009-01-01

    Global concerns for the security of energy have steadily been on the increase and are expected to become a major issue over the next few decades. Urgent policy response is thus essential. However, little attempt has been made at defining both energy security and energy metrics. In this study, we provide such metrics and apply them to four major energy sources in the Korean electricity market: coal, oil, liquefied natural gas, and nuclear. In our approach, we measure the cost of energy security in terms of supply disruption and price volatility, and we consider the degree of concentration in energy supply and demand using the Hirschman-Herfindahl index (HHI). Due to its balanced fuel supply and demand, relatively stable price, and high abundance, we find nuclear energy to be the most competitive energy source in terms of energy security in the Korean electricity market. LNG, on the other hand, was found to have the highest cost in term of energy security due to its high concentration in supply and demand, and its high price volatility. In addition, in terms of cost, we find that economic security dominates supply security, and as such, it is the main factor in the total security cost. Within the confines of concern for global energy security, our study both broadens our understanding of energy security and enables a strategic approach in the portfolio management of energy consumption.

  17. Effect of Shot Peening in Different Shot Distance and Shot Angle on Surface Morphology, Surface Roughness and Surface Hardness of 316L Biomaterial

    Science.gov (United States)

    Umbu Kondi Maliwemu, Erich; Malau, Viktor; Iswanto, Priyo Tri

    2018-01-01

    Shot peening is a mechanical surface treatment with a beneficial effect to generate compressive residual stress caused by plastic deformation on the surface of material. This plastic deformation can improve the surface characteristics of metallic materials, such as modification of surface morphology, surface roughness, and surface hardness. The objective of this study is to investigate the effect of shot peening in different shot distance and shot angle on surface morphology, surface roughness, and surface hardness of 316L biomaterial. Shot distance was varied at 6, 8, 10, and 12 cm and shot angle at 30, 60, and 90°, working pressure at 7 kg/cm2, shot duration for 20 minutes, and using steel balls S-170 with diameter of 0.6 mm. The results present that the shot distance and shot angle of shot peening give the significant effect to improve the surface morphology, surface roughness, and surface hardness of 316 L biomaterial. Shot peening can increase the surface roughness by the increasing of shot distance and by the decreasing of shot angle. The nearest shot distance (6 cm) and the largest shot angle (90°) give the best results on the grain refinement with the surface roughness of 1.04 μm and surface hardness of 534 kg/mm2.

  18. Surface wettability and energy effects on the biological performance of poly-3-hydroxybutyrate films treated with RF plasma

    Energy Technology Data Exchange (ETDEWEB)

    Syromotina, D.S. [Department of Experimental Physics, National Research Tomsk Polytechnic University, 634050 Tomsk (Russian Federation); Surmenev, R.A., E-mail: rsurmenev@gmail.com [Department of Experimental Physics, National Research Tomsk Polytechnic University, 634050 Tomsk (Russian Federation); Fraunhofer Institute for Interfacial Engineering and Biotechnology IGB, 70569 Stuttgart (Germany); Surmeneva, M.A. [Department of Experimental Physics, National Research Tomsk Polytechnic University, 634050 Tomsk (Russian Federation); Boyandin, A.N.; Nikolaeva, E.D. [Institute of Biophysics of Siberian Branch of Russian Academy of Sciences, 50/50 Akademgorodok, Krasnoyarsk 660036 (Russian Federation); School of Fundamental Biology and Biotechnology, Siberian Federal University, 79 Svobodny pr., 660041 Krasnoyarsk (Russian Federation); Prymak, O.; Epple, M. [Inorganic Chemistry and Center for Nanointegration Duisburg-Essen (CeNIDE), University of Duisburg-Essen, 45117 Essen (Germany); Ulbricht, M. [Technical Chemistry II and Center for Nanointegration Duisburg-Essen (CeNIDE), University of Duisburg-Essen, 45141 Essen (Germany); Oehr, C. [Fraunhofer Institute for Interfacial Engineering and Biotechnology IGB, 70569 Stuttgart (Germany); Volova, T.G. [Institute of Biophysics of Siberian Branch of Russian Academy of Sciences, 50/50 Akademgorodok, Krasnoyarsk 660036 (Russian Federation); School of Fundamental Biology and Biotechnology, Siberian Federal University, 79 Svobodny pr., 660041 Krasnoyarsk (Russian Federation)

    2016-05-01

    The surface properties of poly-3-hydroxybutyrate (P3HB) membranes were modified using oxygen and an ammonia radio-frequency (RF, 13.56 MHz) plasma. The plasma treatment procedures used in the study only affected the surface properties, including surface topography, without inducing any significant changes in the crystalline structure of the polymer, with the exception being a power level of 250 W. The wettability of the modified P3HB surfaces was significantly increased after the plasma treatment, irrespective of the treatment procedure used. It was revealed that both surface chemistry and surface roughness changes caused by the plasma treatment affected surface wettability. A treatment-induced surface aging effect was observed and resulted in an increase in the water contact angle and a decrease in the surface free energy. However, the difference in the water contact angle between the polymers that had been treated for 4 weeks and the untreated polymer surfaces was still significant. A dependence between cell adhesion and proliferation and the polar component of the surface energy was revealed. The increase in the polar component after the ammonia plasma modification significantly increased cell adhesion and proliferation on biodegradable polymer surfaces compared to the untreated P3HB and the P3HB modified using an oxygen plasma. - Highlights: • Plasma treatment affected the topography of poly(3-hydroxybutyrate) (P3HB). • Plasma treatment resulted in improvement of the surface wettability. • No alteration of the bulk properties of the polymers was observed. • The ammonia plasma treatment at 150 W improved the cell adhesion and proliferation.

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

    International Nuclear Information System (INIS)

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

    2014-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-10-28

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

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

    Science.gov (United States)

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

    2010-10-12

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

  2. Field use of D218O to measure energy expenditure of soldiers at different energy intakes

    International Nuclear Information System (INIS)

    DeLany, J.P.; Schoeller, D.A.; Hoyt, R.W.; Askew, E.W.; Sharp, M.A.

    1989-01-01

    To test the application of doubly labeled water under adverse field conditions, energy expenditures of 16 special operations soldiers were measured during a 28-day field training exercise. Subjects were matched by fat-free mass and divided equally between an ad libitum ready-to-eat meal diet and a 2,000 kcal/day lightweight ration. Subjects recorded intakes daily, and body composition was measured before and after the exercise. At the beginning of the study, subjects moved to a new northerly location and, therefore, a new water supply. To compensate for this, a group of soldiers who did not receive heavy water was followed to measure isotopic base-line changes. Energy expenditure by doubly labeled water was in agreement with intake/balance (3,400 ± 260 vs. 3,230 ± 520 kcal/day). The overall coefficient of variation of energy expenditure by doubly labeled water was half that of intake/balance (7.6 vs. 16.1%). The coefficient of variation of repeat measures with doubly labeled water was 7.3%. Energy expenditure of the ready-to-eat meal group, 3,540 ± 180 kcal/day, was not significantly different from the lightweight ration group, 3,330 ± 301 kcal/day. Doubly labeled water was valid under field conditions

  3. Responses of Surface Energy Partition to Climatic Factors: A Comparison Over Two Types of Underlying Surfaces in Qinghai-Xizang Plateau

    Science.gov (United States)

    Yu, Y.; Xie, J.; Xia, D.

    2017-12-01

    Sensible and latent heat fluxes are energy ties that connect the land surface and the atmosphere through tightly coupling soil moisture to temperature and precipitation. The response of surface energy partitioning into sensible and latent heat fluxes to climatic factors is extremely complex and significantly different in different regions. The Qinghai-Tibetan Plateau, known as the "roof of the world", has an average elevation of more than 4000 m and an area of about 2.57 x 106 km2 . Due to its high elevation, much less column air mass, and strong solar radiation, the land-atmosphere interaction is very strong over the plateau. In this study, surface observations at two sites with distinctively different surface conditions (nearly bare vs alpine grassland) over Qinghai-Xizang Plateau were obtained in 2014. A combinatorial stratification method was used to compare and analysis the direct and indirect effects of soil water content (SWC), net radiation (Rnet) and vapor pressure deficit (VPD) on surface energy partitioning at the two sites, and a path analysis method was used to study the key climatic factors influencing surface energy partition over the two different underlying surfaces. Results show that the responses of evaporative fraction (EF) to SWC stayed in soil moisture-limited regime at the nearly bare site while it is energy-limited at the alpine grassland. EF grows faster with SWC when VPD was high and Rnet had little impact on the variation of EF with SWC at the bare ground site. The variation of EF with SWC is not influenced by VPD and Rnet at the alpine grassland. EF decreases at first and then tends to be stable as VPD increases, and the sensitive of EF to VPD reduced when SWC becomes larger and it is independent of Rnet at the bare ground site. EF increases slightly at first and then tends to be stable as VPD increases and the trend is not influenced by SWC and Rnet at the alpine grassland. EF tends to be stable as Rnet increases and the stable values

  4. Role of different Skyrme forces and surface corrections in exotic ...

    Indian Academy of Sciences (India)

    Skyrme forces. Our study reveals that different Skyrme forces do not alter the transfer structure of fractional yields significantly. The cluster decay half-lives of different clusters lie within ±10% for preformed cluster models (PCM) and ±15% for unified fission models (UFM). Keywords. Heavy-ion reactions; cluster decay.

  5. Relationships between surface energy analysis and functional characteristics of dairy powders.

    Science.gov (United States)

    Kondor, Anett; Hogan, Sean A

    2017-12-15

    Surface energetics of demineralised whey (DMW), skimmed milk (SMP), phosphocasein (PCN) and infant milk formula (IMF) powders were determined by inverse gas chromatography (IGC). All four milk powders were amphoteric in nature with the dispersive (apolar) component of surface energy dominating the specific (polar) contribution. PCN and IMF had the highest and lowest extent of surface heterogeneity, respectively. PCN also demonstrated the poorest functional properties of the powders examined. In contrast, IMF had excellent flow and rehydration properties. Thermodynamic work of cohesion was highest in PCN and may have contributed to inadequate rehydration behaviour. Glass transition temperature of IMF powder, determined by IGC, suggested a surface dominated by lactose. Surface heterogeneity provided a better indicator of functional behaviour than total surface energy. IGC is a useful complementary technique for chemical and structural analysis of milk powders and allows improved insight into the contribution of surface and bulk factors to functionality. Copyright © 2017 Elsevier Ltd. All rights reserved.

  6. Energy utitlzation by broilers fed different micro-nutrient mixtures ...

    African Journals Online (AJOL)

    Feeding micro-nutrient mixture B improved energy efficiency. It was concluded that the poor performance and the poor energy efficiency of C-fed broilers was as a result of the micronutrient imbalance of the mixture since the mixture is deficient in Zinc and four B-vitamins that affect energy utilization. It also contains ...

  7. Comparison of different lateral acceleration autopilots for a surface-to-surface missile

    Directory of Open Access Journals (Sweden)

    Danilo V. Ćuk

    2011-07-01

    Full Text Available This paper presents a comparison of three lateral acceleration autopilots for a surface-to-surface missile: three-loop conventional acceleration autopilot, and gamma-dot and three-loop acceleration autopilot based upon the inverse-dynamic control. The surface-to-surface missile motion is described by nonlinear differential equations whose parameters change rapidly over a very wide range due to variable velocity and altitude. The requirement for the accurate controlling of the missile in such an environment represents a challenge for the autopilot designer. The brief review of the calculation of the autopilot gains is given using the concept of the 'point' stability for the linear time-varying system with 'frozen' dynamic coefficients. The method of the inverse-dynamic control is presented in the next section for two types of the autopilots: gamma-dot and acceleration autopilot. Both of them require the design of the estimators for the variables used as inputs to the control law. Finally, six-degree-of-freedom simulation results of the missile response to the demanded command on the typical ballistic trajectory are presented. The comparison of three autopilots considers the steady state errors and the sensitivity of the response to the highly variable environment. It was shown that the inverse-dynamic control can be very effective in the controlling of the surface-to-surface missile.

  8. Experimental design to measure the anchoring energy on substrate surface by using the alternating-current bridge

    International Nuclear Information System (INIS)

    Hao Hui-Ming; Liu Yao-Yao; Zhang Ping; Zhu Ji-Liang; Ye Wen-Jiang; Cai Ming-Lei; Wang Xiao-Yan

    2017-01-01

    The anchoring property of the substrate surface of liquid crystal cells plays an important role in display and nondisplay fields. This property directly affects the deformation of liquid crystal molecules to change the phase difference through liquid crystal cells. In this paper, a test method based on the alternating-current bridge is proposed to determine the capacitance of liquid crystal cells and thus measure the anchoring energy of the substrate surface. The anchoring energy can be obtained by comparing the capacitance–voltage curves of twisted nematic liquid crystal cells with different anchoring properties in experimental and theoretical results simulated on the basis of Frank elastic theory. Compared with the other methods to determine the anchoring energy, our proposed method requires a simple treatment of liquid crystal cells and allows easy and high-accuracy measurements, thereby expanding the test ideas on the performance parameters of liquid crystal devices. (paper)

  9. Supplementation of grazing suckling beef calves receiving different energy sources

    Directory of Open Access Journals (Sweden)

    Josilaine Aparecida da Costa Lima

    2016-06-01

    Full Text Available The aim of this study was to evaluate the effect of different energy sources - corn, sorghum, and wheat bran - on performance, intake, digestibility, and nitrogen utilization efficiency of beef calves subjected to creep feeding. Thirty-four calves (12 males and 22 females with initial age and weight of four months and 108±3.9 kg, respectively, were used in a randomized-block experimental design with four treatments and two blocks (males and females. Treatments were control (MM, a mineral mixture ad libitum; corn (C; corn + sorghum (C+S; and corn + sorghum + wheat bran (C+S+WB. Supplements contained approximately 20% crude protein (CP, and were fed in the amount of 0.5% of body weight. Supplemented animals had higher performance (P < 0.05 when compared with those on treatment MM. Supplementation increased (P < 0.05 the intakes of dry matter (DM, organic matter (OM, crude protein (CP, neutral detergent fiber corrected for ash and protein (NDFap, non-fibrous carbohydrates (NFC, digestible neutral detergent fiber (dNDF, and digestible organic matter (dOM. The digestibility of NFC was higher (P < 0.05 in the supplemented treatments. The C+S and C+S+WB treatments provided increased digestibility (P < 0.05 of OM, CP, and NDFap. The synthesis of nitrogen compounds was higher (P < 0.05 in animals on treatment C as compared with those on the other supplemented treatments. Animals on treatments C+S and C+S+WB had higher (P < 0.05 nitrogen utilization efficiency compared with those on the other treatments. Concentrate supplementation improved the animal performance. The use of other energy sources (sorghum or wheat bran in association with corn is recommended for suckling calves.

  10. Nanoscale cellulose films with different crystallinities and mesostructures--their surface properties and interaction with water.

    Science.gov (United States)

    Aulin, Christian; Ahola, Susanna; Josefsson, Peter; Nishino, Takashi; Hirose, Yasuo; Osterberg, Monika; Wågberg, Lars

    2009-07-07

    A systematic study of the degree of molecular ordering and swelling of different nanocellulose model films has been conducted. Crystalline cellulose II surfaces were prepared by spin-coating of the precursor cellulose solutions onto oxidized silicon wafers before regeneration in water or by using the Langmuir-Schaefer (LS) technique. Amorphous cellulose films were also prepared by spin-coating of a precursor cellulose solution onto oxidized silicon wafers. Crystalline cellulose I surfaces were prepared by spin-coating wafers with aqueous suspensions of sulfate-stabilized cellulose I nanocrystals and low-charged microfibrillated cellulose (LC-MFC). In addition, a dispersion of high-charged MFC was used for the buildup of polyelectrolyte multilayers with polyetheyleneimine on silica with the aid of the layer-by-layer (LbL) technique. These preparation methods produced smooth thin films on the nanometer scale suitable for X-ray diffraction and swelling measurements. The surface morphology and thickness of the cellulose films were characterized in detail by atomic force microscopy (AFM) and ellipsometry measurements, respectively. To determine the surface energy of the cellulose surfaces, that is, their ability to engage in different interactions with different materials, they were characterized through contact angle measurements against water, glycerol, and methylene iodide. Small incidence angle X-ray diffraction revealed that the nanocrystal and MFC films exhibited a cellulose I crystal structure and that the films prepared from N-methylmorpholine-N-oxide (NMMO), LiCl/DMAc solutions, using the LS technique, possessed a cellulose II structure. The degree of crystalline ordering was highest in the nanocrystal films (approximately 87%), whereas the MFC, NMMO, and LS films exhibited a degree of crystallinity of about 60%. The N,N-dimethylacetamide (DMAc)/LiCl film possessed very low crystalline ordering (cellulose, and electrostatic charge of the MFC. The swelling of

  11. Urban energy consumption: Different insights from energy flow analysis, input–output analysis and ecological network analysis

    International Nuclear Information System (INIS)

    Chen, Shaoqing; Chen, Bin

    2015-01-01

    Highlights: • Urban energy consumption was assessed from three different perspectives. • A new concept called controlled energy was developed from network analysis. • Embodied energy and controlled energy consumption of Beijing were compared. • The integration of all three perspectives will elucidate sustainable energy use. - Abstract: Energy consumption has always been a central issue for sustainable urban assessment and planning. Different forms of energy analysis can provide various insights for energy policy making. This paper brought together three approaches for energy consumption accounting, i.e., energy flow analysis (EFA), input–output analysis (IOA) and ecological network analysis (ENA), and compared their different perspectives and the policy implications for urban energy use. Beijing was used to exemplify the different energy analysis processes, and the 42 economic sectors of the city were aggregated into seven components. It was determined that EFA quantifies both the primary and final energy consumption of the urban components by tracking the different types of fuel used by the urban economy. IOA accounts for the embodied energy consumption (direct and indirect) used to produce goods and services in the city, whereas the control analysis of ENA quantifies the specific embodied energy that is regulated by the activities within the city’s boundary. The network control analysis can also be applied to determining which economic sectors drive the energy consumption and to what extent these sectors are dependent on each other for energy. So-called “controlled energy” is a new concept that adds to the analysis of urban energy consumption, indicating the adjustable energy consumed by sectors. The integration of insights from all three accounting perspectives further our understanding of sustainable energy use in cities

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

    OpenAIRE

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

    2013-01-01

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

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

    Directory of Open Access Journals (Sweden)

    Prokhorenko Valentyn I.

    2013-03-01

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

  14. Near-surface circulation and kinetic energy in the tropical Indian Ocean derived from lagrangian drifters

    Digital Repository Service at National Institute of Oceanography (India)

    Shenoi, S.S.C.; Saji, P.K.; Almeida, A.M.

    Trajectories of 412 satellite-tracked drifting buoys deployed in the tropical Indian Ocean have been analyzed to document the surface circulation and kinetic energy field. Only drifters drogued at 15 m depth and having drag area ratio greater than...

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

    Science.gov (United States)

    Sibaev, Marat; Crittenden, Deborah L

    2015-11-05

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

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

    International Nuclear Information System (INIS)

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

    1994-01-01

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

  17. Relation between bulk compressibility and surface energy of electron-hole liquids

    International Nuclear Information System (INIS)

    Singwi, K.S.; Tosi, M.P.

    1979-08-01

    Attention is drawn to the existence of an empirical relation chiσ/asup(*)sub(B) approximately 1 between the compressibility, the surface energy and the excitonic radius in electron-hole liquids. (author)

  18. Characterization of Polymer Surfaces by the Use of Different Wetting Theories Regarding Acid-Base Properties

    Directory of Open Access Journals (Sweden)

    Eduard Kraus

    2017-01-01

    Full Text Available The existing wetting methods for the determination of acid-base properties on solid surfaces are discussed. Striving for a better understanding of the adhesive polymer interactions in adhesively joined polymers, the methods of Berger and van Oss-Chaudhury-Good were found as the most suitable methods for the investigation of wetting on solid polymer surfaces. Methods of nonlinear systems by Della Volpe and Siboni were adapted and evaluated on plastic surfaces. In the context of these investigations various data of the surface free energy as well as its components have been identified for a number of polymer surfaces by application of spatial equation solutions.

  19. Laser treatment of dental ceramic/cement layers: transmitted energy, temperature effects and surface characterisation.

    Science.gov (United States)

    Pich, Olena; Franzen, René; Gutknecht, Norbert; Wolfart, Stefan

    2015-02-01

    In the present paper, we investigate the behaviour of different dental materials under laser irradiation. We have used e.max Ceram, e.max ZirCAD, and e.max Press dental ceramics and glass ionomer cement Ketac Cem in the present study. The dental ceramics were prepared in the form of samples with thickness of 0.5-2 mm. We used two lasers [solid-state laser (Er:YAG, Fidelis III+, Fotona) and an 810- nm diode laser (FOX, A.R.C)] for the transillumination of ceramic samples. It has been shown that the laser energy transmitted through the ceramic material decreases to 30-40% of the original values along with an increase in the thickness of the irradiated sample. Pigmented ceramic samples show more laser energy loss compared to the samples containing no pigment. We investigated the temperature evolution in composite sandwiched ceramic/cement samples under laser treatment. The increase in the irradiation time and laser power led to a temperature increase of up to 80 °C. The surfaces of irradiated ceramic samples were examined with X-ray photoelectron spectroscopy to evaluate changes in chemical composition, such as a decrease in the C signal, accompanied by a strong increase in the Zr peak for the Er:YAG laser, while the 810-nm diode laser showed no change in the ratio of elements on the surface.

  20. Low energy ionization effect of He atoms at surfaces

    Science.gov (United States)

    Muda, Y.; Newns, D. M.

    1988-06-01

    The low energy ionization effect, which seems so surprising on the basis of the Massey criterion, has been explained by a dynamical calculation working with a diabatic 1s level of He whose behaviour is determined from the projectile-target correlation diagram. Quasi-realistic hopping matrix elements and the He trajectory based on a Molière potential are employed. Using a spinless time dependent Newns-Anderson Hamiltonian, the ionization probability Pion has been calculated exactly within the present model by the method of Muda and Hanawa. It is found that Pion amounts to a significant value even at low incident energies ( E0) below 1 keV in He → Si collision, where the Si substrate is represented by a linear chain (LC) of 30 Si 3s orbitals. In He → Cu collision, where the Cu substrate is approximated by a LC of 30 Cu 4s orbitals, Pion is very small for E0 below 1 keV, but it is appreciable above 1 keV. The ratio of Pion( Cu)/ Pion(Si) in the region 1 ≦ E0 ≦ 2 keV is in good agreement with that derived from a recent experiment.

  1. Protein-Nanoparticle Interactions: Improving Immobilized Lytic Enzyme Activity and Surface Energy Effects

    Science.gov (United States)

    Downs, Emily Elizabeth

    Protein-nanostructure conjugates, particularly particles, are a subject of significant interest due to changes in their fundamental behavior compared to bulk surfaces. As the size scale of nano-structured materials and proteins are on the same order of magnitude, nanomaterial properties can heavily influence how proteins adsorb and conform to the surface. Previous work has demonstrated the ability of nanoscale surfaces to modulate protein activity, conformation, and retention by modifying the particle surface curvature, morphology, and surface charge. This work has improved our understanding of the protein material interactions, but a complete understanding is still lacking. The goal of this thesis is to investigate two missing areas of understanding using two distinct systems. The first system utilizes a particle with controlled surface energy to observe the impact of surface energy on protein-particle interactions, while the second system uses a modified Listeria-specific protein to determine how protein structure and flexibility affects protein adsorption and activity on particles. Spherical, amorphous, and uniformly doped Zn-silica particles with tailored surface energies were synthesized to understand the impact of surface energy on protein adsorption behavior. Particle surface energy increased with a decrease in particle size and greater dopant concentrations. Protein adsorption and structural loss increased with both particle size and particle surface energy. Higher surface energies promoted protein-particle association and increased protein unfolding. Particle curvature and protein steric hindrance effects limited adsorption and structural loss on smaller particles. Protein surface charge heterogeneity was also found to be linked to both protein adsorption and unfolding behavior on larger particles. Greater surface charge heterogeneity led to higher adsorption concentrations and multilayer formation. These multilayers transitioned from protein

  2. Energy

    International Nuclear Information System (INIS)

    Meister, F.

    2001-01-01

    This chapter of the environmental control report deals with the environmental impact of energy production, energy conversion, atomic energy and renewable energy. The development of the energy consumption in Austria for the years 1993 to 1999 is given for the different energy types. The development of the use of renewable energy sources in Austria is given, different domestic heat-systems are compared, life cycles and environmental balance are outlined. (a.n.)

  3. Surface dispersive energy determined with IGC-ID in anti-graffiti-coated building materials

    OpenAIRE

    Carmona-Quiroga, Paula María; Rubio, J.; Sánchez, M. Jesús; Martínez-Ramírez, S.; Blanco-Varela, María Teresa

    2011-01-01

    Coating building materials with anti-graffiti treatments hinders or prevents spray paint adherence by generating low energy surfaces. This paper describes the effect of coating cement paste, lime mortar, granite, limestone and brick with two anti-graffiti agents (a water-base fluoroalkylsiloxane, “Protectosil Antigraffiti®”, and a Zr ormosil) on the dispersive component of the surface energy of these five construction materials. The agents were rediluted in their respective solvents at concen...

  4. Finite-difference Time-domain Modeling of Laser-induced Periodic Surface Structures

    NARCIS (Netherlands)

    Römer, Gerardus Richardus, Bernardus, Engelina; Skolski, J.Z.P.; Vincenc Obona, J.; Huis in 't Veld, Bert

    2014-01-01

    Laser-induced periodic surface structures (LIPSSs) consist of regular wavy surface structures with amplitudes the (sub)micrometer range and periodicities in the (sub)wavelength range. It is thought that periodically modulated absorbed laser energy is initiating the growth of LIPSSs. The “Sipe

  5. ENERGY EFFICIENCY OF DIFFERENT WAYS OF CENTRAL HEATING

    Directory of Open Access Journals (Sweden)

    A. E. Piir

    2015-01-01

    Full Text Available  The article shows the calculation comparison of fuel for producing of heat-line water with a help of different technological installations, transforming (converting high-grade heat from burning process of fuel or in the process of non-reversible heat exchange with coolant (heating agent, or with a help of heat engines, which allow to decrease losses of working efficiency and thus to reduce the use of fuel. There were considered five types of plants beginning from the  simplest  one  up  to  the  most  complex  in  two  variants,  when  the  heat  exchangers and machines are perfect (ideal and when equipment has the known degree of efficiency (perfection:1 water-heat boiler station, working on organic fuel;2 electrical boiler station, obtaining energy on power transmission lines from condensing power station;3 line heater of TPP, obtaining steam from heating turbine;4 line heater CPP, powered by steam from pressure reducing unit;5 heat pump, producing energy on power supply lines from TPP.In this article were investigated three ideal reversible ways of transformation of   high- grade heat into low-grade heat with a help of decreasing and increasing and combined (suggested by the authors heat transformers and their thermodynamic equivalence was shown in this article. And there were suggested universal installation for electric energy generation, cold and heat of two grades for heat-water supply and the heating process on the base of gascompressors   gas turbines. These results are so important (actual for power engineers of the countries with  increasing consumption  of organic  fuel and  its enhancement in  value and realizing programs of energy saving .The analysis shows, that the quality of produced low-grade heat per unit of used high-grade heat for ideal plants (installations is: electrical boiler unit – 0.7;  water boiler unit – 1.0; for heat pump, heating turbine, combined heat transformers   – 4

  6. A DFT based method for calculating the surface energies of asymmetric MoP facets

    Science.gov (United States)

    Tian, Xinxin; Wang, Tao; Fan, Lifang; Wang, Yuekui; Lu, Haigang; Mu, Yuewen

    2018-01-01

    MoP is a promising catalyst in heterogeneous catalysis. Understanding its surface stability and morphology is the first and essential step in exploring its catalytic properties. However, traditional surface energy calculation method does not work for the asymmetric termination of MoP. In this work, we reported a useful DFT based method to get the surface energies of asymmetric MoP facets. Under ideal condition, the (101) sur